# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/096674bb-9027-44d2-ab2f-d92cb02f3af6/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 AgSb(S8F3)2 / C2/c (15) / materials id 559602](https://mdr.nims.go.jp/datasets/234de17b-8b78-4cb7-aeb3-a9bbd7ce9965) ## 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: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.621840700000000, -3.942356100000000, -0.139621860000000 ] # a - [ 8.621840700000000, 3.942356100000000, -0.139621860000000 ] # b - [ -3.293625990000000, 0.000000000000000, 15.592731440000000 ] # c points: - symbol: Ag # 1 coordinates: [ 0.163987630000000, 0.836012370000000, 0.250000000000000 ] mass: 107.868200 - symbol: Ag # 2 coordinates: [ 0.836012370000000, 0.163987630000000, 0.750000000000000 ] mass: 107.868200 - symbol: Sb # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 121.760000 - symbol: Sb # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 121.760000 - symbol: S # 5 coordinates: [ 0.717435900000000, 0.904783320000000, 0.077786590000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.297445640000000, 0.004166380000000, 0.441567210000000 ] mass: 32.065000 - symbol: S # 7 coordinates: [ 0.105373830000000, 0.695741670000000, 0.668127520000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.629272630000000, 0.043833330000000, 0.832983230000000 ] mass: 32.065000 - symbol: S # 9 coordinates: [ 0.304258330000000, 0.894626170000000, 0.831872480000000 ] mass: 32.065000 - symbol: S # 10 coordinates: [ 0.937652560000000, 0.902955120000000, 0.351001710000000 ] mass: 32.065000 - symbol: S # 11 coordinates: [ 0.771372520000000, 0.490773760000000, 0.758569030000000 ] mass: 32.065000 - symbol: S # 12 coordinates: [ 0.062347440000000, 0.097044880000000, 0.648998290000000 ] mass: 32.065000 - symbol: S # 13 coordinates: [ 0.490773760000000, 0.771372520000000, 0.258569030000000 ] mass: 32.065000 - symbol: S # 14 coordinates: [ 0.509226240000000, 0.228627480000000, 0.741430970000000 ] mass: 32.065000 - symbol: S # 15 coordinates: [ 0.695741670000000, 0.105373830000000, 0.168127520000000 ] mass: 32.065000 - symbol: S # 16 coordinates: [ 0.894626170000000, 0.304258330000000, 0.331872480000000 ] mass: 32.065000 - symbol: S # 17 coordinates: [ 0.902955120000000, 0.937652560000000, 0.851001710000000 ] mass: 32.065000 - symbol: S # 18 coordinates: [ 0.282564100000000, 0.095216680000000, 0.922213410000000 ] mass: 32.065000 - symbol: S # 19 coordinates: [ 0.702554360000000, 0.995833620000000, 0.558432790000000 ] mass: 32.065000 - symbol: S # 20 coordinates: [ 0.370727370000000, 0.956166670000000, 0.167016770000000 ] mass: 32.065000 - symbol: S # 21 coordinates: [ 0.004166380000000, 0.297445640000000, 0.941567210000000 ] mass: 32.065000 - symbol: S # 22 coordinates: [ 0.956166670000000, 0.370727370000000, 0.667016770000000 ] mass: 32.065000 - symbol: S # 23 coordinates: [ 0.926809080000000, 0.327263580000000, 0.213851420000000 ] mass: 32.065000 - symbol: S # 24 coordinates: [ 0.097044880000000, 0.062347440000000, 0.148998290000000 ] mass: 32.065000 - symbol: S # 25 coordinates: [ 0.327263580000000, 0.926809080000000, 0.713851420000000 ] mass: 32.065000 - symbol: S # 26 coordinates: [ 0.073190920000000, 0.672736420000000, 0.786148580000000 ] mass: 32.065000 - symbol: S # 27 coordinates: [ 0.995833620000000, 0.702554360000000, 0.058432790000000 ] mass: 32.065000 - symbol: S # 28 coordinates: [ 0.111955870000000, 0.477280890000000, 0.122881870000000 ] mass: 32.065000 - symbol: S # 29 coordinates: [ 0.477280890000000, 0.111955870000000, 0.622881870000000 ] mass: 32.065000 - symbol: S # 30 coordinates: [ 0.095216680000000, 0.282564100000000, 0.422213410000000 ] mass: 32.065000 - symbol: S # 31 coordinates: [ 0.228627480000000, 0.509226240000000, 0.241430970000000 ] mass: 32.065000 - symbol: S # 32 coordinates: [ 0.522719110000000, 0.888044130000000, 0.377118130000000 ] mass: 32.065000 - symbol: S # 33 coordinates: [ 0.888044130000000, 0.522719110000000, 0.877118130000000 ] mass: 32.065000 - symbol: S # 34 coordinates: [ 0.672736420000000, 0.073190920000000, 0.286148580000000 ] mass: 32.065000 - symbol: S # 35 coordinates: [ 0.043833330000000, 0.629272630000000, 0.332983230000000 ] mass: 32.065000 - symbol: S # 36 coordinates: [ 0.904783320000000, 0.717435900000000, 0.577786590000000 ] mass: 32.065000 - symbol: F # 37 coordinates: [ 0.290664030000000, 0.754064810000000, 0.979278830000000 ] mass: 18.998403 - symbol: F # 38 coordinates: [ 0.345011860000000, 0.433328360000000, 0.959940200000000 ] mass: 18.998403 - symbol: F # 39 coordinates: [ 0.709335970000000, 0.245935190000000, 0.020721170000000 ] mass: 18.998403 - symbol: F # 40 coordinates: [ 0.550787380000000, 0.432931680000000, 0.614589830000000 ] mass: 18.998403 - symbol: F # 41 coordinates: [ 0.566671640000000, 0.654988140000000, 0.540059800000000 ] mass: 18.998403 - symbol: F # 42 coordinates: [ 0.432931680000000, 0.550787380000000, 0.114589830000000 ] mass: 18.998403 - symbol: F # 43 coordinates: [ 0.449212620000000, 0.567068320000000, 0.385410170000000 ] mass: 18.998403 - symbol: F # 44 coordinates: [ 0.433328360000000, 0.345011860000000, 0.459940200000000 ] mass: 18.998403 - symbol: F # 45 coordinates: [ 0.754064810000000, 0.290664030000000, 0.479278830000000 ] mass: 18.998403 - symbol: F # 46 coordinates: [ 0.567068320000000, 0.449212620000000, 0.885410170000000 ] mass: 18.998403 - symbol: F # 47 coordinates: [ 0.245935190000000, 0.709335970000000, 0.520721170000000 ] mass: 18.998403 - symbol: F # 48 coordinates: [ 0.654988140000000, 0.566671640000000, 0.040059800000000 ] mass: 18.998403 reciprocal_lattice: # without 2pi - [ 0.058191307464368, -0.126827710972127, 0.012291650336839 ] # a* - [ 0.058191307464368, 0.126827710972127, 0.012291650336839 ] # b* - [ 0.001042123840236, 0.000000000000000, 0.064352571582866 ] # c*unit_cell: lattice: - [ 17.243681400000000, 0.000000000000000, -0.279243720000000 ] # a - [ 0.000000000000000, 7.884712200000000, 0.000000000000000 ] # b - [ -3.293625990000000, 0.000000000000000, 15.592731440000000 ] # c points: - symbol: Ag # 1 coordinates: [ 0.000000000000000, 0.836012370000000, 0.250000000000000 ] mass: 107.868200 reduced_to: 1 - symbol: Ag # 2 coordinates: [ 0.000000000000000, 0.163987630000000, 0.750000000000000 ] mass: 107.868200 reduced_to: 2 - symbol: Ag # 3 coordinates: [ 0.500000000000000, 0.336012370000000, 0.250000000000000 ] mass: 107.868200 reduced_to: 1 - symbol: Ag # 4 coordinates: [ 0.500000000000000, 0.663987630000000, 0.750000000000000 ] mass: 107.868200 reduced_to: 2 - symbol: Sb # 5 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 5 - symbol: Sb # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 6 - symbol: Sb # 7 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 5 - symbol: Sb # 8 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 6 - symbol: S # 9 coordinates: [ 0.311109610000000, 0.593673710000000, 0.077786590000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.150806010000000, 0.853360370000000, 0.441567210000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.400557750000000, 0.295183920000000, 0.668127520000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.336552980000000, 0.707280350000000, 0.832983230000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 13 coordinates: [ 0.099442250000000, 0.795183920000000, 0.831872480000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.420303840000000, 0.482651280000000, 0.351001710000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 15 coordinates: [ 0.131073140000000, 0.359700620000000, 0.758569030000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 16 coordinates: [ 0.079696160000000, 0.017348720000000, 0.648998290000000 ] mass: 32.065000 reduced_to: 16 - symbol: S # 17 coordinates: [ 0.131073140000000, 0.640299380000000, 0.258569030000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.368926860000000, 0.859700620000000, 0.741430970000000 ] mass: 32.065000 reduced_to: 18 - symbol: S # 19 coordinates: [ 0.400557750000000, 0.704816080000000, 0.168127520000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.099442250000000, 0.204816080000000, 0.331872480000000 ] mass: 32.065000 reduced_to: 20 - symbol: S # 21 coordinates: [ 0.420303840000000, 0.517348720000000, 0.851001710000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 22 coordinates: [ 0.188890390000000, 0.906326290000000, 0.922213410000000 ] mass: 32.065000 reduced_to: 22 - symbol: S # 23 coordinates: [ 0.349193990000000, 0.646639630000000, 0.558432790000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 24 coordinates: [ 0.163447020000000, 0.792719650000000, 0.167016770000000 ] mass: 32.065000 reduced_to: 24 - symbol: S # 25 coordinates: [ 0.150806010000000, 0.146639630000000, 0.941567210000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.163447020000000, 0.207280350000000, 0.667016770000000 ] mass: 32.065000 reduced_to: 26 - symbol: S # 27 coordinates: [ 0.127036330000000, 0.200227250000000, 0.213851420000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 28 coordinates: [ 0.079696160000000, 0.982651280000000, 0.148998290000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 29 coordinates: [ 0.127036330000000, 0.799772750000000, 0.713851420000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.372963670000000, 0.299772750000000, 0.786148580000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 31 coordinates: [ 0.349193990000000, 0.353360370000000, 0.058432790000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.294618380000000, 0.182662510000000, 0.122881870000000 ] mass: 32.065000 reduced_to: 32 - symbol: S # 33 coordinates: [ 0.294618380000000, 0.817337490000000, 0.622881870000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.188890390000000, 0.093673710000000, 0.422213410000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 35 coordinates: [ 0.368926860000000, 0.140299380000000, 0.241430970000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 36 coordinates: [ 0.205381620000000, 0.682662510000000, 0.377118130000000 ] mass: 32.065000 reduced_to: 36 - symbol: S # 37 coordinates: [ 0.205381620000000, 0.317337490000000, 0.877118130000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.372963670000000, 0.700227250000000, 0.286148580000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 39 coordinates: [ 0.336552980000000, 0.292719650000000, 0.332983230000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.311109610000000, 0.406326290000000, 0.577786590000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 41 coordinates: [ 0.811109610000000, 0.093673710000000, 0.077786590000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 42 coordinates: [ 0.650806010000000, 0.353360370000000, 0.441567210000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 43 coordinates: [ 0.900557750000000, 0.795183920000000, 0.668127520000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 44 coordinates: [ 0.836552980000000, 0.207280350000000, 0.832983230000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 45 coordinates: [ 0.599442250000000, 0.295183920000000, 0.831872480000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 46 coordinates: [ 0.920303840000000, 0.982651280000000, 0.351001710000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 47 coordinates: [ 0.631073140000000, 0.859700620000000, 0.758569030000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 48 coordinates: [ 0.579696160000000, 0.517348720000000, 0.648998290000000 ] mass: 32.065000 reduced_to: 16 - symbol: S # 49 coordinates: [ 0.631073140000000, 0.140299380000000, 0.258569030000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 50 coordinates: [ 0.868926860000000, 0.359700620000000, 0.741430970000000 ] mass: 32.065000 reduced_to: 18 - symbol: S # 51 coordinates: [ 0.900557750000000, 0.204816080000000, 0.168127520000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 52 coordinates: [ 0.599442250000000, 0.704816080000000, 0.331872480000000 ] mass: 32.065000 reduced_to: 20 - symbol: S # 53 coordinates: [ 0.920303840000000, 0.017348720000000, 0.851001710000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 54 coordinates: [ 0.688890390000000, 0.406326290000000, 0.922213410000000 ] mass: 32.065000 reduced_to: 22 - symbol: S # 55 coordinates: [ 0.849193990000000, 0.146639630000000, 0.558432790000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 56 coordinates: [ 0.663447020000000, 0.292719650000000, 0.167016770000000 ] mass: 32.065000 reduced_to: 24 - symbol: S # 57 coordinates: [ 0.650806010000000, 0.646639630000000, 0.941567210000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 58 coordinates: [ 0.663447020000000, 0.707280350000000, 0.667016770000000 ] mass: 32.065000 reduced_to: 26 - symbol: S # 59 coordinates: [ 0.627036330000000, 0.700227250000000, 0.213851420000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 60 coordinates: [ 0.579696160000000, 0.482651280000000, 0.148998290000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 61 coordinates: [ 0.627036330000000, 0.299772750000000, 0.713851420000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 62 coordinates: [ 0.872963670000000, 0.799772750000000, 0.786148580000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 63 coordinates: [ 0.849193990000000, 0.853360370000000, 0.058432790000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 64 coordinates: [ 0.794618380000000, 0.682662510000000, 0.122881870000000 ] mass: 32.065000 reduced_to: 32 - symbol: S # 65 coordinates: [ 0.794618380000000, 0.317337490000000, 0.622881870000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 66 coordinates: [ 0.688890390000000, 0.593673710000000, 0.422213410000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 67 coordinates: [ 0.868926860000000, 0.640299380000000, 0.241430970000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 68 coordinates: [ 0.705381620000000, 0.182662510000000, 0.377118130000000 ] mass: 32.065000 reduced_to: 36 - symbol: S # 69 coordinates: [ 0.705381620000000, 0.817337490000000, 0.877118130000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 70 coordinates: [ 0.872963670000000, 0.200227250000000, 0.286148580000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 71 coordinates: [ 0.836552980000000, 0.792719650000000, 0.332983230000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 72 coordinates: [ 0.811109610000000, 0.906326290000000, 0.577786590000000 ] mass: 32.065000 reduced_to: 40 - symbol: F # 73 coordinates: [ 0.022364420000000, 0.731700390000000, 0.979278830000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 74 coordinates: [ 0.389170110000000, 0.044158250000000, 0.959940200000000 ] mass: 18.998403 reduced_to: 74 - symbol: F # 75 coordinates: [ 0.477635580000000, 0.768299610000000, 0.020721170000000 ] mass: 18.998403 reduced_to: 75 - symbol: F # 76 coordinates: [ 0.491859530000000, 0.941072150000000, 0.614589830000000 ] mass: 18.998403 reduced_to: 76 - symbol: F # 77 coordinates: [ 0.110829890000000, 0.544158250000000, 0.540059800000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 78 coordinates: [ 0.491859530000000, 0.058927850000000, 0.114589830000000 ] mass: 18.998403 reduced_to: 78 - symbol: F # 79 coordinates: [ 0.008140470000000, 0.558927850000000, 0.385410170000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 80 coordinates: [ 0.389170110000000, 0.955841750000000, 0.459940200000000 ] mass: 18.998403 reduced_to: 80 - symbol: F # 81 coordinates: [ 0.022364420000000, 0.268299610000000, 0.479278830000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 82 coordinates: [ 0.008140470000000, 0.441072150000000, 0.885410170000000 ] mass: 18.998403 reduced_to: 82 - symbol: F # 83 coordinates: [ 0.477635580000000, 0.231700390000000, 0.520721170000000 ] mass: 18.998403 reduced_to: 83 - symbol: F # 84 coordinates: [ 0.110829890000000, 0.455841750000000, 0.040059800000000 ] mass: 18.998403 reduced_to: 84 - symbol: F # 85 coordinates: [ 0.522364420000000, 0.231700390000000, 0.979278830000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 86 coordinates: [ 0.889170110000000, 0.544158250000000, 0.959940200000000 ] mass: 18.998403 reduced_to: 74 - symbol: F # 87 coordinates: [ 0.977635580000000, 0.268299610000000, 0.020721170000000 ] mass: 18.998403 reduced_to: 75 - symbol: F # 88 coordinates: [ 0.991859530000000, 0.441072150000000, 0.614589830000000 ] mass: 18.998403 reduced_to: 76 - symbol: F # 89 coordinates: [ 0.610829890000000, 0.044158250000000, 0.540059800000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 90 coordinates: [ 0.991859530000000, 0.558927850000000, 0.114589830000000 ] mass: 18.998403 reduced_to: 78 - symbol: F # 91 coordinates: [ 0.508140470000000, 0.058927850000000, 0.385410170000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 92 coordinates: [ 0.889170110000000, 0.455841750000000, 0.459940200000000 ] mass: 18.998403 reduced_to: 80 - symbol: F # 93 coordinates: [ 0.522364420000000, 0.768299610000000, 0.479278830000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 94 coordinates: [ 0.508140470000000, 0.941072150000000, 0.885410170000000 ] mass: 18.998403 reduced_to: 82 - symbol: F # 95 coordinates: [ 0.977635580000000, 0.731700390000000, 0.520721170000000 ] mass: 18.998403 reduced_to: 83 - symbol: F # 96 coordinates: [ 0.610829890000000, 0.955841750000000, 0.040059800000000 ] mass: 18.998403 reduced_to: 84supercell: lattice: - [ 17.243681400000000, 0.000000000000000, -0.279243720000000 ] # a - [ 0.000000000000000, 7.884712200000000, 0.000000000000000 ] # b - [ -3.293625990000000, 0.000000000000000, 15.592731440000000 ] # c points: - symbol: Ag # 1 coordinates: [ 0.000000000000000, 0.836012370000000, 0.250000000000000 ] mass: 107.868200 reduced_to: 1 - symbol: Ag # 2 coordinates: [ 0.000000000000000, 0.163987630000000, 0.750000000000000 ] mass: 107.868200 reduced_to: 2 - symbol: Ag # 3 coordinates: [ 0.500000000000000, 0.336012370000000, 0.250000000000000 ] mass: 107.868200 reduced_to: 1 - symbol: Ag # 4 coordinates: [ 0.500000000000000, 0.663987630000000, 0.750000000000000 ] mass: 107.868200 reduced_to: 2 - symbol: Sb # 5 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 5 - symbol: Sb # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 6 - symbol: Sb # 7 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 5 - symbol: Sb # 8 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 6 - symbol: S # 9 coordinates: [ 0.311109610000000, 0.593673710000000, 0.077786590000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.150806010000000, 0.853360370000000, 0.441567210000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.400557750000000, 0.295183920000000, 0.668127520000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.336552980000000, 0.707280350000000, 0.832983230000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 13 coordinates: [ 0.099442250000000, 0.795183920000000, 0.831872480000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.420303840000000, 0.482651280000000, 0.351001710000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 15 coordinates: [ 0.131073140000000, 0.359700620000000, 0.758569030000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 16 coordinates: [ 0.079696160000000, 0.017348720000000, 0.648998290000000 ] mass: 32.065000 reduced_to: 16 - symbol: S # 17 coordinates: [ 0.131073140000000, 0.640299380000000, 0.258569030000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.368926860000000, 0.859700620000000, 0.741430970000000 ] mass: 32.065000 reduced_to: 18 - symbol: S # 19 coordinates: [ 0.400557750000000, 0.704816080000000, 0.168127520000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.099442250000000, 0.204816080000000, 0.331872480000000 ] mass: 32.065000 reduced_to: 20 - symbol: S # 21 coordinates: [ 0.420303840000000, 0.517348720000000, 0.851001710000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 22 coordinates: [ 0.188890390000000, 0.906326290000000, 0.922213410000000 ] mass: 32.065000 reduced_to: 22 - symbol: S # 23 coordinates: [ 0.349193990000000, 0.646639630000000, 0.558432790000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 24 coordinates: [ 0.163447020000000, 0.792719650000000, 0.167016770000000 ] mass: 32.065000 reduced_to: 24 - symbol: S # 25 coordinates: [ 0.150806010000000, 0.146639630000000, 0.941567210000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.163447020000000, 0.207280350000000, 0.667016770000000 ] mass: 32.065000 reduced_to: 26 - symbol: S # 27 coordinates: [ 0.127036330000000, 0.200227250000000, 0.213851420000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 28 coordinates: [ 0.079696160000000, 0.982651280000000, 0.148998290000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 29 coordinates: [ 0.127036330000000, 0.799772750000000, 0.713851420000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.372963670000000, 0.299772750000000, 0.786148580000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 31 coordinates: [ 0.349193990000000, 0.353360370000000, 0.058432790000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.294618380000000, 0.182662510000000, 0.122881870000000 ] mass: 32.065000 reduced_to: 32 - symbol: S # 33 coordinates: [ 0.294618380000000, 0.817337490000000, 0.622881870000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.188890390000000, 0.093673710000000, 0.422213410000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 35 coordinates: [ 0.368926860000000, 0.140299380000000, 0.241430970000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 36 coordinates: [ 0.205381620000000, 0.682662510000000, 0.377118130000000 ] mass: 32.065000 reduced_to: 36 - symbol: S # 37 coordinates: [ 0.205381620000000, 0.317337490000000, 0.877118130000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.372963670000000, 0.700227250000000, 0.286148580000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 39 coordinates: [ 0.336552980000000, 0.292719650000000, 0.332983230000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.311109610000000, 0.406326290000000, 0.577786590000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 41 coordinates: [ 0.811109610000000, 0.093673710000000, 0.077786590000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 42 coordinates: [ 0.650806010000000, 0.353360370000000, 0.441567210000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 43 coordinates: [ 0.900557750000000, 0.795183920000000, 0.668127520000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 44 coordinates: [ 0.836552980000000, 0.207280350000000, 0.832983230000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 45 coordinates: [ 0.599442250000000, 0.295183920000000, 0.831872480000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 46 coordinates: [ 0.920303840000000, 0.982651280000000, 0.351001710000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 47 coordinates: [ 0.631073140000000, 0.859700620000000, 0.758569030000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 48 coordinates: [ 0.579696160000000, 0.517348720000000, 0.648998290000000 ] mass: 32.065000 reduced_to: 16 - symbol: S # 49 coordinates: [ 0.631073140000000, 0.140299380000000, 0.258569030000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 50 coordinates: [ 0.868926860000000, 0.359700620000000, 0.741430970000000 ] mass: 32.065000 reduced_to: 18 - symbol: S # 51 coordinates: [ 0.900557750000000, 0.204816080000000, 0.168127520000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 52 coordinates: [ 0.599442250000000, 0.704816080000000, 0.331872480000000 ] mass: 32.065000 reduced_to: 20 - symbol: S # 53 coordinates: [ 0.920303840000000, 0.017348720000000, 0.851001710000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 54 coordinates: [ 0.688890390000000, 0.406326290000000, 0.922213410000000 ] mass: 32.065000 reduced_to: 22 - symbol: S # 55 coordinates: [ 0.849193990000000, 0.146639630000000, 0.558432790000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 56 coordinates: [ 0.663447020000000, 0.292719650000000, 0.167016770000000 ] mass: 32.065000 reduced_to: 24 - symbol: S # 57 coordinates: [ 0.650806010000000, 0.646639630000000, 0.941567210000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 58 coordinates: [ 0.663447020000000, 0.707280350000000, 0.667016770000000 ] mass: 32.065000 reduced_to: 26 - symbol: S # 59 coordinates: [ 0.627036330000000, 0.700227250000000, 0.213851420000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 60 coordinates: [ 0.579696160000000, 0.482651280000000, 0.148998290000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 61 coordinates: [ 0.627036330000000, 0.299772750000000, 0.713851420000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 62 coordinates: [ 0.872963670000000, 0.799772750000000, 0.786148580000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 63 coordinates: [ 0.849193990000000, 0.853360370000000, 0.058432790000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 64 coordinates: [ 0.794618380000000, 0.682662510000000, 0.122881870000000 ] mass: 32.065000 reduced_to: 32 - symbol: S # 65 coordinates: [ 0.794618380000000, 0.317337490000000, 0.622881870000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 66 coordinates: [ 0.688890390000000, 0.593673710000000, 0.422213410000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 67 coordinates: [ 0.868926860000000, 0.640299380000000, 0.241430970000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 68 coordinates: [ 0.705381620000000, 0.182662510000000, 0.377118130000000 ] mass: 32.065000 reduced_to: 36 - symbol: S # 69 coordinates: [ 0.705381620000000, 0.817337490000000, 0.877118130000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 70 coordinates: [ 0.872963670000000, 0.200227250000000, 0.286148580000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 71 coordinates: [ 0.836552980000000, 0.792719650000000, 0.332983230000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 72 coordinates: [ 0.811109610000000, 0.906326290000000, 0.577786590000000 ] mass: 32.065000 reduced_to: 40 - symbol: F # 73 coordinates: [ 0.022364420000000, 0.731700390000000, 0.979278830000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 74 coordinates: [ 0.389170110000000, 0.044158250000000, 0.959940200000000 ] mass: 18.998403 reduced_to: 74 - symbol: F # 75 coordinates: [ 0.477635580000000, 0.768299610000000, 0.020721170000000 ] mass: 18.998403 reduced_to: 75 - symbol: F # 76 coordinates: [ 0.491859530000000, 0.941072150000000, 0.614589830000000 ] mass: 18.998403 reduced_to: 76 - symbol: F # 77 coordinates: [ 0.110829890000000, 0.544158250000000, 0.540059800000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 78 coordinates: [ 0.491859530000000, 0.058927850000000, 0.114589830000000 ] mass: 18.998403 reduced_to: 78 - symbol: F # 79 coordinates: [ 0.008140470000000, 0.558927850000000, 0.385410170000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 80 coordinates: [ 0.389170110000000, 0.955841750000000, 0.459940200000000 ] mass: 18.998403 reduced_to: 80 - symbol: F # 81 coordinates: [ 0.022364420000000, 0.268299610000000, 0.479278830000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 82 coordinates: [ 0.008140470000000, 0.441072150000000, 0.885410170000000 ] mass: 18.998403 reduced_to: 82 - symbol: F # 83 coordinates: [ 0.477635580000000, 0.231700390000000, 0.520721170000000 ] mass: 18.998403 reduced_to: 83 - symbol: F # 84 coordinates: [ 0.110829890000000, 0.455841750000000, 0.040059800000000 ] mass: 18.998403 reduced_to: 84 - symbol: F # 85 coordinates: [ 0.522364420000000, 0.231700390000000, 0.979278830000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 86 coordinates: [ 0.889170110000000, 0.544158250000000, 0.959940200000000 ] mass: 18.998403 reduced_to: 74 - symbol: F # 87 coordinates: [ 0.977635580000000, 0.268299610000000, 0.020721170000000 ] mass: 18.998403 reduced_to: 75 - symbol: F # 88 coordinates: [ 0.991859530000000, 0.441072150000000, 0.614589830000000 ] mass: 18.998403 reduced_to: 76 - symbol: F # 89 coordinates: [ 0.610829890000000, 0.044158250000000, 0.540059800000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 90 coordinates: [ 0.991859530000000, 0.558927850000000, 0.114589830000000 ] mass: 18.998403 reduced_to: 78 - symbol: F # 91 coordinates: [ 0.508140470000000, 0.058927850000000, 0.385410170000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 92 coordinates: [ 0.889170110000000, 0.455841750000000, 0.459940200000000 ] mass: 18.998403 reduced_to: 80 - symbol: F # 93 coordinates: [ 0.522364420000000, 0.768299610000000, 0.479278830000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 94 coordinates: [ 0.508140470000000, 0.941072150000000, 0.885410170000000 ] mass: 18.998403 reduced_to: 82 - symbol: F # 95 coordinates: [ 0.977635580000000, 0.731700390000000, 0.520721170000000 ] mass: 18.998403 reduced_to: 83 - symbol: F # 96 coordinates: [ 0.610829890000000, 0.955841750000000, 0.040059800000000 ] mass: 18.998403 reduced_to: 84displacements:- atom: 1 displacement: [ 0.0099986890339478, 0.0000000000000000, -0.0001619185054627 ] forces: - [ -0.0508387700000000, -0.0000411700000000, 0.0209018400000000 ] - [ -0.0002727200000000, 0.0000834800000000, -0.0000569400000000 ] - [ 0.0004985600000000, -0.0000835500000000, 0.0000333700000000 ] - [ 0.0003282700000000, 0.0000832800000000, 0.0001003600000000 ] - [ -0.0022008800000000, 0.0002926500000000, -0.0009632900000000 ] - [ -0.0022041000000000, -0.0002957300000000, -0.0009565500000000 ] - [ 0.0011904700000000, -0.0000110900000000, 0.0003050600000000 ] - [ 0.0011912200000000, 0.0000116500000000, 0.0003052500000000 ] - [ -0.0003616300000000, 0.0001091600000000, 0.0001290600000000 ] - [ -0.0008262800000000, -0.0001923300000000, -0.0011561800000000 ] - [ 0.0000763700000000, 0.0002984000000000, -0.0006948000000000 ] - [ -0.0001204400000000, -0.0000194700000000, 0.0001226500000000 ] - [ -0.0000793500000000, 0.0002651300000000, 0.0006406500000000 ] - [ 0.0000312000000000, -0.0001654000000000, -0.0000234500000000 ] - [ 0.0000724300000000, 0.0003914600000000, 0.0001934300000000 ] - [ -0.0001055400000000, 0.0001732900000000, 0.0000843700000000 ] - [ 0.0065119700000000, -0.0048040500000000, 0.0007942900000000 ] - [ -0.0001591800000000, 0.0003827300000000, -0.0002238500000000 ] - [ 0.0000159700000000, -0.0001876900000000, -0.0007869400000000 ] - [ -0.0004011900000000, -0.0010719300000000, 0.0007194300000000 ] - [ 0.0001404800000000, 0.0001983400000000, -0.0001713100000000 ] - [ 0.0004300500000000, -0.0002053600000000, -0.0000556600000000 ] - [ 0.0002116400000000, 0.0003600200000000, -0.0001859400000000 ] - [ 0.0076032200000000, -0.0009546700000000, -0.0053394700000000 ] - [ -0.0001788100000000, 0.0003861600000000, -0.0001354900000000 ] - [ 0.0001150500000000, -0.0000378100000000, -0.0001079300000000 ] - [ 0.0011629900000000, 0.0016906400000000, -0.0009227800000000 ] - [ 0.0085594900000000, 0.0058379100000000, -0.0070132600000000 ] - [ -0.0002207400000000, 0.0004501700000000, -0.0002486900000000 ] - [ 0.0001821900000000, 0.0004735900000000, 0.0002881200000000 ] - [ 0.0001537100000000, -0.0003340700000000, -0.0000456200000000 ] - [ 0.0000838100000000, 0.0000807300000000, -0.0000464400000000 ] - [ 0.0000780400000000, -0.0000396200000000, 0.0002440100000000 ] - [ 0.0006917500000000, 0.0004670000000000, 0.0002855900000000 ] - [ -0.0001625000000000, -0.0005103700000000, -0.0002001700000000 ] - [ 0.0016191100000000, -0.0009453800000000, 0.0023778300000000 ] - [ 0.0000013600000000, -0.0000410900000000, 0.0000131800000000 ] - [ 0.0002945800000000, -0.0005065600000000, 0.0002801700000000 ] - [ -0.0000226400000000, 0.0000980800000000, 0.0002324000000000 ] - [ -0.0004221100000000, -0.0002660200000000, 0.0002026800000000 ] - [ -0.0000180000000000, -0.0001522200000000, 0.0004461600000000 ] - [ -0.0002041800000000, -0.0003079900000000, -0.0001357000000000 ] - [ -0.0000707100000000, 0.0003665300000000, -0.0008007900000000 ] - [ -0.0000240500000000, 0.0000401700000000, 0.0003607700000000 ] - [ 0.0000681200000000, 0.0003340400000000, 0.0007466800000000 ] - [ 0.0083655000000000, -0.0058808000000000, -0.0069445000000000 ] - [ 0.0000792200000000, 0.0004042900000000, 0.0002075300000000 ] - [ 0.0000497100000000, 0.0001669700000000, 0.0001253400000000 ] - [ 0.0000761300000000, -0.0002762800000000, 0.0002312000000000 ] - [ -0.0001664500000000, 0.0003954300000000, -0.0002380000000000 ] - [ -0.0003829600000000, 0.0004449200000000, -0.0007439600000000 ] - [ 0.0000073500000000, -0.0004446100000000, 0.0006549500000000 ] - [ -0.0000148600000000, 0.0001925400000000, -0.0002118200000000 ] - [ 0.0002827700000000, -0.0000400500000000, 0.0000372100000000 ] - [ 0.0001798600000000, 0.0002552900000000, -0.0000467600000000 ] - [ 0.0001169000000000, -0.0001003800000000, -0.0002359700000000 ] - [ -0.0001460300000000, 0.0002811000000000, -0.0002754500000000 ] - [ 0.0000191300000000, 0.0000219100000000, -0.0003457300000000 ] - [ -0.0002843900000000, -0.0003287500000000, -0.0004043400000000 ] - [ -0.0000591500000000, -0.0002013900000000, 0.0002725200000000 ] - [ -0.0004002900000000, 0.0003627000000000, -0.0003968400000000 ] - [ 0.0003617400000000, 0.0003857100000000, 0.0004364000000000 ] - [ -0.0004580400000000, -0.0004411100000000, -0.0010742400000000 ] - [ 0.0016524600000000, 0.0010298300000000, 0.0022988700000000 ] - [ 0.0000728000000000, -0.0000725800000000, -0.0000705800000000 ] - [ 0.0003442400000000, 0.0001972200000000, -0.0000370900000000 ] - [ 0.0058845300000000, 0.0036811900000000, 0.0003000300000000 ] - [ 0.0000130600000000, 0.0000322600000000, 0.0000376800000000 ] - [ 0.0000067300000000, -0.0000738900000000, 0.0003282200000000 ] - [ 0.0017235800000000, -0.0025261800000000, -0.0002018400000000 ] - [ 0.0073466200000000, 0.0009395700000000, -0.0047974300000000 ] - [ -0.0002745200000000, -0.0001006300000000, 0.0001090100000000 ] - [ 0.0010513400000000, 0.0001907000000000, 0.0001182200000000 ] - [ -0.0007206300000000, 0.0000140100000000, -0.0002721500000000 ] - [ -0.0008829400000000, -0.0000599600000000, 0.0001438000000000 ] - [ -0.0003979600000000, 0.0003085800000000, -0.0001537900000000 ] - [ 0.0011777800000000, 0.0001580000000000, 0.0002678900000000 ] - [ -0.0004729600000000, -0.0002885800000000, -0.0000422900000000 ] - [ 0.0010502800000000, -0.0003385400000000, 0.0002355600000000 ] - [ -0.0009036000000000, -0.0000240900000000, -0.0003777100000000 ] - [ 0.0011965700000000, -0.0000548100000000, -0.0001206900000000 ] - [ 0.0004336200000000, 0.0003485100000000, 0.0002066400000000 ] - [ -0.0008407700000000, -0.0000103400000000, 0.0000950000000000 ] - [ 0.0009050500000000, 0.0000735900000000, 0.0006300600000000 ] - [ 0.0004226900000000, -0.0000280300000000, -0.0002240800000000 ] - [ 0.0002778400000000, -0.0002194500000000, -0.0001748800000000 ] - [ -0.0000675200000000, 0.0000890100000000, 0.0001975700000000 ] - [ 0.0000435800000000, 0.0002344300000000, 0.0001300100000000 ] - [ 0.0001742500000000, -0.0000771700000000, 0.0001691300000000 ] - [ 0.0006621300000000, -0.0002476900000000, 0.0001519700000000 ] - [ -0.0000832200000000, -0.0002947700000000, 0.0000354900000000 ] - [ 0.0000088800000000, -0.0000097600000000, 0.0001891300000000 ] - [ 0.0003813400000000, 0.0000954100000000, -0.0001757200000000 ] - [ -0.0000070100000000, 0.0002732600000000, -0.0000804500000000 ] - [ -0.0002138800000000, -0.0002244600000000, 0.0004376800000000 ] - [ -0.0000087100000000, 0.0000868100000000, 0.0000630600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0089828800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000873800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000540200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000916200000000, 0.0000000000000000 ] - [ 0.0007565800000000, 0.0010175800000000, -0.0026403100000000 ] - [ -0.0007565800000000, 0.0010175800000000, 0.0026403100000000 ] - [ -0.0000171100000000, -0.0000203000000000, 0.0000229200000000 ] - [ 0.0000171100000000, -0.0000203000000000, -0.0000229200000000 ] - [ -0.0003721000000000, 0.0001918200000000, 0.0000937800000000 ] - [ -0.0008080000000000, -0.0001387300000000, 0.0001249600000000 ] - [ 0.0000029000000000, 0.0003044200000000, -0.0007111800000000 ] - [ -0.0000620600000000, 0.0000007300000000, 0.0002396900000000 ] - [ -0.0000285100000000, 0.0003096200000000, 0.0007143600000000 ] - [ 0.0000137700000000, -0.0001626100000000, -0.0001859900000000 ] - [ 0.0001143700000000, 0.0003887000000000, 0.0002235400000000 ] - [ -0.0000510300000000, 0.0001839300000000, 0.0001688200000000 ] - [ -0.0010539800000000, 0.0018965300000000, 0.0005175500000000 ] - [ -0.0001121300000000, 0.0004079900000000, -0.0001831100000000 ] - [ 0.0000259300000000, -0.0003490700000000, -0.0006895900000000 ] - [ 0.0005088900000000, -0.0005786800000000, -0.0002860700000000 ] - [ 0.0000335700000000, 0.0001860400000000, -0.0001484500000000 ] - [ 0.0003547400000000, -0.0001738100000000, -0.0000656900000000 ] - [ 0.0001409300000000, 0.0003288800000000, 0.0000823700000000 ] - [ 0.0004309900000000, -0.0035391200000000, 0.0017614000000000 ] - [ -0.0001687000000000, 0.0003397000000000, -0.0001414100000000 ] - [ 0.0000655300000000, -0.0000027800000000, -0.0002157400000000 ] - [ 0.0010243600000000, 0.0035077400000000, -0.0001668800000000 ] - [ 0.0008150000000000, 0.0015456600000000, -0.0016906000000000 ] - [ -0.0002850200000000, 0.0004164300000000, -0.0003459600000000 ] - [ 0.0002973100000000, 0.0004133600000000, 0.0003383100000000 ] - [ 0.0001165400000000, -0.0002959100000000, 0.0000329000000000 ] - [ 0.0000983400000000, 0.0000322500000000, -0.0000516000000000 ] - [ 0.0000567500000000, -0.0000911800000000, -0.0000600000000000 ] - [ 0.0004914500000000, 0.0001195900000000, 0.0004295600000000 ] - [ -0.0001483200000000, -0.0003952200000000, -0.0001587000000000 ] - [ -0.0001374000000000, -0.0002543500000000, -0.0028309200000000 ] - [ -0.0000325300000000, -0.0000208100000000, 0.0000548500000000 ] - [ 0.0002684900000000, -0.0003915100000000, 0.0003566900000000 ] - [ 0.0000029200000000, -0.0000064000000000, 0.0002261700000000 ] - [ -0.0003450300000000, -0.0001080500000000, 0.0000951000000000 ] - [ -0.0004914500000000, 0.0001195900000000, -0.0004295600000000 ] - [ -0.0001165400000000, -0.0002959100000000, -0.0000329000000000 ] - [ 0.0000285100000000, 0.0003096200000000, -0.0007143600000000 ] - [ -0.0000655300000000, -0.0000027800000000, 0.0002157400000000 ] - [ -0.0000029000000000, 0.0003044200000000, 0.0007111800000000 ] - [ -0.0008150000000000, 0.0015456600000000, 0.0016906000000000 ] - [ 0.0001121300000000, 0.0004079900000000, 0.0001831100000000 ] - [ -0.0000335700000000, 0.0001860400000000, 0.0001484500000000 ] - [ 0.0001483200000000, -0.0003952200000000, 0.0001587000000000 ] - [ -0.0001143700000000, 0.0003887000000000, -0.0002235400000000 ] - [ -0.0005088900000000, -0.0005786800000000, 0.0002860700000000 ] - [ -0.0000259300000000, -0.0003490700000000, 0.0006895900000000 ] - [ 0.0000510300000000, 0.0001839300000000, -0.0001688200000000 ] - [ 0.0003450300000000, -0.0001080500000000, -0.0000951000000000 ] - [ 0.0001687000000000, 0.0003397000000000, 0.0001414100000000 ] - [ -0.0000029200000000, -0.0000064000000000, -0.0002261700000000 ] - [ -0.0001409300000000, 0.0003288800000000, -0.0000823700000000 ] - [ 0.0000620600000000, 0.0000007300000000, -0.0002396900000000 ] - [ -0.0002684900000000, -0.0003915100000000, -0.0003566900000000 ] - [ -0.0000137700000000, -0.0001626100000000, 0.0001859900000000 ] - [ -0.0002973100000000, 0.0004133600000000, -0.0003383100000000 ] - [ 0.0002850200000000, 0.0004164300000000, 0.0003459600000000 ] - [ 0.0008080000000000, -0.0001387300000000, -0.0001249600000000 ] - [ 0.0001374000000000, -0.0002543500000000, 0.0028309200000000 ] - [ 0.0000325300000000, -0.0000208100000000, -0.0000548500000000 ] - [ 0.0003721000000000, 0.0001918200000000, -0.0000937800000000 ] - [ 0.0010539800000000, 0.0018965300000000, -0.0005175500000000 ] - [ -0.0000983400000000, 0.0000322500000000, 0.0000516000000000 ] - [ -0.0000567500000000, -0.0000911800000000, 0.0000600000000000 ] - [ -0.0010243600000000, 0.0035077400000000, 0.0001668800000000 ] - [ -0.0004309900000000, -0.0035391200000000, -0.0017614000000000 ] - [ -0.0003547400000000, -0.0001738100000000, 0.0000656900000000 ] - [ 0.0008041600000000, 0.0003013200000000, -0.0004153600000000 ] - [ -0.0004590500000000, -0.0000259100000000, -0.0002164200000000 ] - [ -0.0006331200000000, 0.0000266400000000, 0.0001593600000000 ] - [ -0.0001928300000000, 0.0002959200000000, -0.0000477600000000 ] - [ 0.0005869800000000, -0.0000702200000000, 0.0005124800000000 ] - [ -0.0002017600000000, -0.0002841100000000, -0.0000302100000000 ] - [ -0.0003718500000000, -0.0004000000000000, 0.0014228300000000 ] - [ -0.0004551500000000, 0.0000471000000000, -0.0002216200000000 ] - [ 0.0007042000000000, -0.0005868300000000, -0.0001627300000000 ] - [ 0.0002174800000000, 0.0002276200000000, -0.0000494300000000 ] - [ -0.0006280400000000, -0.0000196700000000, 0.0001547000000000 ] - [ 0.0007299000000000, -0.0001453800000000, 0.0000704000000000 ] - [ 0.0006280400000000, -0.0000196700000000, -0.0001547000000000 ] - [ -0.0005869800000000, -0.0000702200000000, -0.0005124800000000 ] - [ -0.0007042000000000, -0.0005868300000000, 0.0001627300000000 ] - [ -0.0002174800000000, 0.0002276200000000, 0.0000494300000000 ] - [ 0.0004590500000000, -0.0000259100000000, 0.0002164200000000 ] - [ 0.0003718500000000, -0.0004000000000000, -0.0014228300000000 ] - [ 0.0002017600000000, -0.0002841100000000, 0.0000302100000000 ] - [ -0.0007299000000000, -0.0001453800000000, -0.0000704000000000 ] - [ 0.0006331200000000, 0.0000266400000000, -0.0001593600000000 ] - [ 0.0001928300000000, 0.0002959200000000, 0.0000477600000000 ] - [ -0.0008041600000000, 0.0003013200000000, 0.0004153600000000 ] - [ 0.0004551500000000, 0.0000471000000000, 0.0002216200000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0086564300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000808000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001124600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000763900000000, 0.0000000000000000 ] - [ -0.0007641700000000, -0.0010230200000000, 0.0026660200000000 ] - [ 0.0007641700000000, -0.0010230200000000, -0.0026660200000000 ] - [ 0.0000166000000000, 0.0000216800000000, -0.0000233700000000 ] - [ -0.0000166000000000, 0.0000216800000000, 0.0000233700000000 ] - [ -0.0003338100000000, 0.0001156900000000, 0.0000702500000000 ] - [ 0.0004538500000000, -0.0005086900000000, -0.0002058500000000 ] - [ 0.0000057300000000, 0.0003273400000000, -0.0007303700000000 ] - [ -0.0000777400000000, 0.0000019300000000, 0.0002282200000000 ] - [ 0.0000198600000000, 0.0003222000000000, 0.0007273300000000 ] - [ 0.0000754400000000, -0.0002034500000000, -0.0001114800000000 ] - [ 0.0001255900000000, 0.0003992900000000, 0.0002077200000000 ] - [ -0.0000383600000000, 0.0001828600000000, 0.0001289800000000 ] - [ 0.0014371700000000, -0.0027610200000000, -0.0000816900000000 ] - [ -0.0001278200000000, 0.0003801200000000, -0.0002478200000000 ] - [ -0.0000171600000000, -0.0002815500000000, -0.0007522100000000 ] - [ -0.0005098100000000, -0.0000330500000000, 0.0017390900000000 ] - [ 0.0000554800000000, 0.0001805800000000, -0.0001488200000000 ] - [ 0.0003508800000000, -0.0001318100000000, -0.0000986600000000 ] - [ 0.0002166000000000, 0.0003138600000000, 0.0000065200000000 ] - [ -0.0003242000000000, 0.0035375800000000, -0.0022203300000000 ] - [ -0.0001892900000000, 0.0003024700000000, 0.0000517800000000 ] - [ 0.0000743100000000, 0.0000053200000000, -0.0002522300000000 ] - [ -0.0015537700000000, -0.0043054300000000, -0.0005543600000000 ] - [ -0.0007856700000000, -0.0018297500000000, 0.0019137800000000 ] - [ -0.0002965000000000, 0.0004201500000000, -0.0003400500000000 ] - [ 0.0002843000000000, 0.0004235100000000, 0.0003473300000000 ] - [ 0.0002412100000000, -0.0003455500000000, 0.0000564700000000 ] - [ -0.0000275500000000, 0.0000812000000000, -0.0000322500000000 ] - [ 0.0000144500000000, -0.0000211500000000, -0.0000240800000000 ] - [ 0.0002186100000000, 0.0001907100000000, -0.0005939100000000 ] - [ -0.0000920500000000, -0.0003910300000000, -0.0002723200000000 ] - [ 0.0000658900000000, 0.0003803200000000, 0.0029183600000000 ] - [ -0.0000387300000000, -0.0000916300000000, 0.0000290300000000 ] - [ 0.0003111900000000, -0.0004429400000000, 0.0003293500000000 ] - [ -0.0001425100000000, 0.0000054400000000, 0.0002416800000000 ] - [ -0.0003607600000000, -0.0001975100000000, 0.0000694800000000 ] - [ -0.0002186100000000, 0.0001907100000000, 0.0005939100000000 ] - [ -0.0002412100000000, -0.0003455500000000, -0.0000564700000000 ] - [ -0.0000198600000000, 0.0003222000000000, -0.0007273300000000 ] - [ -0.0000743100000000, 0.0000053200000000, 0.0002522300000000 ] - [ -0.0000057300000000, 0.0003273400000000, 0.0007303700000000 ] - [ 0.0007856700000000, -0.0018297500000000, -0.0019137800000000 ] - [ 0.0001278200000000, 0.0003801200000000, 0.0002478200000000 ] - [ -0.0000554800000000, 0.0001805800000000, 0.0001488200000000 ] - [ 0.0000920500000000, -0.0003910300000000, 0.0002723200000000 ] - [ -0.0001255900000000, 0.0003992900000000, -0.0002077200000000 ] - [ 0.0005098100000000, -0.0000330500000000, -0.0017390900000000 ] - [ 0.0000171600000000, -0.0002815500000000, 0.0007522100000000 ] - [ 0.0000383600000000, 0.0001828600000000, -0.0001289800000000 ] - [ 0.0003607600000000, -0.0001975100000000, -0.0000694800000000 ] - [ 0.0001892900000000, 0.0003024700000000, -0.0000517800000000 ] - [ 0.0001425100000000, 0.0000054400000000, -0.0002416800000000 ] - [ -0.0002166000000000, 0.0003138600000000, -0.0000065200000000 ] - [ 0.0000777400000000, 0.0000019300000000, -0.0002282200000000 ] - [ -0.0003111900000000, -0.0004429400000000, -0.0003293500000000 ] - [ -0.0000754400000000, -0.0002034500000000, 0.0001114800000000 ] - [ -0.0002843000000000, 0.0004235100000000, -0.0003473300000000 ] - [ 0.0002965000000000, 0.0004201500000000, 0.0003400500000000 ] - [ -0.0004538500000000, -0.0005086900000000, 0.0002058500000000 ] - [ -0.0000658900000000, 0.0003803200000000, -0.0029183600000000 ] - [ 0.0000387300000000, -0.0000916300000000, -0.0000290300000000 ] - [ 0.0003338100000000, 0.0001156900000000, -0.0000702500000000 ] - [ -0.0014371700000000, -0.0027610200000000, 0.0000816900000000 ] - [ 0.0000275500000000, 0.0000812000000000, 0.0000322500000000 ] - [ -0.0000144500000000, -0.0000211500000000, 0.0000240800000000 ] - [ 0.0015537700000000, -0.0043054300000000, 0.0005543600000000 ] - [ 0.0003242000000000, 0.0035375800000000, 0.0022203300000000 ] - [ -0.0003508800000000, -0.0001318100000000, 0.0000986600000000 ] - [ 0.0004579200000000, -0.0003431100000000, 0.0000995200000000 ] - [ -0.0004323600000000, -0.0000373200000000, -0.0002240700000000 ] - [ -0.0006297000000000, 0.0000161200000000, 0.0001588500000000 ] - [ -0.0001967800000000, 0.0002877600000000, -0.0000310700000000 ] - [ 0.0003056300000000, 0.0000070500000000, -0.0000730800000000 ] - [ -0.0001868300000000, -0.0002991900000000, -0.0000524100000000 ] - [ 0.0007633600000000, -0.0001975300000000, -0.0013325700000000 ] - [ -0.0004358100000000, 0.0000176400000000, -0.0002181400000000 ] - [ 0.0005591200000000, 0.0006302900000000, -0.0001575000000000 ] - [ 0.0001707900000000, 0.0003570700000000, 0.0001327000000000 ] - [ -0.0006339500000000, -0.0000247900000000, 0.0001631300000000 ] - [ 0.0001578800000000, 0.0002107400000000, 0.0003696000000000 ] - [ 0.0006339500000000, -0.0000247900000000, -0.0001631300000000 ] - [ -0.0003056300000000, 0.0000070500000000, 0.0000730800000000 ] - [ -0.0005591200000000, 0.0006302900000000, 0.0001575000000000 ] - [ -0.0001707900000000, 0.0003570700000000, -0.0001327000000000 ] - [ 0.0004323600000000, -0.0000373200000000, 0.0002240700000000 ] - [ -0.0007633600000000, -0.0001975300000000, 0.0013325700000000 ] - [ 0.0001868300000000, -0.0002991900000000, 0.0000524100000000 ] - [ -0.0001578800000000, 0.0002107400000000, -0.0003696000000000 ] - [ 0.0006297000000000, 0.0000161200000000, -0.0001588500000000 ] - [ 0.0001967800000000, 0.0002877600000000, 0.0000310700000000 ] - [ -0.0004579200000000, -0.0003431100000000, -0.0000995200000000 ] - [ 0.0004358100000000, 0.0000176400000000, 0.0002181400000000 ]- atom: 1 displacement: [ -0.0020666810454366, 0.0000000000000000, 0.0097841110713459 ] forces: - [ 0.0306963400000000, -0.0003023000000000, -0.0162633200000000 ] - [ 0.0000025200000000, 0.0000832200000000, 0.0001081100000000 ] - [ -0.0000708500000000, -0.0000831200000000, -0.0000187700000000 ] - [ 0.0000303600000000, 0.0000831500000000, 0.0000115800000000 ] - [ -0.0006511900000000, -0.0010415900000000, 0.0030599900000000 ] - [ -0.0006382800000000, 0.0010213500000000, 0.0030185600000000 ] - [ -0.0000184800000000, 0.0000033600000000, 0.0000019400000000 ] - [ -0.0000174200000000, -0.0000026600000000, 0.0000041500000000 ] - [ -0.0003372700000000, 0.0001235000000000, 0.0000648800000000 ] - [ -0.0003575700000000, -0.0008416500000000, -0.0011367900000000 ] - [ 0.0000076600000000, 0.0003094100000000, -0.0006978100000000 ] - [ -0.0000787100000000, 0.0000168800000000, 0.0002193300000000 ] - [ -0.0000536500000000, 0.0003044100000000, 0.0008286700000000 ] - [ 0.0000688100000000, -0.0001883900000000, -0.0001319800000000 ] - [ 0.0001244100000000, 0.0004050000000000, 0.0002902700000000 ] - [ -0.0000381300000000, 0.0001816000000000, 0.0001982500000000 ] - [ -0.0052642700000000, 0.0027673700000000, 0.0006133000000000 ] - [ -0.0001504400000000, 0.0004037100000000, -0.0001918600000000 ] - [ -0.0000176500000000, -0.0003355100000000, -0.0007442400000000 ] - [ -0.0000471200000000, -0.0006021500000000, 0.0006221300000000 ] - [ 0.0000606000000000, 0.0001884300000000, -0.0001672800000000 ] - [ 0.0003548200000000, -0.0001039600000000, -0.0001512200000000 ] - [ 0.0001964100000000, 0.0003177600000000, 0.0000679000000000 ] - [ -0.0044462200000000, 0.0023611900000000, 0.0003783100000000 ] - [ -0.0002382300000000, 0.0003195500000000, 0.0000517900000000 ] - [ 0.0001184700000000, 0.0000221500000000, -0.0002702400000000 ] - [ 0.0000450300000000, -0.0026346300000000, -0.0020858700000000 ] - [ -0.0062400200000000, -0.0036110400000000, 0.0081323800000000 ] - [ -0.0002773000000000, 0.0004006700000000, -0.0003254000000000 ] - [ 0.0002816800000000, 0.0004197100000000, 0.0003303700000000 ] - [ 0.0002077400000000, -0.0003217100000000, 0.0001030900000000 ] - [ -0.0000332300000000, 0.0000595400000000, -0.0000414500000000 ] - [ 0.0001036500000000, -0.0000871700000000, 0.0000404600000000 ] - [ 0.0002336500000000, 0.0008190200000000, 0.0003410200000000 ] - [ -0.0001165900000000, -0.0003726700000000, -0.0002901900000000 ] - [ 0.0008373300000000, -0.0006612800000000, 0.0009962600000000 ] - [ -0.0000480300000000, -0.0001056700000000, 0.0000192200000000 ] - [ 0.0003334900000000, -0.0004410500000000, 0.0003776100000000 ] - [ -0.0000604200000000, 0.0000496500000000, 0.0002251300000000 ] - [ -0.0003435100000000, -0.0001413500000000, 0.0000852300000000 ] - [ -0.0004665400000000, -0.0005048900000000, 0.0005147100000000 ] - [ -0.0001483700000000, -0.0003180600000000, 0.0000107300000000 ] - [ -0.0000487500000000, 0.0003316500000000, -0.0006120800000000 ] - [ -0.0000193300000000, -0.0000239700000000, 0.0001950800000000 ] - [ 0.0000022800000000, 0.0003264200000000, 0.0007428300000000 ] - [ -0.0065382700000000, 0.0035167300000000, 0.0081298500000000 ] - [ 0.0000864800000000, 0.0003808600000000, 0.0002403500000000 ] - [ -0.0000281400000000, 0.0001758900000000, 0.0001315800000000 ] - [ 0.0001204300000000, -0.0004109100000000, 0.0001427600000000 ] - [ -0.0001121600000000, 0.0003789200000000, -0.0001426100000000 ] - [ -0.0000488600000000, -0.0000129000000000, -0.0008339700000000 ] - [ -0.0000226700000000, -0.0003008900000000, 0.0006958400000000 ] - [ 0.0000512000000000, 0.0001832800000000, -0.0001006800000000 ] - [ 0.0003584900000000, -0.0001620900000000, -0.0000825600000000 ] - [ 0.0001182400000000, 0.0003192600000000, 0.0001432800000000 ] - [ 0.0000778100000000, -0.0000482500000000, -0.0002392600000000 ] - [ -0.0001591300000000, 0.0003217200000000, -0.0000240200000000 ] - [ 0.0000587700000000, -0.0000185900000000, -0.0002454900000000 ] - [ -0.0002513200000000, -0.0003991500000000, -0.0003056300000000 ] - [ -0.0000200700000000, -0.0001764300000000, 0.0001669900000000 ] - [ -0.0003044700000000, 0.0004211300000000, -0.0003528600000000 ] - [ 0.0003087500000000, 0.0004396800000000, 0.0003581700000000 ] - [ 0.0000074600000000, 0.0002014500000000, -0.0010497100000000 ] - [ 0.0009007200000000, 0.0007595400000000, 0.0009317800000000 ] - [ 0.0000256700000000, -0.0000088600000000, -0.0000643400000000 ] - [ 0.0003649700000000, 0.0001803600000000, -0.0001025700000000 ] - [ -0.0055398900000000, -0.0035986900000000, 0.0001070800000000 ] - [ -0.0001059500000000, 0.0000544400000000, 0.0000417500000000 ] - [ 0.0000299700000000, -0.0000267500000000, 0.0001240500000000 ] - [ 0.0006382500000000, 0.0017748500000000, -0.0014077700000000 ] - [ -0.0046017100000000, -0.0023478700000000, 0.0008418600000000 ] - [ -0.0003468200000000, -0.0001993500000000, 0.0000164500000000 ] - [ 0.0007987500000000, -0.0000413900000000, -0.0006414000000000 ] - [ -0.0004173800000000, -0.0000425200000000, -0.0002304800000000 ] - [ -0.0006241900000000, 0.0000159300000000, 0.0001573700000000 ] - [ -0.0002035200000000, 0.0002943000000000, -0.0000609400000000 ] - [ 0.0001417900000000, -0.0000015700000000, -0.0001643800000000 ] - [ -0.0001727600000000, -0.0002872700000000, -0.0000194900000000 ] - [ 0.0006917100000000, 0.0000082900000000, -0.0011048400000000 ] - [ -0.0004654800000000, 0.0000257000000000, -0.0002114500000000 ] - [ 0.0005318600000000, 0.0002596300000000, -0.0003985400000000 ] - [ 0.0002642000000000, 0.0001669200000000, -0.0003395200000000 ] - [ -0.0006268400000000, -0.0000294200000000, 0.0001605000000000 ] - [ 0.0008060500000000, -0.0001173500000000, 0.0000244200000000 ] - [ 0.0006368300000000, -0.0000101500000000, -0.0001584500000000 ] - [ -0.0007400400000000, -0.0000628300000000, -0.0005991900000000 ] - [ -0.0007311100000000, -0.0002111200000000, -0.0000785500000000 ] - [ -0.0001256400000000, 0.0004158400000000, -0.0004176200000000 ] - [ 0.0004689200000000, -0.0000224700000000, 0.0002100100000000 ] - [ 0.0002923500000000, -0.0005951100000000, -0.0011665900000000 ] - [ 0.0002182100000000, -0.0002941000000000, 0.0000562900000000 ] - [ -0.0000736000000000, 0.0001856300000000, -0.0004169000000000 ] - [ 0.0006390600000000, 0.0000260300000000, -0.0001607400000000 ] - [ 0.0001865900000000, 0.0002877300000000, 0.0000168400000000 ] - [ -0.0004618600000000, -0.0000008800000000, -0.0003292600000000 ] - [ 0.0004207100000000, 0.0000389600000000, 0.0002278100000000 ]- atom: 5 displacement: [ 0.0099986890339478, 0.0000000000000000, -0.0001619185054627 ] forces: - [ -0.0022105700000000, 0.0007130800000000, -0.0011680800000000 ] - [ -0.0022023000000000, 0.0008921600000000, -0.0011823100000000 ] - [ 0.0011899600000000, -0.0001012600000000, 0.0002335000000000 ] - [ 0.0011893900000000, 0.0000676500000000, 0.0002338600000000 ] - [ -0.4978244000000000, -0.0042729300000000, 0.0014763100000000 ] - [ -0.0033773000000000, -0.0005742100000000, -0.0030016000000000 ] - [ 0.0044791900000000, 0.0000394600000000, -0.0000856200000000 ] - [ 0.0022958400000000, 0.0001820100000000, 0.0014822700000000 ] - [ -0.0003791700000000, 0.0001795000000000, 0.0001793800000000 ] - [ 0.0012975500000000, 0.0031360100000000, -0.0019101200000000 ] - [ -0.0002819200000000, -0.0002896400000000, -0.0000483200000000 ] - [ -0.0001769900000000, -0.0000111600000000, -0.0000795500000000 ] - [ -0.0007883400000000, -0.0002070300000000, 0.0009670300000000 ] - [ 0.0000758100000000, -0.0000643900000000, 0.0000368800000000 ] - [ -0.0019024200000000, 0.0012751800000000, 0.0017843100000000 ] - [ -0.0018207700000000, -0.0014171400000000, -0.0007711600000000 ] - [ -0.0005384400000000, -0.0000445300000000, -0.0019759900000000 ] - [ -0.0002482200000000, 0.0003253500000000, 0.0006123200000000 ] - [ 0.0000504600000000, -0.0001452300000000, -0.0007135500000000 ] - [ 0.0002078400000000, -0.0019815000000000, -0.0007623100000000 ] - [ 0.0003701900000000, 0.0003389600000000, -0.0001765900000000 ] - [ 0.0007694300000000, -0.0003256700000000, -0.0006222500000000 ] - [ 0.0003786300000000, 0.0008231900000000, -0.0008963700000000 ] - [ 0.0004690500000000, 0.0001756400000000, 0.0004735800000000 ] - [ -0.0006623300000000, 0.0004036400000000, -0.0005625700000000 ] - [ 0.0023132500000000, -0.0015982600000000, 0.0008619400000000 ] - [ 0.0006346300000000, -0.0002443000000000, -0.0007720800000000 ] - [ -0.0007478000000000, -0.0002399400000000, 0.0006169600000000 ] - [ 0.0009658000000000, 0.0030340000000000, 0.0008878200000000 ] - [ 0.0001677100000000, 0.0005345300000000, 0.0000256600000000 ] - [ 0.0000936300000000, -0.0003447300000000, -0.0000681100000000 ] - [ 0.0000564000000000, 0.0000707100000000, 0.0000914100000000 ] - [ 0.0003605900000000, 0.0000833700000000, 0.0001793800000000 ] - [ 0.0005543200000000, 0.0000804800000000, 0.0007488700000000 ] - [ -0.0001957900000000, -0.0005747000000000, -0.0002275700000000 ] - [ 0.0012564900000000, -0.0002100600000000, 0.0004770400000000 ] - [ 0.0010179500000000, -0.0001094600000000, -0.0002877500000000 ] - [ 0.0002233300000000, -0.0006227600000000, 0.0002583600000000 ] - [ 0.0000828500000000, 0.0002297300000000, 0.0000427200000000 ] - [ 0.0006543800000000, -0.0003151600000000, 0.0000782600000000 ] - [ 0.0000618600000000, -0.0000159700000000, -0.0004647600000000 ] - [ 0.0000179700000000, 0.0001758700000000, -0.0009812300000000 ] - [ 0.0002461200000000, -0.0013632900000000, -0.0022207700000000 ] - [ 0.0003253800000000, 0.0001840800000000, 0.0009439000000000 ] - [ 0.0000386300000000, 0.0004810000000000, 0.0007306000000000 ] - [ -0.0017143300000000, -0.0017736200000000, -0.0010390600000000 ] - [ 0.0000432800000000, 0.0002163100000000, 0.0002024500000000 ] - [ -0.0000148700000000, 0.0003016800000000, 0.0003281900000000 ] - [ -0.0000095300000000, -0.0004641900000000, 0.0010407700000000 ] - [ -0.0007704600000000, 0.0007491900000000, -0.0023935900000000 ] - [ -0.0007757700000000, -0.0008330900000000, -0.0004766400000000 ] - [ -0.0002939100000000, -0.0009135200000000, 0.0013914000000000 ] - [ -0.0006508100000000, 0.0001271900000000, 0.0003207100000000 ] - [ 0.0003289900000000, -0.0001290200000000, 0.0000181000000000 ] - [ 0.0016827000000000, 0.0037992900000000, -0.0018455200000000 ] - [ -0.0000376800000000, -0.0000175600000000, -0.0005527400000000 ] - [ -0.0002673800000000, 0.0002999600000000, -0.0001561200000000 ] - [ 0.0002223600000000, 0.0002370100000000, -0.0004317100000000 ] - [ -0.0004135000000000, -0.0002953800000000, -0.0006629100000000 ] - [ 0.0002787900000000, -0.0000286500000000, 0.0001159800000000 ] - [ -0.0003578900000000, 0.0002072000000000, -0.0004318200000000 ] - [ 0.0012058300000000, 0.0005821900000000, -0.0000747100000000 ] - [ -0.0003015400000000, -0.0002405200000000, -0.0004760500000000 ] - [ 0.0010835200000000, 0.0000025800000000, -0.0003726600000000 ] - [ 0.0013258800000000, -0.0003096400000000, 0.0003853000000000 ] - [ 0.0013690800000000, -0.0000085100000000, -0.0000789600000000 ] - [ -0.0021218300000000, 0.0004661500000000, 0.0013631300000000 ] - [ 0.0002927900000000, 0.0001965600000000, 0.0002666500000000 ] - [ -0.0000144600000000, -0.0000412900000000, 0.0001785800000000 ] - [ 0.0015458100000000, 0.0022074100000000, 0.0015935400000000 ] - [ 0.0021715600000000, -0.0016185400000000, 0.0013502700000000 ] - [ -0.0001615800000000, -0.0002394400000000, 0.0009089300000000 ] - [ 0.0013967600000000, 0.0001750500000000, 0.0003514200000000 ] - [ -0.0011007900000000, 0.0000365800000000, -0.0005822900000000 ] - [ -0.0011141400000000, -0.0000738000000000, -0.0000999300000000 ] - [ -0.0010862800000000, 0.0002386700000000, 0.0000743000000000 ] - [ 0.1844379300000000, 0.0305126200000000, 0.0544358300000000 ] - [ -0.0007068800000000, -0.0003818500000000, -0.0004588600000000 ] - [ 0.0350960300000000, 0.0103592000000000, -0.0432850000000000 ] - [ -0.0018011400000000, -0.0001827400000000, -0.0003492700000000 ] - [ 0.0328688900000000, -0.0405032000000000, -0.0077676300000000 ] - [ 0.0009453600000000, 0.0005038500000000, 0.0009161600000000 ] - [ -0.0014976000000000, 0.0001727500000000, 0.0002507000000000 ] - [ 0.0013693000000000, -0.0000434000000000, 0.0009003900000000 ] - [ 0.0001462500000000, -0.0001273900000000, -0.0004165200000000 ] - [ 0.0004798800000000, -0.0001095200000000, 0.0004595600000000 ] - [ 0.0001367400000000, 0.0002287100000000, 0.0006672800000000 ] - [ 0.0350469000000000, 0.0108387700000000, -0.0430035100000000 ] - [ -0.0009107500000000, -0.0002460900000000, 0.0000904600000000 ] - [ 0.0005605900000000, -0.0000819900000000, 0.0008278100000000 ] - [ -0.0006994900000000, -0.0003458900000000, 0.0001617100000000 ] - [ 0.1730616300000000, 0.0281952000000000, 0.0499373700000000 ] - [ -0.0002372100000000, 0.0002260300000000, -0.0000660700000000 ] - [ -0.0003205200000000, 0.0002039800000000, -0.0003714700000000 ] - [ 0.0320086800000000, -0.0405300700000000, -0.0074447200000000 ] - [ -0.0002130000000000, 0.0001025000000000, -0.0001429000000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002790300000000, 0.0009251200000000, -0.0009917200000000 ] - [ 0.0002761500000000, 0.0011105800000000, -0.0009968200000000 ] - [ -0.0000106900000000, -0.0001071000000000, 0.0000001100000000 ] - [ -0.0000115500000000, 0.0000649200000000, 0.0000005100000000 ] - [ -0.0042064000000000, -0.4858985700000000, -0.0039055100000000 ] - [ 0.0005662300000000, -0.0003325800000000, -0.0004216200000000 ] - [ 0.0000381300000000, 0.0000430000000000, -0.0001438500000000 ] - [ -0.0001812300000000, 0.0000670100000000, 0.0000908600000000 ] - [ -0.0003385400000000, 0.0001158700000000, 0.0000655100000000 ] - [ 0.0029282100000000, 0.0023902100000000, -0.0007830500000000 ] - [ -0.0000195700000000, 0.0003339500000000, -0.0006143500000000 ] - [ -0.0000456500000000, 0.0000502200000000, 0.0001898200000000 ] - [ -0.0006283300000000, -0.0004072200000000, 0.0020023400000000 ] - [ 0.0000168700000000, -0.0002218900000000, -0.0001172600000000 ] - [ -0.0004219400000000, -0.0009058800000000, -0.0017939200000000 ] - [ 0.0004100900000000, 0.0047957700000000, -0.0004756700000000 ] - [ 0.0007586500000000, -0.0005086700000000, -0.0003551400000000 ] - [ -0.0002012500000000, 0.0003782000000000, -0.0001039100000000 ] - [ -0.0000462800000000, -0.0002962100000000, -0.0007362700000000 ] - [ -0.0035889600000000, 0.0007088300000000, 0.0045410200000000 ] - [ 0.0001005200000000, 0.0001402500000000, -0.0001804600000000 ] - [ 0.0001702600000000, -0.0003308100000000, -0.0006158800000000 ] - [ 0.0002698900000000, 0.0003140600000000, -0.0000644100000000 ] - [ -0.0001442400000000, -0.0002064300000000, -0.0001740300000000 ] - [ -0.0001228600000000, 0.0004905300000000, -0.0000490600000000 ] - [ -0.0003843700000000, 0.0000713400000000, -0.0003743100000000 ] - [ 0.0007566900000000, -0.0010182200000000, -0.0004361000000000 ] - [ -0.0002110200000000, 0.0000778200000000, 0.0000381500000000 ] - [ 0.0007995300000000, 0.0010026400000000, 0.0002508500000000 ] - [ 0.0002428700000000, 0.0004326400000000, 0.0003181800000000 ] - [ 0.0002108500000000, -0.0003728600000000, 0.0001229300000000 ] - [ 0.0000816500000000, 0.0001251400000000, -0.0000694800000000 ] - [ 0.0001585200000000, 0.0000740900000000, 0.0000307500000000 ] - [ -0.0008739600000000, 0.0001877700000000, -0.0006186500000000 ] - [ -0.0001108700000000, -0.0003876600000000, -0.0002549900000000 ] - [ -0.0004283800000000, -0.0008208600000000, 0.0001580600000000 ] - [ 0.0001724700000000, -0.0001043100000000, 0.0004373300000000 ] - [ 0.0003310200000000, -0.0003910100000000, 0.0003654900000000 ] - [ -0.0001043100000000, -0.0000141800000000, 0.0002667800000000 ] - [ -0.0003532400000000, -0.0002645900000000, 0.0000202300000000 ] - [ -0.0005416400000000, -0.0000228100000000, -0.0004543700000000 ] - [ -0.0000903100000000, -0.0003290600000000, -0.0001536000000000 ] - [ -0.0035464900000000, 0.0013195300000000, 0.0030577700000000 ] - [ -0.0002773600000000, -0.0002023500000000, 0.0002948400000000 ] - [ -0.0000618800000000, 0.0003309100000000, 0.0007088500000000 ] - [ 0.0005058200000000, 0.0044383400000000, -0.0007511700000000 ] - [ 0.0001323500000000, 0.0003984600000000, 0.0001747300000000 ] - [ -0.0000674100000000, 0.0001431800000000, 0.0001743900000000 ] - [ 0.0000423800000000, -0.0004089700000000, 0.0003270900000000 ] - [ 0.0005190000000000, 0.0002778800000000, -0.0007935800000000 ] - [ -0.0006097300000000, -0.0010336900000000, 0.0005559300000000 ] - [ -0.0000363900000000, -0.0002949500000000, 0.0008328400000000 ] - [ -0.0001249600000000, 0.0004431700000000, -0.0002539700000000 ] - [ 0.0003730900000000, -0.0001938100000000, -0.0000949200000000 ] - [ 0.0032988000000000, 0.0030661500000000, -0.0007105900000000 ] - [ 0.0000841000000000, 0.0000470400000000, -0.0002785300000000 ] - [ -0.0001509000000000, 0.0002720600000000, 0.0000354900000000 ] - [ 0.0000252700000000, -0.0000107400000000, -0.0002006300000000 ] - [ -0.0003406400000000, -0.0004004000000000, -0.0003738900000000 ] - [ 0.0000172100000000, -0.0002246600000000, 0.0001115300000000 ] - [ -0.0002522500000000, 0.0004418400000000, -0.0003268600000000 ] - [ 0.0013346000000000, -0.0001839400000000, 0.0002708100000000 ] - [ 0.0002407000000000, -0.0001529000000000, 0.0000389900000000 ] - [ 0.0002420600000000, 0.0000109200000000, 0.0003593000000000 ] - [ -0.0003451300000000, -0.0009293200000000, 0.0000803600000000 ] - [ 0.0003621600000000, 0.0000440400000000, -0.0001411800000000 ] - [ -0.0006480400000000, -0.0017066800000000, -0.0022170400000000 ] - [ 0.0000838500000000, 0.0001866600000000, 0.0001117500000000 ] - [ 0.0000070000000000, 0.0000137200000000, 0.0000125200000000 ] - [ 0.0013846600000000, 0.0001918600000000, 0.0009534900000000 ] - [ -0.0005116300000000, 0.0000479500000000, 0.0001187900000000 ] - [ -0.0015719400000000, -0.0001271900000000, -0.0004622200000000 ] - [ 0.0005507900000000, 0.0000158300000000, -0.0001420500000000 ] - [ -0.0003971000000000, -0.0000585400000000, -0.0002327100000000 ] - [ -0.0006050100000000, 0.0000196000000000, 0.0001418600000000 ] - [ -0.0002073900000000, 0.0002761000000000, 0.0000065700000000 ] - [ 0.0306423700000000, 0.0262371100000000, 0.0107803500000000 ] - [ -0.0001645000000000, -0.0003122400000000, -0.0000808700000000 ] - [ 0.0111564200000000, 0.0293020100000000, -0.0364443200000000 ] - [ -0.0004550200000000, 0.0000083300000000, -0.0001971100000000 ] - [ -0.0366454000000000, 0.1745940400000000, 0.0263853500000000 ] - [ 0.0000612400000000, 0.0003850900000000, 0.0002738700000000 ] - [ -0.0006366600000000, -0.0000288200000000, 0.0001808100000000 ] - [ 0.0003187900000000, 0.0001120200000000, 0.0002500300000000 ] - [ 0.0006572900000000, -0.0000307300000000, -0.0001718400000000 ] - [ -0.0005894100000000, 0.0000447800000000, -0.0002005900000000 ] - [ -0.0007117000000000, 0.0000631700000000, 0.0001722500000000 ] - [ 0.0107621400000000, 0.0302442200000000, -0.0364842400000000 ] - [ 0.0004543900000000, -0.0000575600000000, 0.0002550000000000 ] - [ -0.0003279600000000, -0.0002002800000000, 0.0001970300000000 ] - [ 0.0001815500000000, -0.0003082400000000, 0.0000824200000000 ] - [ 0.0301189600000000, 0.0266887200000000, 0.0104574700000000 ] - [ 0.0006248100000000, 0.0000197900000000, -0.0001333000000000 ] - [ 0.0002246500000000, 0.0002732400000000, -0.0000045500000000 ] - [ -0.0411374600000000, 0.1859400200000000, 0.0290595600000000 ] - [ 0.0005138700000000, 0.0000091800000000, 0.0002196100000000 ]- atom: 5 displacement: [ -0.0020666810454366, 0.0000000000000000, 0.0097841110713459 ] forces: - [ -0.0004336300000000, -0.0028391300000000, 0.0030882700000000 ] - [ -0.0004347000000000, -0.0026650000000000, 0.0030757000000000 ] - [ 0.0000548200000000, -0.0000581000000000, 0.0000182100000000 ] - [ 0.0000527600000000, 0.0001087000000000, 0.0000177200000000 ] - [ 0.0970052400000000, -0.0028023300000000, -0.4604830400000000 ] - [ -0.0021044500000000, 0.0005318600000000, 0.0083185000000000 ] - [ -0.0010392600000000, -0.0001471400000000, -0.0018482600000000 ] - [ 0.0010049800000000, -0.0001251600000000, 0.0017995600000000 ] - [ -0.0006077300000000, 0.0004382400000000, 0.0003193100000000 ] - [ -0.0008272700000000, -0.0014836300000000, -0.0014129400000000 ] - [ -0.0001828800000000, 0.0001632500000000, -0.0008544300000000 ] - [ 0.0002700800000000, -0.0000918400000000, 0.0004957000000000 ] - [ -0.0008435600000000, 0.0002809600000000, 0.0026837600000000 ] - [ 0.0003581200000000, -0.0003021200000000, -0.0004707500000000 ] - [ 0.0026582300000000, -0.0013472300000000, 0.0038914900000000 ] - [ -0.0006755000000000, 0.0003407200000000, -0.0010188600000000 ] - [ -0.0008374000000000, -0.0009500200000000, 0.0019432200000000 ] - [ -0.0001521900000000, 0.0006253600000000, -0.0000606600000000 ] - [ 0.0001983000000000, -0.0004409300000000, -0.0005496900000000 ] - [ -0.0016272100000000, 0.0025617400000000, 0.0020140100000000 ] - [ -0.0002446000000000, 0.0000646900000000, 0.0001655400000000 ] - [ 0.0005128800000000, 0.0000375300000000, -0.0006919600000000 ] - [ -0.0000308800000000, 0.0002260300000000, 0.0003015900000000 ] - [ 0.0007489600000000, -0.0001859100000000, 0.0002650100000000 ] - [ -0.0007556300000000, 0.0002334600000000, -0.0004398000000000 ] - [ 0.0003136800000000, 0.0001516400000000, -0.0016306600000000 ] - [ -0.0002827900000000, -0.0010881700000000, 0.0008762100000000 ] - [ -0.0002588200000000, -0.0005185900000000, 0.0001857100000000 ] - [ 0.0008281600000000, 0.0010229300000000, -0.0002072000000000 ] - [ 0.0006569000000000, 0.0004681300000000, 0.0004972600000000 ] - [ 0.0003604800000000, -0.0004647700000000, -0.0003718900000000 ] - [ -0.0000004200000000, 0.0000007200000000, 0.0005355900000000 ] - [ 0.0001260900000000, -0.0000678200000000, -0.0008056400000000 ] - [ 0.0010466400000000, 0.0001508000000000, -0.0006378200000000 ] - [ -0.0000688300000000, -0.0001636100000000, -0.0002636800000000 ] - [ -0.0006341700000000, 0.0005748700000000, -0.0007249900000000 ] - [ -0.0003262700000000, 0.0001808800000000, 0.0011632600000000 ] - [ -0.0000489500000000, -0.0003623600000000, 0.0001700600000000 ] - [ -0.0004743500000000, -0.0001200400000000, 0.0000186300000000 ] - [ -0.0000151400000000, 0.0000375500000000, -0.0002648500000000 ] - [ -0.0001952200000000, 0.0003487400000000, -0.0005275700000000 ] - [ -0.0003886900000000, -0.0004164800000000, 0.0002137400000000 ] - [ -0.0015981300000000, 0.0031864500000000, 0.0005532400000000 ] - [ 0.0006033900000000, -0.0001819200000000, 0.0007422200000000 ] - [ 0.0001880300000000, 0.0001881100000000, 0.0008933000000000 ] - [ -0.0005752300000000, -0.0000332800000000, -0.0012836200000000 ] - [ 0.0001677300000000, 0.0006271100000000, 0.0001650800000000 ] - [ 0.0002657900000000, 0.0000639800000000, -0.0001778600000000 ] - [ 0.0000844300000000, -0.0001657800000000, 0.0003708500000000 ] - [ -0.0010694200000000, -0.0001565200000000, 0.0015128300000000 ] - [ -0.0008266700000000, -0.0003446400000000, 0.0012288200000000 ] - [ -0.0001952000000000, -0.0004670400000000, 0.0005910000000000 ] - [ -0.0001629000000000, -0.0001524000000000, -0.0001076500000000 ] - [ 0.0001004300000000, 0.0001293800000000, 0.0001559000000000 ] - [ -0.0004415400000000, -0.0008272200000000, -0.0013478400000000 ] - [ 0.0004105300000000, -0.0000955900000000, 0.0000232400000000 ] - [ 0.0000021500000000, 0.0001794100000000, -0.0004571000000000 ] - [ -0.0003331700000000, -0.0001153000000000, -0.0004539500000000 ] - [ 0.0000757700000000, -0.0003640300000000, -0.0001904400000000 ] - [ -0.0003360200000000, -0.0003013000000000, 0.0004583300000000 ] - [ -0.0006300000000000, 0.0004697800000000, -0.0005173000000000 ] - [ 0.0002947900000000, -0.0002655100000000, 0.0015736100000000 ] - [ -0.0003954900000000, -0.0004129300000000, -0.0003529700000000 ] - [ -0.0002660500000000, 0.0002911000000000, 0.0010547400000000 ] - [ -0.0005653000000000, 0.0004695000000000, -0.0008122400000000 ] - [ 0.0006981100000000, 0.0003459800000000, -0.0004285000000000 ] - [ 0.0024380200000000, -0.0021411300000000, 0.0034772600000000 ] - [ 0.0000585000000000, 0.0000446900000000, -0.0007173100000000 ] - [ -0.0000698900000000, -0.0001110000000000, 0.0006240300000000 ] - [ 0.0014065100000000, 0.0002070200000000, 0.0004959600000000 ] - [ 0.0001838200000000, 0.0001420900000000, -0.0011428800000000 ] - [ 0.0003338700000000, -0.0001606400000000, -0.0004788200000000 ] - [ 0.0010898600000000, 0.0002085300000000, -0.0018520600000000 ] - [ -0.0009162500000000, -0.0000149500000000, -0.0006543600000000 ] - [ -0.0007340900000000, 0.0000913500000000, -0.0002161200000000 ] - [ -0.0001458400000000, 0.0002258800000000, 0.0004155700000000 ] - [ 0.0142842000000000, 0.0035088400000000, 0.0280319000000000 ] - [ -0.0002660700000000, -0.0003591700000000, -0.0004934700000000 ] - [ -0.0463268800000000, -0.0346528700000000, 0.1622587200000000 ] - [ 0.0000671800000000, 0.0000361400000000, 0.0002332400000000 ] - [ -0.0131843900000000, 0.0370008700000000, 0.0280377000000000 ] - [ 0.0008634700000000, -0.0002063400000000, -0.0026186900000000 ] - [ -0.0005381200000000, 0.0000498800000000, 0.0005388300000000 ] - [ 0.0007816800000000, -0.0002355500000000, -0.0012811400000000 ] - [ 0.0005266700000000, 0.0000400100000000, -0.0005328200000000 ] - [ -0.0001152700000000, -0.0002984900000000, -0.0017224800000000 ] - [ -0.0001711100000000, 0.0002578500000000, -0.0015349000000000 ] - [ -0.0499872100000000, -0.0373037400000000, 0.1730980000000000 ] - [ 0.0009657900000000, -0.0000248200000000, 0.0006758600000000 ] - [ 0.0004738400000000, -0.0007899800000000, -0.0026968100000000 ] - [ 0.0002427800000000, -0.0003564900000000, 0.0004942500000000 ] - [ 0.0140355300000000, 0.0036982900000000, 0.0280209300000000 ] - [ 0.0007225200000000, 0.0000996800000000, 0.0002217000000000 ] - [ 0.0001229000000000, 0.0002250000000000, -0.0004118100000000 ] - [ -0.0143263500000000, 0.0367954400000000, 0.0279550200000000 ] - [ -0.0000174500000000, 0.0000478600000000, -0.0002123500000000 ]- atom: 9 displacement: [ 0.0099986890339478, 0.0000000000000000, -0.0001619185054627 ] forces: - [ -0.0000090000000000, -0.0001034400000000, 0.0000121100000000 ] - [ -0.0000708500000000, 0.0000762500000000, -0.0000078600000000 ] - [ 0.0003276200000000, -0.0002108000000000, -0.0000610800000000 ] - [ 0.0000773300000000, 0.0000858800000000, 0.0000217100000000 ] - [ -0.0000329300000000, 0.0000171300000000, -0.0002658300000000 ] - [ 0.0010145400000000, -0.0000044900000000, 0.0005624200000000 ] - [ 0.0004309300000000, -0.0001776500000000, 0.0002664000000000 ] - [ 0.0001922400000000, 0.0012282200000000, 0.0007562400000000 ] - [ -0.0914825900000000, 0.0208562600000000, -0.0405976100000000 ] - [ -0.0002769100000000, -0.0004665400000000, 0.0000102400000000 ] - [ 0.0000241300000000, 0.0003214800000000, -0.0006939800000000 ] - [ 0.0000499700000000, -0.0001479200000000, -0.0000959400000000 ] - [ 0.0002031600000000, 0.0004025900000000, 0.0008954000000000 ] - [ 0.0006925600000000, 0.0024848300000000, -0.0025402400000000 ] - [ 0.0004907000000000, 0.0002916400000000, 0.0004137900000000 ] - [ -0.0000507100000000, 0.0001954800000000, 0.0001030800000000 ] - [ -0.0000780000000000, -0.0000535600000000, 0.0000241300000000 ] - [ -0.0001572100000000, 0.0005233900000000, -0.0002108600000000 ] - [ 0.0694924600000000, 0.0221085100000000, 0.0329064400000000 ] - [ -0.0001461000000000, -0.0002862400000000, 0.0006409400000000 ] - [ 0.0001195900000000, 0.0000694500000000, -0.0001304300000000 ] - [ -0.0000963300000000, -0.0002408600000000, -0.0001827400000000 ] - [ 0.0001714600000000, 0.0003170700000000, 0.0001420300000000 ] - [ 0.0001351000000000, -0.0002655700000000, -0.0002749000000000 ] - [ 0.0001954700000000, 0.0003620100000000, 0.0000783100000000 ] - [ -0.0000033300000000, -0.0000146500000000, -0.0002867500000000 ] - [ -0.0003632300000000, -0.0004098000000000, -0.0001985400000000 ] - [ 0.0003943600000000, -0.0007705100000000, 0.0001823900000000 ] - [ -0.0003136800000000, 0.0004676200000000, -0.0003368100000000 ] - [ 0.0003005500000000, 0.0004741800000000, 0.0003342300000000 ] - [ 0.0447723200000000, -0.0415263100000000, -0.0085613300000000 ] - [ -0.0109943500000000, -0.0000280900000000, 0.0088487300000000 ] - [ -0.0000015300000000, -0.0000763400000000, -0.0000181000000000 ] - [ 0.0004122900000000, 0.0001702600000000, -0.0000887000000000 ] - [ 0.0004424400000000, 0.0000573100000000, -0.0030185500000000 ] - [ -0.0000861300000000, 0.0003286400000000, 0.0001476000000000 ] - [ -0.0007040300000000, 0.0000823900000000, -0.0005270400000000 ] - [ -0.0141233800000000, -0.0056115600000000, 0.0137886500000000 ] - [ -0.0002116300000000, 0.0005400400000000, -0.0004618400000000 ] - [ -0.0003915900000000, -0.0001216900000000, 0.0000457900000000 ] - [ -0.0003711000000000, 0.0001658200000000, 0.0000984500000000 ] - [ -0.0001735200000000, -0.0002645500000000, -0.0000164300000000 ] - [ -0.0000151500000000, 0.0003191900000000, -0.0007275200000000 ] - [ -0.0000428600000000, 0.0000023900000000, 0.0002412100000000 ] - [ -0.0000247800000000, 0.0003223600000000, 0.0007648400000000 ] - [ 0.0000509800000000, -0.0001982400000000, -0.0001541800000000 ] - [ 0.0001148200000000, 0.0003893800000000, 0.0002370900000000 ] - [ -0.0000320200000000, 0.0001848400000000, 0.0001700900000000 ] - [ 0.0002185000000000, -0.0005605600000000, 0.0001995200000000 ] - [ -0.0001161500000000, 0.0003980600000000, -0.0002021500000000 ] - [ 0.0000179200000000, -0.0003122300000000, -0.0007315200000000 ] - [ -0.0000655600000000, -0.0004249900000000, 0.0003392700000000 ] - [ 0.0000236500000000, 0.0001826200000000, -0.0001219400000000 ] - [ 0.0003511200000000, -0.0001358900000000, -0.0000873300000000 ] - [ 0.0001728000000000, 0.0003176700000000, 0.0000453300000000 ] - [ -0.0000514900000000, -0.0000319000000000, -0.0002547500000000 ] - [ -0.0001866400000000, 0.0003085400000000, -0.0000561100000000 ] - [ 0.0000726900000000, 0.0000119000000000, -0.0002627000000000 ] - [ 0.0001928300000000, -0.0006064700000000, -0.0001905900000000 ] - [ 0.0001464700000000, 0.0003423100000000, 0.0002188300000000 ] - [ -0.0002986500000000, 0.0004080500000000, -0.0003558700000000 ] - [ 0.0003248700000000, 0.0004159000000000, 0.0003555200000000 ] - [ 0.0001990400000000, -0.0003410500000000, 0.0000429700000000 ] - [ 0.0000288600000000, 0.0000734600000000, -0.0000159700000000 ] - [ 0.0000433300000000, -0.0000550100000000, -0.0000585200000000 ] - [ 0.0004244300000000, 0.0001646900000000, -0.0000138800000000 ] - [ -0.0001264900000000, -0.0003881800000000, -0.0002396600000000 ] - [ -0.0000397500000000, 0.0000386000000000, 0.0000366000000000 ] - [ -0.0000370600000000, -0.0000608700000000, 0.0000657100000000 ] - [ 0.0002750200000000, -0.0004151200000000, 0.0003331300000000 ] - [ -0.0000930500000000, 0.0000122600000000, 0.0002148100000000 ] - [ -0.0003355000000000, -0.0001488700000000, 0.0000698600000000 ] - [ 0.0005314200000000, 0.0000873900000000, -0.0002759800000000 ] - [ -0.0008630000000000, -0.0006094000000000, -0.0005733800000000 ] - [ -0.0001232300000000, 0.0004768900000000, -0.0002030500000000 ] - [ -0.0002389500000000, 0.0003175200000000, -0.0001024900000000 ] - [ 0.0004778800000000, -0.0000363200000000, 0.0002875800000000 ] - [ -0.0000412900000000, -0.0009615900000000, 0.0000266200000000 ] - [ 0.0001750000000000, -0.0003092900000000, 0.0001233500000000 ] - [ -0.0004795500000000, 0.0001009200000000, -0.0003544800000000 ] - [ 0.0006319800000000, 0.0000287000000000, -0.0000992300000000 ] - [ 0.0001758700000000, 0.0002247700000000, -0.0001848600000000 ] - [ -0.0007325700000000, 0.0000874700000000, 0.0000668600000000 ] - [ -0.0000920300000000, 0.0000277400000000, 0.0001207600000000 ] - [ 0.0008589300000000, -0.0002639600000000, -0.0003798400000000 ] - [ -0.0005204400000000, -0.0000326500000000, -0.0002816200000000 ] - [ -0.0007487800000000, -0.0001035600000000, 0.0001049700000000 ] - [ -0.0001751700000000, 0.0002721400000000, 0.0000493200000000 ] - [ 0.0003116200000000, -0.0000502600000000, 0.0001879000000000 ] - [ -0.0003219600000000, -0.0002611700000000, 0.0000085000000000 ] - [ 0.0000506400000000, -0.0002903800000000, 0.0000071300000000 ] - [ -0.0004329500000000, 0.0000276500000000, -0.0001797100000000 ] - [ 0.0005244600000000, 0.0000194600000000, -0.0001614400000000 ] - [ 0.0001550900000000, 0.0002161600000000, -0.0001196100000000 ] - [ -0.0006255500000000, -0.0000200100000000, 0.0002058700000000 ] - [ 0.0005092600000000, -0.0000069500000000, 0.0001612400000000 ]- atom: 9 displacement: [ -0.0099986890339478, 0.0000000000000000, 0.0001619185054627 ] forces: - [ 0.0000100800000000, -0.0000640500000000, -0.0000123600000000 ] - [ 0.0000737600000000, 0.0000907800000000, 0.0000083300000000 ] - [ -0.0003317500000000, 0.0000460600000000, 0.0000519600000000 ] - [ -0.0000773600000000, 0.0000817000000000, -0.0000213300000000 ] - [ 0.0000319200000000, -0.0000175200000000, 0.0002729700000000 ] - [ -0.0010273000000000, 0.0000059700000000, -0.0005777400000000 ] - [ -0.0004245100000000, 0.0001768000000000, -0.0002581400000000 ] - [ -0.0002002100000000, -0.0012007700000000, -0.0007551400000000 ] - [ 0.0898544000000000, -0.0207207100000000, 0.0392648100000000 ] - [ -0.0000801200000000, -0.0001725500000000, -0.0001008100000000 ] - [ -0.0000184500000000, 0.0003147300000000, -0.0007454100000000 ] - [ -0.0001953700000000, 0.0001453800000000, 0.0005556500000000 ] - [ -0.0002083700000000, 0.0002360700000000, 0.0005444400000000 ] - [ -0.0006023500000000, -0.0028541400000000, 0.0021762700000000 ] - [ -0.0002483300000000, 0.0004934900000000, 0.0000256600000000 ] - [ -0.0000366000000000, 0.0001671900000000, 0.0001954000000000 ] - [ 0.0003180300000000, -0.0007369800000000, 0.0004132900000000 ] - [ -0.0000787000000000, 0.0002626600000000, -0.0002210900000000 ] - [ -0.0684788500000000, -0.0219508200000000, -0.0327801600000000 ] - [ 0.0001402900000000, -0.0003491400000000, 0.0008006500000000 ] - [ -0.0000284000000000, 0.0002953000000000, -0.0001733100000000 ] - [ 0.0008004000000000, -0.0000765200000000, 0.0000308200000000 ] - [ 0.0001835500000000, 0.0003222200000000, -0.0000487900000000 ] - [ 0.0000193600000000, 0.0002599700000000, -0.0001918500000000 ] - [ -0.0005502400000000, 0.0002785600000000, -0.0001785100000000 ] - [ 0.0001415500000000, 0.0000117900000000, -0.0001788000000000 ] - [ -0.0002221100000000, -0.0004304300000000, -0.0004862000000000 ] - [ -0.0004917700000000, 0.0004237200000000, 0.0001151600000000 ] - [ -0.0002721600000000, 0.0003717800000000, -0.0003485600000000 ] - [ 0.0002823100000000, 0.0003644600000000, 0.0003485600000000 ] - [ -0.0444004900000000, 0.0401290800000000, 0.0086686000000000 ] - [ 0.0110396800000000, 0.0001924600000000, -0.0089403900000000 ] - [ 0.0000735100000000, -0.0000381700000000, -0.0000633000000000 ] - [ 0.0002916600000000, 0.0001341700000000, -0.0000792300000000 ] - [ -0.0006647900000000, -0.0008181100000000, 0.0025447400000000 ] - [ 0.0000143100000000, -0.0002150500000000, -0.0000674100000000 ] - [ 0.0006264800000000, -0.0001882700000000, 0.0006107400000000 ] - [ 0.0146111700000000, 0.0048109400000000, -0.0130672200000000 ] - [ 0.0000488200000000, -0.0005294000000000, 0.0009438000000000 ] - [ -0.0003121100000000, -0.0001825400000000, 0.0001216500000000 ] - [ -0.0003319900000000, 0.0001384500000000, 0.0000688100000000 ] - [ -0.0001813500000000, -0.0003749300000000, -0.0000759900000000 ] - [ 0.0000209800000000, 0.0003158500000000, -0.0007131300000000 ] - [ -0.0000971100000000, -0.0000038500000000, 0.0002239200000000 ] - [ 0.0000192400000000, 0.0003130000000000, 0.0006764100000000 ] - [ 0.0000379700000000, -0.0001671100000000, -0.0001456900000000 ] - [ 0.0001232900000000, 0.0003954400000000, 0.0001957200000000 ] - [ -0.0000566600000000, 0.0001798400000000, 0.0001302200000000 ] - [ 0.0000194900000000, -0.0002252600000000, 0.0002339800000000 ] - [ -0.0001223200000000, 0.0003867400000000, -0.0002306600000000 ] - [ -0.0000126200000000, -0.0003229000000000, -0.0007093300000000 ] - [ 0.0000567000000000, -0.0002118700000000, 0.0011026700000000 ] - [ 0.0000666500000000, 0.0001828600000000, -0.0001779900000000 ] - [ 0.0003529700000000, -0.0001678300000000, -0.0000812500000000 ] - [ 0.0001826400000000, 0.0003216800000000, 0.0000461500000000 ] - [ 0.0001908900000000, 0.0000355000000000, -0.0002122100000000 ] - [ -0.0001683300000000, 0.0003306500000000, -0.0000359100000000 ] - [ 0.0000675400000000, -0.0000130000000000, -0.0002021300000000 ] - [ -0.0007774300000000, -0.0002345800000000, -0.0004942100000000 ] - [ -0.0002269100000000, -0.0007038600000000, 0.0000784300000000 ] - [ -0.0002848000000000, 0.0004317600000000, -0.0003266400000000 ] - [ 0.0002587200000000, 0.0004236000000000, 0.0003271500000000 ] - [ 0.0001564900000000, -0.0002978600000000, 0.0000490400000000 ] - [ 0.0000438100000000, 0.0000407100000000, -0.0000676000000000 ] - [ 0.0000296600000000, -0.0000593800000000, -0.0000243900000000 ] - [ 0.0002801100000000, 0.0001420100000000, -0.0001544300000000 ] - [ -0.0001119000000000, -0.0003961600000000, -0.0001936200000000 ] - [ -0.0000324900000000, 0.0000760100000000, 0.0000470600000000 ] - [ -0.0000353100000000, -0.0000536300000000, 0.0000178300000000 ] - [ 0.0003093400000000, -0.0004237300000000, 0.0003501600000000 ] - [ -0.0000460000000000, -0.0000110300000000, 0.0002501200000000 ] - [ -0.0003673500000000, -0.0001557500000000, 0.0000972800000000 ] - [ 0.0007332400000000, -0.0001271700000000, -0.0000396600000000 ] - [ -0.0000271500000000, 0.0005333600000000, 0.0001254100000000 ] - [ -0.0011266400000000, -0.0004350900000000, 0.0005178700000000 ] - [ -0.0001514100000000, 0.0002645600000000, 0.0000255700000000 ] - [ 0.0004228300000000, -0.0000253100000000, 0.0001544700000000 ] - [ -0.0003432900000000, 0.0003699600000000, -0.0001061200000000 ] - [ 0.0002159800000000, -0.0002728700000000, -0.0000461200000000 ] - [ -0.0004186800000000, -0.0000379400000000, -0.0000912000000000 ] - [ 0.0006329000000000, 0.0000079200000000, -0.0002213900000000 ] - [ 0.0002130900000000, 0.0003594800000000, 0.0002664500000000 ] - [ -0.0005316700000000, -0.0001257100000000, 0.0002492000000000 ] - [ 0.0009918800000000, 0.0000352800000000, 0.0003251400000000 ] - [ 0.0004076200000000, 0.0002255000000000, 0.0000606900000000 ] - [ -0.0003772800000000, -0.0000313000000000, -0.0001602900000000 ] - [ -0.0005148600000000, 0.0001415400000000, 0.0002161500000000 ] - [ -0.0002137000000000, 0.0003111600000000, -0.0001311600000000 ] - [ 0.0005819400000000, -0.0000127100000000, 0.0002540700000000 ] - [ -0.0000664000000000, -0.0003219300000000, -0.0000850800000000 ] - [ 0.0003362100000000, -0.0002929000000000, 0.0000727900000000 ] - [ -0.0004629600000000, 0.0000353100000000, -0.0002641900000000 ] - [ 0.0007382000000000, 0.0000175400000000, -0.0001592500000000 ] - [ 0.0002363200000000, 0.0003652900000000, 0.0001956500000000 ] - [ -0.0006388500000000, -0.0000154300000000, 0.0001119200000000 ] - [ 0.0003878000000000, 0.0000699800000000, 0.0002815900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000447300000000, -0.0000444300000000, -0.0000385800000000 ] - [ 0.0001120300000000, 0.0001262800000000, 0.0000129000000000 ] - [ -0.0003220000000000, -0.0001106900000000, -0.0007414400000000 ] - [ -0.0000507800000000, 0.0000614500000000, 0.0000371700000000 ] - [ 0.0000295800000000, -0.0000374100000000, 0.0002916600000000 ] - [ 0.0001547800000000, -0.0001088800000000, -0.0001594900000000 ] - [ -0.0001711500000000, -0.0001812200000000, 0.0001514300000000 ] - [ 0.0000745500000000, 0.0000249400000000, 0.0000253700000000 ] - [ 0.0189683300000000, -0.1113692100000000, -0.0196480200000000 ] - [ -0.0001165400000000, -0.0004556100000000, -0.0000599300000000 ] - [ 0.0000255700000000, 0.0003250700000000, -0.0006606300000000 ] - [ -0.0000014500000000, -0.0000204700000000, 0.0002439500000000 ] - [ -0.0000796100000000, 0.0000407100000000, 0.0005792000000000 ] - [ -0.0019164600000000, -0.0022076000000000, -0.0041145200000000 ] - [ -0.0003862100000000, 0.0002044100000000, 0.0001120400000000 ] - [ 0.0000195900000000, 0.0002093700000000, 0.0001250100000000 ] - [ 0.0002885500000000, -0.0006406500000000, 0.0003844100000000 ] - [ -0.0001431300000000, 0.0003825800000000, -0.0002134000000000 ] - [ 0.0202432100000000, 0.0200200400000000, 0.0043232900000000 ] - [ 0.0001464900000000, -0.0002744200000000, 0.0007570100000000 ] - [ 0.0000986400000000, 0.0002012100000000, -0.0001963100000000 ] - [ 0.0002625100000000, 0.0002192000000000, -0.0005070000000000 ] - [ 0.0001162000000000, 0.0003610000000000, 0.0001202600000000 ] - [ -0.0000381200000000, 0.0003759700000000, -0.0005259800000000 ] - [ -0.0003354100000000, 0.0004999900000000, 0.0000406500000000 ] - [ 0.0000872100000000, -0.0001051500000000, -0.0003192900000000 ] - [ -0.0004937600000000, -0.0003923200000000, -0.0003441800000000 ] - [ -0.0006096000000000, 0.0002174200000000, 0.0002051100000000 ] - [ -0.0003441300000000, 0.0003648400000000, -0.0003214600000000 ] - [ 0.0002242500000000, 0.0004429000000000, 0.0004197900000000 ] - [ -0.0450291500000000, 0.0660096200000000, 0.0181568600000000 ] - [ 0.0115183100000000, 0.0243054900000000, -0.0154859400000000 ] - [ 0.0000528000000000, -0.0000374700000000, -0.0000606500000000 ] - [ 0.0003318100000000, 0.0002579200000000, -0.0001149800000000 ] - [ 0.0012056600000000, -0.0004231300000000, 0.0022881600000000 ] - [ -0.0001838200000000, 0.0001723800000000, 0.0001959400000000 ] - [ 0.0008825600000000, 0.0002045100000000, 0.0010271900000000 ] - [ -0.0046372500000000, 0.0009408500000000, 0.0118149500000000 ] - [ -0.0007673000000000, -0.0003706700000000, 0.0024257400000000 ] - [ -0.0003813700000000, -0.0001698600000000, 0.0000710200000000 ] - [ -0.0003370800000000, 0.0001589000000000, 0.0000947000000000 ] - [ -0.0001069900000000, -0.0003166400000000, -0.0000467500000000 ] - [ 0.0000094900000000, 0.0003045800000000, -0.0007152600000000 ] - [ -0.0000830600000000, -0.0000063800000000, 0.0002149600000000 ] - [ -0.0000192800000000, 0.0003165500000000, 0.0007227000000000 ] - [ 0.0000311500000000, -0.0001966400000000, -0.0001244400000000 ] - [ 0.0001068400000000, 0.0003855100000000, 0.0002233300000000 ] - [ -0.0000557300000000, 0.0001899200000000, 0.0001765800000000 ] - [ 0.0000952900000000, -0.0003852000000000, 0.0002514400000000 ] - [ -0.0001312100000000, 0.0003915400000000, -0.0002151800000000 ] - [ -0.0000186300000000, -0.0003014200000000, -0.0007309700000000 ] - [ 0.0001044100000000, -0.0002231200000000, 0.0007402400000000 ] - [ 0.0000539900000000, 0.0001942300000000, -0.0001650500000000 ] - [ 0.0003667700000000, -0.0001514100000000, -0.0000960300000000 ] - [ 0.0001741000000000, 0.0003259400000000, 0.0000265900000000 ] - [ -0.0000536200000000, -0.0000071400000000, -0.0002567700000000 ] - [ -0.0001869300000000, 0.0003244800000000, -0.0000483300000000 ] - [ 0.0000950300000000, -0.0000008900000000, -0.0002263600000000 ] - [ -0.0001322900000000, -0.0003263700000000, -0.0003466300000000 ] - [ 0.0001837400000000, -0.0000801000000000, 0.0000475800000000 ] - [ -0.0002768800000000, 0.0004158600000000, -0.0003300900000000 ] - [ 0.0002766100000000, 0.0004246100000000, 0.0003320000000000 ] - [ 0.0001615600000000, -0.0003256100000000, 0.0000475500000000 ] - [ 0.0000444000000000, 0.0000537500000000, -0.0000550000000000 ] - [ 0.0000400600000000, -0.0000578900000000, -0.0000078300000000 ] - [ 0.0003419300000000, 0.0000670900000000, 0.0000111700000000 ] - [ -0.0001161100000000, -0.0003985900000000, -0.0002108500000000 ] - [ -0.0000722100000000, 0.0000720500000000, 0.0000804100000000 ] - [ -0.0000302300000000, -0.0000630300000000, 0.0000336700000000 ] - [ 0.0003017500000000, -0.0004146200000000, 0.0003333300000000 ] - [ -0.0000478400000000, 0.0000082100000000, 0.0002387200000000 ] - [ -0.0003537200000000, -0.0001583200000000, 0.0000991500000000 ] - [ 0.0006383200000000, -0.0000009000000000, -0.0001239300000000 ] - [ -0.0004204900000000, -0.0000418500000000, -0.0001236200000000 ] - [ -0.0000390300000000, 0.0003783300000000, 0.0001412300000000 ] - [ -0.0001591800000000, 0.0003139400000000, -0.0001158500000000 ] - [ 0.0004418100000000, -0.0000118500000000, 0.0001637600000000 ] - [ -0.0000569400000000, -0.0004013800000000, -0.0001044100000000 ] - [ 0.0002114700000000, -0.0002770300000000, -0.0000252700000000 ] - [ -0.0003685400000000, 0.0001325500000000, -0.0001589500000000 ] - [ 0.0006320000000000, 0.0000136900000000, -0.0002268900000000 ] - [ 0.0001336100000000, 0.0003256700000000, 0.0001208300000000 ] - [ -0.0006174600000000, 0.0000861300000000, 0.0000782500000000 ] - [ 0.0004862800000000, 0.0001312300000000, 0.0002770800000000 ] - [ 0.0006253600000000, -0.0000218400000000, -0.0001466500000000 ] - [ -0.0004674400000000, -0.0000194700000000, -0.0001982800000000 ] - [ -0.0006491200000000, 0.0000325300000000, 0.0001961200000000 ] - [ -0.0002292900000000, 0.0003293200000000, -0.0001860400000000 ] - [ 0.0004114300000000, -0.0000295400000000, 0.0001666800000000 ] - [ -0.0002110100000000, -0.0002733300000000, 0.0000026300000000 ] - [ 0.0001976000000000, -0.0002017000000000, -0.0000789400000000 ] - [ -0.0004854700000000, 0.0000313900000000, -0.0002709300000000 ] - [ 0.0006655500000000, -0.0000627000000000, -0.0001847300000000 ] - [ 0.0002180400000000, 0.0003023300000000, 0.0000277600000000 ] - [ -0.0006397300000000, -0.0000193700000000, 0.0001143000000000 ] - [ 0.0005262600000000, 0.0000450400000000, 0.0002599400000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000449600000000, -0.0001223200000000, 0.0000384600000000 ] - [ -0.0001149600000000, 0.0000399500000000, -0.0000137600000000 ] - [ 0.0003218500000000, -0.0000410100000000, 0.0007477800000000 ] - [ 0.0000529600000000, 0.0001063500000000, -0.0000382000000000 ] - [ -0.0000307400000000, 0.0000389500000000, -0.0003018600000000 ] - [ -0.0001652300000000, 0.0001105000000000, 0.0001668800000000 ] - [ 0.0001664400000000, 0.0001723800000000, -0.0001714300000000 ] - [ -0.0000844100000000, -0.0000372900000000, -0.0000177300000000 ] - [ -0.0220177200000000, 0.1163504600000000, 0.0199751100000000 ] - [ -0.0002399300000000, -0.0001870200000000, -0.0000330500000000 ] - [ -0.0000207700000000, 0.0003111300000000, -0.0007809000000000 ] - [ -0.0001380400000000, 0.0000190800000000, 0.0002180000000000 ] - [ 0.0000712500000000, 0.0005926500000000, 0.0008587900000000 ] - [ 0.0019893300000000, 0.0018587300000000, 0.0038011800000000 ] - [ 0.0006333800000000, 0.0005814900000000, 0.0003216200000000 ] - [ -0.0001096200000000, 0.0001571200000000, 0.0001763400000000 ] - [ -0.0000567200000000, -0.0001472900000000, 0.0000528200000000 ] - [ -0.0000959400000000, 0.0004043400000000, -0.0002202300000000 ] - [ -0.0197472700000000, -0.0204107800000000, -0.0051349200000000 ] - [ -0.0001461700000000, -0.0003611700000000, 0.0006854300000000 ] - [ -0.0000124100000000, 0.0001622000000000, -0.0001010100000000 ] - [ 0.0004423000000000, -0.0005193100000000, 0.0003335100000000 ] - [ 0.0002397000000000, 0.0002775600000000, -0.0000292600000000 ] - [ 0.0001803000000000, -0.0003594800000000, 0.0000703200000000 ] - [ -0.0000195200000000, 0.0001425600000000, -0.0001336200000000 ] - [ 0.0000530200000000, 0.0001046100000000, -0.0001446800000000 ] - [ -0.0000867700000000, -0.0004475900000000, -0.0003414300000000 ] - [ 0.0005091300000000, -0.0005819900000000, 0.0000928300000000 ] - [ -0.0002373100000000, 0.0004745900000000, -0.0003598100000000 ] - [ 0.0003599500000000, 0.0003947300000000, 0.0002618300000000 ] - [ 0.0471787500000000, -0.0712162500000000, -0.0189801000000000 ] - [ -0.0113856000000000, -0.0245850100000000, 0.0154527000000000 ] - [ 0.0000198200000000, -0.0000782100000000, -0.0000224000000000 ] - [ 0.0003710200000000, 0.0000481200000000, -0.0000534100000000 ] - [ -0.0014501700000000, -0.0004180200000000, -0.0026846900000000 ] - [ 0.0001138500000000, -0.0000537100000000, -0.0001118100000000 ] - [ -0.0009625700000000, -0.0003319000000000, -0.0009479900000000 ] - [ 0.0052188700000000, -0.0017181300000000, -0.0110553800000000 ] - [ 0.0006439600000000, 0.0003720800000000, -0.0019704000000000 ] - [ -0.0003220300000000, -0.0001328900000000, 0.0000971500000000 ] - [ -0.0003666300000000, 0.0001454000000000, 0.0000729100000000 ] - [ -0.0002482500000000, -0.0003231100000000, -0.0000450400000000 ] - [ -0.0000046100000000, 0.0003309200000000, -0.0007265600000000 ] - [ -0.0000560100000000, 0.0000056200000000, 0.0002509200000000 ] - [ 0.0000147700000000, 0.0003185200000000, 0.0007184300000000 ] - [ 0.0000576400000000, -0.0001693000000000, -0.0001762200000000 ] - [ 0.0001324200000000, 0.0003997800000000, 0.0002090400000000 ] - [ -0.0000320300000000, 0.0001747200000000, 0.0001224600000000 ] - [ 0.0001442200000000, -0.0004014600000000, 0.0001815800000000 ] - [ -0.0001077500000000, 0.0003932100000000, -0.0002180800000000 ] - [ 0.0000234800000000, -0.0003334000000000, -0.0007092700000000 ] - [ -0.0001145300000000, -0.0004111000000000, 0.0006951200000000 ] - [ 0.0000343900000000, 0.0001713400000000, -0.0001343700000000 ] - [ 0.0003369900000000, -0.0001521000000000, -0.0000717600000000 ] - [ 0.0001814000000000, 0.0003128000000000, 0.0000658100000000 ] - [ 0.0001962400000000, 0.0000070900000000, -0.0002079700000000 ] - [ -0.0001677100000000, 0.0003145900000000, -0.0000435200000000 ] - [ 0.0000439000000000, 0.0000001800000000, -0.0002386200000000 ] - [ -0.0004488200000000, -0.0005173200000000, -0.0003324300000000 ] - [ -0.0002752900000000, -0.0002819800000000, 0.0002543600000000 ] - [ -0.0003070200000000, 0.0004239900000000, -0.0003528700000000 ] - [ 0.0003080400000000, 0.0004140700000000, 0.0003512800000000 ] - [ 0.0001935700000000, -0.0003135800000000, 0.0000446500000000 ] - [ 0.0000277700000000, 0.0000608600000000, -0.0000277800000000 ] - [ 0.0000324000000000, -0.0000564800000000, -0.0000765700000000 ] - [ 0.0003635400000000, 0.0002392600000000, -0.0001802200000000 ] - [ -0.0001229500000000, -0.0003860500000000, -0.0002226900000000 ] - [ 0.0000002000000000, 0.0000422400000000, 0.0000025500000000 ] - [ -0.0000421900000000, -0.0000513100000000, 0.0000502700000000 ] - [ 0.0002811400000000, -0.0004244700000000, 0.0003490300000000 ] - [ -0.0000923100000000, -0.0000071400000000, 0.0002253500000000 ] - [ -0.0003492600000000, -0.0001458500000000, 0.0000670800000000 ] - [ 0.0006276200000000, -0.0000397500000000, -0.0001960600000000 ] - [ -0.0004672200000000, -0.0000352900000000, -0.0003301700000000 ] - [ -0.0012140500000000, -0.0003379800000000, 0.0001686000000000 ] - [ -0.0002323800000000, 0.0002671400000000, 0.0000450800000000 ] - [ 0.0004554500000000, -0.0000512700000000, 0.0002819000000000 ] - [ -0.0003340300000000, -0.0001743300000000, 0.0000218400000000 ] - [ 0.0001774600000000, -0.0003067600000000, 0.0001084400000000 ] - [ -0.0005261800000000, -0.0000657800000000, -0.0002758400000000 ] - [ 0.0006324500000000, 0.0000261900000000, -0.0000899000000000 ] - [ 0.0002586900000000, 0.0002576400000000, -0.0000435800000000 ] - [ -0.0006463800000000, -0.0001251300000000, 0.0002431500000000 ] - [ 0.0004122300000000, -0.0000670000000000, 0.0001648600000000 ] - [ 0.0006388200000000, -0.0000113900000000, -0.0001718400000000 ] - [ -0.0004268700000000, -0.0000452600000000, -0.0002455400000000 ] - [ -0.0006132400000000, 0.0000080500000000, 0.0001205700000000 ] - [ -0.0001580500000000, 0.0002527100000000, 0.0001099800000000 ] - [ 0.0004861200000000, -0.0000324700000000, 0.0002787400000000 ] - [ -0.0001774600000000, -0.0003114400000000, -0.0000844700000000 ] - [ 0.0001923000000000, -0.0003778200000000, 0.0001604200000000 ] - [ -0.0004077700000000, 0.0000317200000000, -0.0001705500000000 ] - [ 0.0006001600000000, 0.0001051100000000, -0.0001280400000000 ] - [ 0.0001736500000000, 0.0002807100000000, 0.0000456800000000 ] - [ -0.0006239100000000, -0.0000186300000000, 0.0002061800000000 ] - [ 0.0003688600000000, 0.0000208400000000, 0.0001810000000000 ]- atom: 9 displacement: [ -0.0020666810454366, 0.0000000000000000, 0.0097841110713459 ] forces: - [ 0.0000461400000000, -0.0000693000000000, -0.0000118300000000 ] - [ 0.0001329700000000, 0.0000741000000000, 0.0000282300000000 ] - [ 0.0002937900000000, -0.0005605400000000, 0.0005087000000000 ] - [ 0.0000082600000000, 0.0001002600000000, -0.0000653500000000 ] - [ 0.0001073100000000, -0.0000181000000000, 0.0003164600000000 ] - [ -0.0002109200000000, 0.0000592200000000, -0.0004663700000000 ] - [ -0.0006310900000000, -0.0004859200000000, -0.0007764500000000 ] - [ 0.0007580500000000, 0.0002910100000000, -0.0005417100000000 ] - [ -0.0221678300000000, -0.0239527800000000, -0.0614760800000000 ] - [ -0.0001572400000000, -0.0002434500000000, -0.0000727400000000 ] - [ 0.0000505400000000, 0.0003368900000000, -0.0007476100000000 ] - [ -0.0001941100000000, 0.0000570700000000, -0.0000011800000000 ] - [ 0.0000518400000000, 0.0004598900000000, 0.0007392200000000 ] - [ -0.0002585400000000, 0.0026698900000000, 0.0011158300000000 ] - [ 0.0002988300000000, 0.0002778000000000, 0.0003864800000000 ] - [ 0.0000274900000000, 0.0001251000000000, 0.0000550300000000 ] - [ 0.0003153500000000, -0.0005664900000000, 0.0004030500000000 ] - [ -0.0000718900000000, 0.0003547900000000, -0.0001418000000000 ] - [ 0.0261301900000000, 0.0136317700000000, 0.0258504400000000 ] - [ 0.0000560500000000, -0.0003563300000000, 0.0007997500000000 ] - [ 0.0000597800000000, 0.0002186200000000, -0.0001972500000000 ] - [ 0.0003404900000000, -0.0005427400000000, 0.0002960100000000 ] - [ 0.0002501500000000, 0.0003157100000000, 0.0000142600000000 ] - [ -0.0000642300000000, 0.0002770000000000, -0.0001830200000000 ] - [ -0.0001465600000000, 0.0001959300000000, -0.0004353200000000 ] - [ -0.0000362400000000, -0.0000480600000000, -0.0003433100000000 ] - [ -0.0002203800000000, -0.0005045300000000, -0.0004529900000000 ] - [ -0.0004261000000000, 0.0001445800000000, 0.0000693500000000 ] - [ -0.0003791800000000, 0.0004418300000000, -0.0003893400000000 ] - [ 0.0002325100000000, 0.0003564300000000, 0.0002693200000000 ] - [ -0.0149821700000000, 0.0097866900000000, 0.0161087000000000 ] - [ 0.0085187300000000, -0.0003469600000000, -0.0035263900000000 ] - [ 0.0000060400000000, -0.0000799900000000, -0.0000163100000000 ] - [ 0.0003328300000000, 0.0001768400000000, -0.0001112100000000 ] - [ -0.0002781100000000, -0.0050244400000000, -0.0000957400000000 ] - [ 0.0001424300000000, -0.0000038400000000, -0.0001092500000000 ] - [ -0.0002951200000000, 0.0002872200000000, 0.0002502200000000 ] - [ 0.0022519700000000, 0.0007687800000000, 0.0218776800000000 ] - [ 0.0010100800000000, 0.0011530600000000, -0.0015133200000000 ] - [ -0.0003783300000000, -0.0001447200000000, 0.0001716800000000 ] - [ -0.0003322600000000, 0.0001589600000000, 0.0000863800000000 ] - [ -0.0002065200000000, -0.0003109200000000, -0.0000866600000000 ] - [ 0.0000237300000000, 0.0003103200000000, -0.0007079500000000 ] - [ -0.0000893400000000, -0.0000157300000000, 0.0002118700000000 ] - [ 0.0000201000000000, 0.0003317900000000, 0.0006731100000000 ] - [ 0.0000419700000000, -0.0002018600000000, -0.0001342300000000 ] - [ 0.0001194000000000, 0.0003842700000000, 0.0001820600000000 ] - [ -0.0000534100000000, 0.0001836500000000, 0.0001270500000000 ] - [ 0.0002127300000000, -0.0004026200000000, 0.0003002000000000 ] - [ -0.0001208400000000, 0.0003945200000000, -0.0002233800000000 ] - [ -0.0000118800000000, -0.0003044400000000, -0.0007238700000000 ] - [ -0.0001015800000000, -0.0002698100000000, 0.0007602200000000 ] - [ 0.0000706700000000, 0.0001754600000000, -0.0001631900000000 ] - [ 0.0003488200000000, -0.0001660200000000, -0.0000641200000000 ] - [ 0.0001734900000000, 0.0003260200000000, 0.0000210400000000 ] - [ -0.0000436900000000, -0.0001451800000000, -0.0002457800000000 ] - [ -0.0001499400000000, 0.0003141100000000, -0.0000702100000000 ] - [ 0.0000609900000000, -0.0000042900000000, -0.0002079200000000 ] - [ -0.0000672800000000, -0.0002763000000000, -0.0002263500000000 ] - [ -0.0001897700000000, -0.0001637700000000, 0.0002140000000000 ] - [ -0.0002898700000000, 0.0004227400000000, -0.0003407300000000 ] - [ 0.0002578200000000, 0.0004384900000000, 0.0003220200000000 ] - [ 0.0001636700000000, -0.0003335700000000, 0.0000325700000000 ] - [ 0.0000606000000000, 0.0000634700000000, -0.0000554600000000 ] - [ 0.0000382700000000, -0.0000555500000000, -0.0000040400000000 ] - [ 0.0004044700000000, 0.0000556700000000, -0.0000455700000000 ] - [ -0.0001180900000000, -0.0003977300000000, -0.0001935000000000 ] - [ -0.0000377500000000, 0.0000751100000000, 0.0000826200000000 ] - [ -0.0000308100000000, -0.0000453500000000, 0.0000396300000000 ] - [ 0.0003062700000000, -0.0004167400000000, 0.0003342000000000 ] - [ -0.0000538300000000, 0.0000032200000000, 0.0002412400000000 ] - [ -0.0003668700000000, -0.0001677700000000, 0.0001046600000000 ] - [ 0.0006091100000000, -0.0001302200000000, -0.0000475100000000 ] - [ -0.0007171100000000, 0.0005889100000000, 0.0000446900000000 ] - [ -0.0013392300000000, -0.0004923700000000, 0.0003550300000000 ] - [ -0.0001752700000000, 0.0002728200000000, 0.0001551600000000 ] - [ 0.0004283200000000, -0.0000250700000000, 0.0001482100000000 ] - [ -0.0003153100000000, -0.0006303000000000, 0.0000399800000000 ] - [ 0.0001944700000000, -0.0002750800000000, -0.0000424500000000 ] - [ -0.0003842100000000, 0.0002496100000000, 0.0001633500000000 ] - [ 0.0006135900000000, 0.0000274500000000, -0.0002299500000000 ] - [ 0.0001237700000000, 0.0003320800000000, 0.0002363200000000 ] - [ -0.0005747500000000, 0.0000021300000000, 0.0002611300000000 ] - [ 0.0008977900000000, 0.0001047700000000, 0.0004421000000000 ] - [ 0.0004860500000000, -0.0000679700000000, -0.0000523400000000 ] - [ -0.0004811600000000, -0.0000274500000000, -0.0001811100000000 ] - [ -0.0005889700000000, 0.0001013300000000, 0.0002170900000000 ] - [ -0.0002282700000000, 0.0003120700000000, -0.0001452400000000 ] - [ 0.0005966800000000, 0.0000273800000000, 0.0002791200000000 ] - [ -0.0001507400000000, -0.0003064600000000, -0.0000278200000000 ] - [ 0.0004500100000000, -0.0001021700000000, 0.0000590500000000 ] - [ -0.0005033600000000, 0.0000286200000000, -0.0002798800000000 ] - [ 0.0008642600000000, 0.0001241400000000, 0.0001117300000000 ] - [ 0.0000687400000000, 0.0003248400000000, 0.0003278300000000 ] - [ -0.0006560700000000, -0.0000313400000000, 0.0000976400000000 ] - [ 0.0002186200000000, 0.0000198400000000, 0.0002421000000000 ]- atom: 9 displacement: [ 0.0020666810454366, 0.0000000000000000, -0.0097841110713459 ] forces: - [ -0.0000459900000000, -0.0000980300000000, 0.0000114700000000 ] - [ -0.0001312000000000, 0.0000935200000000, -0.0000277400000000 ] - [ -0.0002990900000000, 0.0003866900000000, -0.0005221000000000 ] - [ -0.0000099400000000, 0.0000665700000000, 0.0000659600000000 ] - [ -0.0001075800000000, 0.0000171500000000, -0.0003116400000000 ] - [ 0.0002234900000000, -0.0000588800000000, 0.0004636900000000 ] - [ 0.0006288700000000, 0.0004862400000000, 0.0007786300000000 ] - [ -0.0007638600000000, -0.0002608400000000, 0.0005439800000000 ] - [ 0.0204711800000000, 0.0232684800000000, 0.0606802800000000 ] - [ -0.0001951500000000, -0.0003898600000000, -0.0000195900000000 ] - [ -0.0000459800000000, 0.0002998300000000, -0.0006949600000000 ] - [ 0.0000564500000000, -0.0000625300000000, 0.0004670900000000 ] - [ -0.0000513300000000, 0.0001775800000000, 0.0007046400000000 ] - [ 0.0003485900000000, -0.0030370400000000, -0.0013468000000000 ] - [ -0.0000646900000000, 0.0005067600000000, 0.0000458800000000 ] - [ -0.0001162900000000, 0.0002381800000000, 0.0002431000000000 ] - [ -0.0000796100000000, -0.0002185000000000, 0.0000335300000000 ] - [ -0.0001649000000000, 0.0004321800000000, -0.0002950700000000 ] - [ -0.0252470200000000, -0.0134357100000000, -0.0265072400000000 ] - [ -0.0000626500000000, -0.0002811400000000, 0.0006419500000000 ] - [ 0.0000335500000000, 0.0001426100000000, -0.0001062600000000 ] - [ 0.0003511200000000, 0.0002410100000000, -0.0004613900000000 ] - [ 0.0001062400000000, 0.0003217300000000, 0.0000775900000000 ] - [ 0.0001975100000000, -0.0002742300000000, -0.0002829900000000 ] - [ -0.0002043400000000, 0.0004423800000000, 0.0003406000000000 ] - [ 0.0001736000000000, 0.0000450700000000, -0.0001217500000000 ] - [ -0.0003651500000000, -0.0003371700000000, -0.0002317200000000 ] - [ 0.0003386500000000, -0.0005044800000000, 0.0002271900000000 ] - [ -0.0002088800000000, 0.0003976700000000, -0.0002957400000000 ] - [ 0.0003548900000000, 0.0004862900000000, 0.0004155800000000 ] - [ 0.0153162400000000, -0.0103101000000000, -0.0158996200000000 ] - [ -0.0085194000000000, 0.0004279200000000, 0.0033557000000000 ] - [ 0.0000682900000000, -0.0000342500000000, -0.0000647300000000 ] - [ 0.0003675100000000, 0.0001257800000000, -0.0000563600000000 ] - [ 0.0000393300000000, 0.0042878300000000, -0.0003557900000000 ] - [ -0.0002144900000000, 0.0001120400000000, 0.0001894300000000 ] - [ 0.0002266500000000, -0.0004006200000000, -0.0001615900000000 ] - [ -0.0014440100000000, -0.0015550300000000, -0.0210884300000000 ] - [ -0.0011580000000000, -0.0011688100000000, 0.0019873700000000 ] - [ -0.0003226000000000, -0.0001592800000000, -0.0000037100000000 ] - [ -0.0003689000000000, 0.0001449300000000, 0.0000812300000000 ] - [ -0.0001487000000000, -0.0003285300000000, -0.0000070000000000 ] - [ -0.0000183600000000, 0.0003258000000000, -0.0007336800000000 ] - [ -0.0000481900000000, 0.0000136800000000, 0.0002533400000000 ] - [ -0.0000257500000000, 0.0003041100000000, 0.0007689200000000 ] - [ 0.0000468900000000, -0.0001624400000000, -0.0001644100000000 ] - [ 0.0001164000000000, 0.0003998100000000, 0.0002505300000000 ] - [ -0.0000356600000000, 0.0001798700000000, 0.0001710100000000 ] - [ 0.0000242900000000, -0.0003797400000000, 0.0001337800000000 ] - [ -0.0001156300000000, 0.0003891600000000, -0.0002097000000000 ] - [ 0.0000171300000000, -0.0003314200000000, -0.0007180600000000 ] - [ 0.0000964200000000, -0.0003657600000000, 0.0006836000000000 ] - [ 0.0000192800000000, 0.0001894800000000, -0.0001350300000000 ] - [ 0.0003531900000000, -0.0001375200000000, -0.0001050000000000 ] - [ 0.0001823800000000, 0.0003129100000000, 0.0000710000000000 ] - [ 0.0001802900000000, 0.0001458200000000, -0.0002189900000000 ] - [ -0.0002052400000000, 0.0003248300000000, -0.0000227600000000 ] - [ 0.0000763600000000, 0.0000023200000000, -0.0002568500000000 ] - [ -0.0005212300000000, -0.0005609800000000, -0.0004576600000000 ] - [ 0.0000971900000000, -0.0002011700000000, 0.0000826300000000 ] - [ -0.0002966700000000, 0.0004177100000000, -0.0003424100000000 ] - [ 0.0003290700000000, 0.0004008000000000, 0.0003616000000000 ] - [ 0.0001914900000000, -0.0003050500000000, 0.0000601600000000 ] - [ 0.0000142300000000, 0.0000506500000000, -0.0000285700000000 ] - [ 0.0000365900000000, -0.0000589100000000, -0.0000793000000000 ] - [ 0.0002953500000000, 0.0002482700000000, -0.0001222500000000 ] - [ -0.0001187300000000, -0.0003862900000000, -0.0002401400000000 ] - [ -0.0000365000000000, 0.0000395200000000, 0.0000011700000000 ] - [ -0.0000436800000000, -0.0000690000000000, 0.0000443400000000 ] - [ 0.0002808800000000, -0.0004229000000000, 0.0003495700000000 ] - [ -0.0000828800000000, -0.0000014600000000, 0.0002238300000000 ] - [ -0.0003340100000000, -0.0001365300000000, 0.0000626700000000 ] - [ 0.0006534000000000, 0.0000906300000000, -0.0002697200000000 ] - [ -0.0001772400000000, -0.0006663100000000, -0.0004939700000000 ] - [ 0.0000689100000000, 0.0005251800000000, -0.0000307300000000 ] - [ -0.0002130300000000, 0.0003099200000000, -0.0002367100000000 ] - [ 0.0004712600000000, -0.0000373000000000, 0.0002955800000000 ] - [ -0.0000673000000000, 0.0000390800000000, -0.0001229900000000 ] - [ 0.0001952400000000, -0.0003076700000000, 0.0001237600000000 ] - [ -0.0005146700000000, -0.0001863100000000, -0.0006075000000000 ] - [ 0.0006513500000000, 0.0000117500000000, -0.0000893500000000 ] - [ 0.0002633700000000, 0.0002515700000000, -0.0001562700000000 ] - [ -0.0006889600000000, -0.0000431400000000, 0.0000567100000000 ] - [ -0.0000067100000000, -0.0000402800000000, 0.0000066200000000 ] - [ 0.0007820900000000, 0.0000273800000000, -0.0002670300000000 ] - [ -0.0004179400000000, -0.0000373200000000, -0.0002633600000000 ] - [ -0.0006777000000000, -0.0000626800000000, 0.0001019600000000 ] - [ -0.0001596000000000, 0.0002715800000000, 0.0000619300000000 ] - [ 0.0003018900000000, -0.0000902600000000, 0.0001658400000000 ] - [ -0.0002399300000000, -0.0002766000000000, -0.0000506300000000 ] - [ -0.0000607200000000, -0.0004814000000000, 0.0000205300000000 ] - [ -0.0003955400000000, 0.0000346600000000, -0.0001665900000000 ] - [ 0.0004015100000000, -0.0000836600000000, -0.0004300700000000 ] - [ 0.0003207100000000, 0.0002566600000000, -0.0002468700000000 ] - [ -0.0006082400000000, -0.0000074900000000, 0.0002196100000000 ] - [ 0.0006805600000000, 0.0000430000000000, 0.0002032200000000 ]- atom: 10 displacement: [ 0.0099986890339478, 0.0000000000000000, -0.0001619185054627 ] forces: - [ -0.0006241500000000, -0.0007155500000000, -0.0002881500000000 ] - [ 0.0000017900000000, 0.0000720300000000, -0.0000640800000000 ] - [ -0.0000241400000000, -0.0000225900000000, 0.0000241600000000 ] - [ 0.0000373700000000, 0.0000457700000000, 0.0000257700000000 ] - [ 0.0015261600000000, 0.0031107500000000, -0.0002832300000000 ] - [ -0.0004885200000000, -0.0000584900000000, -0.0006865200000000 ] - [ 0.0002132900000000, 0.0000926600000000, -0.0001746900000000 ] - [ -0.0000832200000000, -0.0000281700000000, 0.0001770800000000 ] - [ -0.0004514600000000, 0.0002139800000000, 0.0000811900000000 ] - [ -0.0950340500000000, -0.0021029700000000, 0.0451255000000000 ] - [ -0.0001175500000000, 0.0003439300000000, -0.0007627700000000 ] - [ -0.0000458500000000, 0.0000516900000000, 0.0002265900000000 ] - [ 0.0000816400000000, 0.0002743800000000, 0.0007479800000000 ] - [ 0.0002803400000000, 0.0000862600000000, -0.0003474000000000 ] - [ 0.0001931900000000, 0.0005079000000000, 0.0002305100000000 ] - [ 0.0001336800000000, -0.0000232100000000, -0.0000025100000000 ] - [ -0.0123568200000000, 0.0019892500000000, -0.0078377500000000 ] - [ -0.0003660000000000, 0.0001111300000000, 0.0001202700000000 ] - [ 0.0003696900000000, -0.0002334700000000, -0.0004980300000000 ] - [ -0.0100103700000000, -0.0068450200000000, -0.0031876700000000 ] - [ 0.0001266400000000, 0.0001017000000000, -0.0001610500000000 ] - [ 0.0003462000000000, -0.0002146100000000, -0.0000097700000000 ] - [ 0.0008093800000000, -0.0002908500000000, 0.0004528200000000 ] - [ 0.0002634700000000, 0.0003390000000000, 0.0006823200000000 ] - [ -0.0001172900000000, 0.0003355800000000, -0.0001301100000000 ] - [ -0.0001466200000000, -0.0001240500000000, -0.0000165200000000 ] - [ 0.0011125200000000, -0.0002105700000000, 0.0001474600000000 ] - [ 0.0009787700000000, -0.0003865200000000, 0.0011914900000000 ] - [ -0.0004904800000000, 0.0006062300000000, -0.0002624100000000 ] - [ 0.0002884000000000, 0.0004666200000000, 0.0004399300000000 ] - [ 0.0001083900000000, -0.0004076500000000, -0.0000196300000000 ] - [ 0.0000892700000000, 0.0001172900000000, -0.0002036200000000 ] - [ 0.0010689200000000, 0.0003177800000000, 0.0006990500000000 ] - [ 0.0449721400000000, 0.0468888300000000, -0.0065176700000000 ] - [ -0.0000509800000000, -0.0003819300000000, -0.0000625700000000 ] - [ 0.0657759100000000, -0.0411043600000000, -0.0299278800000000 ] - [ -0.0000625800000000, -0.0000111700000000, 0.0000439100000000 ] - [ 0.0006839900000000, -0.0004969300000000, -0.0003305100000000 ] - [ -0.0001011400000000, -0.0000251500000000, 0.0003181500000000 ] - [ 0.0000200700000000, 0.0000084800000000, 0.0001949700000000 ] - [ -0.0003499200000000, 0.0002224900000000, 0.0000541500000000 ] - [ -0.0001655900000000, -0.0003191500000000, -0.0000445800000000 ] - [ 0.0000878000000000, 0.0002892700000000, -0.0008086400000000 ] - [ -0.0000929000000000, 0.0000098500000000, 0.0002462200000000 ] - [ -0.0000050200000000, 0.0003148600000000, 0.0007260100000000 ] - [ 0.0006069400000000, -0.0005662200000000, 0.0003127600000000 ] - [ 0.0001281200000000, 0.0003947200000000, 0.0001987500000000 ] - [ -0.0000282900000000, 0.0001829700000000, 0.0001396200000000 ] - [ 0.0001186800000000, -0.0004078500000000, 0.0002221800000000 ] - [ -0.0001177500000000, 0.0003972100000000, -0.0002564800000000 ] - [ -0.0001346800000000, -0.0003036500000000, -0.0007815200000000 ] - [ 0.0000022300000000, -0.0003067900000000, 0.0007179300000000 ] - [ 0.0000431000000000, 0.0001856000000000, -0.0001809700000000 ] - [ 0.0003475500000000, -0.0001551500000000, -0.0000881900000000 ] - [ 0.0002096600000000, 0.0003184400000000, 0.0000615800000000 ] - [ 0.0000689200000000, 0.0000154300000000, -0.0002256200000000 ] - [ -0.0001770600000000, 0.0003305600000000, -0.0000190200000000 ] - [ 0.0000686400000000, 0.0000058000000000, -0.0002307500000000 ] - [ -0.0002761500000000, -0.0004304600000000, -0.0003263100000000 ] - [ -0.0000583300000000, -0.0001751000000000, 0.0001415700000000 ] - [ -0.0002963100000000, 0.0004233700000000, -0.0003507900000000 ] - [ 0.0002674300000000, 0.0004192800000000, 0.0003278600000000 ] - [ 0.0002617400000000, -0.0002987800000000, 0.0000728700000000 ] - [ -0.0000191400000000, -0.0000213000000000, 0.0000080800000000 ] - [ 0.0000344300000000, -0.0000613400000000, -0.0000462200000000 ] - [ 0.0003736100000000, 0.0001680000000000, -0.0000920600000000 ] - [ -0.0004248000000000, -0.0004529300000000, -0.0001409300000000 ] - [ -0.0000405800000000, 0.0000574800000000, 0.0000401000000000 ] - [ -0.0000536800000000, -0.0000630500000000, 0.0000219800000000 ] - [ 0.0005939500000000, -0.0006607100000000, 0.0003266800000000 ] - [ 0.0000835500000000, -0.0000784800000000, 0.0000961600000000 ] - [ -0.0003608800000000, -0.0001425400000000, 0.0001093800000000 ] - [ 0.0007289700000000, 0.0000775800000000, 0.0000520500000000 ] - [ -0.0004497500000000, -0.0000287000000000, -0.0002580800000000 ] - [ -0.0005969900000000, 0.0000477600000000, 0.0000933300000000 ] - [ -0.0002473300000000, 0.0002750700000000, -0.0000189500000000 ] - [ 0.0008519000000000, -0.0002225400000000, 0.0003385500000000 ] - [ -0.0001667600000000, -0.0002935000000000, -0.0000994300000000 ] - [ 0.0004040700000000, -0.0003991600000000, -0.0003860300000000 ] - [ -0.0006907100000000, -0.0000841800000000, -0.0002430800000000 ] - [ 0.0008954000000000, -0.0001785800000000, -0.0003096900000000 ] - [ 0.0001906100000000, 0.0003406500000000, 0.0002598500000000 ] - [ -0.0006364700000000, -0.0000951000000000, 0.0002009800000000 ] - [ 0.0005213200000000, 0.0000964000000000, 0.0004845800000000 ] - [ 0.0006437400000000, -0.0000182000000000, -0.0001858600000000 ] - [ -0.0003281300000000, -0.0000493700000000, -0.0001419300000000 ] - [ -0.0005230000000000, -0.0000898600000000, 0.0003141400000000 ] - [ -0.0002880600000000, 0.0000648600000000, 0.0001983800000000 ] - [ 0.0004402700000000, -0.0000368900000000, 0.0002484300000000 ] - [ -0.0000946500000000, -0.0003645800000000, -0.0001092100000000 ] - [ 0.0001691000000000, -0.0003248100000000, 0.0001337600000000 ] - [ -0.0006729400000000, -0.0001712000000000, -0.0003031700000000 ] - [ 0.0005953700000000, 0.0000767600000000, -0.0001093500000000 ] - [ 0.0001987800000000, 0.0002832500000000, -0.0000242300000000 ] - [ -0.0010342000000000, -0.0006246200000000, 0.0002768900000000 ] - [ 0.0004842000000000, 0.0000291500000000, 0.0002016800000000 ]- atom: 10 displacement: [ -0.0099986890339478, 0.0000000000000000, 0.0001619185054627 ] forces: - [ 0.0006345000000000, 0.0005514500000000, 0.0002998500000000 ] - [ 0.0000003100000000, 0.0000958800000000, 0.0000622400000000 ] - [ 0.0000232700000000, -0.0001472100000000, -0.0000238100000000 ] - [ -0.0000357400000000, 0.0001228500000000, -0.0000260300000000 ] - [ -0.0015043100000000, -0.0031409300000000, 0.0003275300000000 ] - [ 0.0004816100000000, 0.0000577200000000, 0.0006802000000000 ] - [ -0.0002071800000000, -0.0000900000000000, 0.0001707700000000 ] - [ 0.0000832600000000, 0.0000297900000000, -0.0001720100000000 ] - [ -0.0002532400000000, 0.0000906100000000, 0.0000851200000000 ] - [ 0.0939724700000000, 0.0022434700000000, -0.0439279000000000 ] - [ 0.0001247200000000, 0.0002926900000000, -0.0006788100000000 ] - [ -0.0000919300000000, -0.0000501100000000, 0.0002376900000000 ] - [ -0.0000877600000000, 0.0003596200000000, 0.0006927400000000 ] - [ -0.0001892000000000, -0.0004492300000000, 0.0000480900000000 ] - [ 0.0000482800000000, 0.0002773800000000, 0.0002015400000000 ] - [ -0.0002290900000000, 0.0003931800000000, 0.0003076200000000 ] - [ 0.0125092400000000, -0.0028016500000000, 0.0082893200000000 ] - [ 0.0001098400000000, 0.0006730000000000, -0.0005618800000000 ] - [ -0.0003632600000000, -0.0003993300000000, -0.0009445900000000 ] - [ 0.0099562700000000, 0.0061765000000000, 0.0046378400000000 ] - [ -0.0000373600000000, 0.0002617000000000, -0.0001397800000000 ] - [ 0.0003587600000000, -0.0000897100000000, -0.0001565700000000 ] - [ -0.0004322900000000, 0.0009125000000000, -0.0003421400000000 ] - [ -0.0001088200000000, -0.0003088800000000, -0.0011046900000000 ] - [ -0.0002375300000000, 0.0003057000000000, 0.0000381000000000 ] - [ 0.0002814300000000, 0.0001192700000000, -0.0004508500000000 ] - [ -0.0016621500000000, -0.0006381200000000, -0.0007912200000000 ] - [ -0.0010969900000000, 0.0000047000000000, -0.0008999700000000 ] - [ -0.0000927000000000, 0.0002322900000000, -0.0004301700000000 ] - [ 0.0002947200000000, 0.0003722800000000, 0.0002464700000000 ] - [ 0.0002464500000000, -0.0002346000000000, 0.0001099900000000 ] - [ -0.0000152000000000, -0.0000018200000000, 0.0001193800000000 ] - [ -0.0009715300000000, -0.0004356700000000, -0.0007581700000000 ] - [ -0.0442744900000000, -0.0458704500000000, 0.0061214300000000 ] - [ -0.0001849600000000, -0.0004039200000000, -0.0003682800000000 ] - [ -0.0649874100000000, 0.0398326100000000, 0.0288003500000000 ] - [ -0.0000120400000000, -0.0001028900000000, 0.0000392500000000 ] - [ -0.0001063600000000, -0.0003405400000000, 0.0010215800000000 ] - [ -0.0000534200000000, 0.0000202500000000, 0.0001509800000000 ] - [ -0.0007257100000000, -0.0003109100000000, -0.0000331500000000 ] - [ -0.0003561000000000, 0.0000817800000000, 0.0001123100000000 ] - [ -0.0001900400000000, -0.0003220000000000, -0.0000470500000000 ] - [ -0.0000815500000000, 0.0003447600000000, -0.0006336600000000 ] - [ -0.0000449900000000, -0.0000101600000000, 0.0002196900000000 ] - [ -0.0000016500000000, 0.0003195300000000, 0.0007165100000000 ] - [ -0.0005412300000000, 0.0002146300000000, -0.0006237600000000 ] - [ 0.0001109800000000, 0.0003892700000000, 0.0002331100000000 ] - [ -0.0000583400000000, 0.0001807500000000, 0.0001580500000000 ] - [ 0.0001212700000000, -0.0003758500000000, 0.0002098700000000 ] - [ -0.0001214400000000, 0.0003870900000000, -0.0001758600000000 ] - [ 0.0001433200000000, -0.0003339800000000, -0.0006587400000000 ] - [ -0.0000082800000000, -0.0003273600000000, 0.0007244100000000 ] - [ 0.0000442100000000, 0.0001802600000000, -0.0001171900000000 ] - [ 0.0003580900000000, -0.0001490200000000, -0.0000793100000000 ] - [ 0.0001461100000000, 0.0003226100000000, 0.0000290500000000 ] - [ 0.0000689600000000, -0.0000152500000000, -0.0002394600000000 ] - [ -0.0001787300000000, 0.0003106400000000, -0.0000726500000000 ] - [ 0.0000686300000000, -0.0000054200000000, -0.0002347500000000 ] - [ -0.0003080600000000, -0.0004072500000000, -0.0003583500000000 ] - [ -0.0000291400000000, -0.0001900600000000, 0.0001566400000000 ] - [ -0.0002880700000000, 0.0004147600000000, -0.0003347400000000 ] - [ 0.0003167600000000, 0.0004180900000000, 0.0003573500000000 ] - [ 0.0000923000000000, -0.0003414600000000, 0.0000176300000000 ] - [ 0.0000936900000000, 0.0001360300000000, -0.0000912400000000 ] - [ 0.0000394800000000, -0.0000532800000000, -0.0000368600000000 ] - [ 0.0003310500000000, 0.0001366600000000, -0.0000745400000000 ] - [ 0.0001893300000000, -0.0003309500000000, -0.0002952900000000 ] - [ -0.0000330200000000, 0.0000568800000000, 0.0000429600000000 ] - [ -0.0000201800000000, -0.0000513100000000, 0.0000616200000000 ] - [ -0.0000204900000000, -0.0001701600000000, 0.0003593600000000 ] - [ -0.0002251500000000, 0.0000814000000000, 0.0003741800000000 ] - [ -0.0003440400000000, -0.0001624600000000, 0.0000569700000000 ] - [ 0.0005373000000000, -0.0001107400000000, -0.0003690400000000 ] - [ -0.0004527700000000, -0.0000350900000000, -0.0001872400000000 ] - [ -0.0006674000000000, -0.0000110300000000, 0.0002243100000000 ] - [ -0.0001484300000000, 0.0003027900000000, -0.0000420000000000 ] - [ 0.0000158200000000, 0.0001253700000000, 0.0001075400000000 ] - [ -0.0002278000000000, -0.0002869700000000, 0.0000359600000000 ] - [ -0.0000033100000000, -0.0001770500000000, 0.0004367300000000 ] - [ -0.0002162500000000, 0.0001439000000000, -0.0002004800000000 ] - [ 0.0003680200000000, 0.0002088000000000, -0.0000160600000000 ] - [ 0.0002036700000000, 0.0002396700000000, -0.0001965000000000 ] - [ -0.0006290700000000, 0.0000604600000000, 0.0001197000000000 ] - [ 0.0003819700000000, -0.0000324600000000, -0.0000379600000000 ] - [ 0.0006207600000000, -0.0000170700000000, -0.0001341400000000 ] - [ -0.0005751000000000, -0.0000131800000000, -0.0003025600000000 ] - [ -0.0007407600000000, 0.0001214600000000, 0.0000068700000000 ] - [ -0.0001101000000000, 0.0005146200000000, -0.0002621300000000 ] - [ 0.0004620100000000, -0.0000247300000000, 0.0001970900000000 ] - [ -0.0002992100000000, -0.0002167800000000, 0.0000441600000000 ] - [ 0.0002237000000000, -0.0002553000000000, -0.0000683700000000 ] - [ -0.0002255300000000, 0.0002348600000000, -0.0001422300000000 ] - [ 0.0006685200000000, -0.0000442200000000, -0.0002094000000000 ] - [ 0.0001943900000000, 0.0002953200000000, 0.0000823800000000 ] - [ -0.0002354200000000, 0.0006048500000000, 0.0000376100000000 ] - [ 0.0004168400000000, 0.0000338400000000, 0.0002414300000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001229900000000, 0.0000918700000000, -0.0005196200000000 ] - [ -0.0000668100000000, 0.0001028900000000, -0.0000131900000000 ] - [ 0.0000111300000000, -0.0000597600000000, 0.0000045800000000 ] - [ 0.0000404800000000, 0.0000911600000000, 0.0000061100000000 ] - [ 0.0034288300000000, 0.0027198000000000, -0.0004632300000000 ] - [ -0.0000751200000000, 0.0001695200000000, 0.0000907100000000 ] - [ 0.0005040300000000, -0.0000051000000000, 0.0000044000000000 ] - [ 0.0000233500000000, -0.0000490000000000, 0.0001560400000000 ] - [ -0.0005001500000000, 0.0000184800000000, 0.0001273200000000 ] - [ -0.0040428600000000, -0.1303883900000000, -0.0038394000000000 ] - [ 0.0000364000000000, 0.0003629800000000, -0.0007871500000000 ] - [ 0.0000215900000000, -0.0000212900000000, 0.0003449600000000 ] - [ -0.0000078700000000, 0.0004232900000000, 0.0006522300000000 ] - [ -0.0000856800000000, 0.0000770700000000, -0.0002220100000000 ] - [ 0.0001417400000000, 0.0006164400000000, 0.0002139400000000 ] - [ -0.0001462800000000, 0.0001521600000000, 0.0002285600000000 ] - [ 0.0060276400000000, 0.0062807000000000, 0.0203687900000000 ] - [ -0.0003472900000000, 0.0001539400000000, -0.0002366600000000 ] - [ 0.0005036300000000, -0.0003945500000000, -0.0006228900000000 ] - [ -0.0113106000000000, 0.0168031600000000, -0.0205543700000000 ] - [ 0.0000229700000000, 0.0002136600000000, -0.0001127400000000 ] - [ 0.0003498000000000, -0.0001095200000000, -0.0000874900000000 ] - [ -0.0004224900000000, 0.0007040400000000, -0.0002810400000000 ] - [ 0.0025121900000000, -0.0009201200000000, -0.0030962700000000 ] - [ -0.0001943700000000, 0.0002359800000000, -0.0000675200000000 ] - [ 0.0000111100000000, -0.0001036600000000, 0.0001761100000000 ] - [ -0.0020944200000000, -0.0007730000000000, 0.0015085000000000 ] - [ -0.0002330100000000, 0.0000120500000000, 0.0013155300000000 ] - [ -0.0002534300000000, 0.0002681800000000, -0.0004827100000000 ] - [ 0.0002613900000000, 0.0004379200000000, 0.0003045300000000 ] - [ 0.0002648900000000, -0.0001972300000000, 0.0000436500000000 ] - [ -0.0000013600000000, -0.0000083500000000, -0.0000102200000000 ] - [ 0.0005567600000000, 0.0001793800000000, 0.0006057500000000 ] - [ 0.0420723500000000, 0.0710445300000000, -0.0021347500000000 ] - [ -0.0001731200000000, -0.0004491500000000, -0.0002338800000000 ] - [ -0.0343776000000000, 0.0332482200000000, 0.0077206400000000 ] - [ -0.0000244300000000, -0.0000417800000000, -0.0000526100000000 ] - [ -0.0001609900000000, -0.0006148700000000, 0.0001613900000000 ] - [ 0.0004980100000000, 0.0003430400000000, -0.0002364200000000 ] - [ -0.0003910000000000, 0.0000287900000000, 0.0001973300000000 ] - [ -0.0002978200000000, 0.0001554100000000, 0.0001044500000000 ] - [ -0.0001767900000000, -0.0002996700000000, -0.0000592500000000 ] - [ 0.0000437400000000, 0.0003014000000000, -0.0007701000000000 ] - [ -0.0000532600000000, 0.0000078500000000, 0.0002452800000000 ] - [ 0.0000019400000000, 0.0003228100000000, 0.0007314000000000 ] - [ -0.0002679100000000, -0.0003631200000000, -0.0002697900000000 ] - [ 0.0001182300000000, 0.0003883400000000, 0.0002280600000000 ] - [ -0.0000385200000000, 0.0001861500000000, 0.0001534600000000 ] - [ 0.0001174100000000, -0.0003921700000000, 0.0002186800000000 ] - [ -0.0001296600000000, 0.0004027000000000, -0.0002310600000000 ] - [ 0.0000092700000000, -0.0003095800000000, -0.0007925800000000 ] - [ -0.0000231900000000, -0.0003511500000000, 0.0007070400000000 ] - [ 0.0000321300000000, 0.0001741700000000, -0.0001413300000000 ] - [ 0.0003508300000000, -0.0001450200000000, -0.0000767400000000 ] - [ 0.0001756800000000, 0.0003213700000000, 0.0000380300000000 ] - [ 0.0000837900000000, -0.0000068500000000, -0.0002328900000000 ] - [ -0.0001884400000000, 0.0003167000000000, -0.0000648400000000 ] - [ 0.0000687800000000, 0.0000077600000000, -0.0002490600000000 ] - [ -0.0002881200000000, -0.0004242600000000, -0.0003501700000000 ] - [ -0.0000561700000000, -0.0001526600000000, 0.0001622400000000 ] - [ -0.0002993100000000, 0.0004085800000000, -0.0003454200000000 ] - [ 0.0002967600000000, 0.0004226800000000, 0.0003482200000000 ] - [ 0.0001570700000000, -0.0003090300000000, -0.0000054300000000 ] - [ 0.0000664000000000, 0.0000654800000000, 0.0000099500000000 ] - [ 0.0000534900000000, -0.0000547800000000, -0.0000409600000000 ] - [ 0.0003748200000000, 0.0001460600000000, -0.0000636300000000 ] - [ -0.0000553000000000, -0.0004171300000000, -0.0000158000000000 ] - [ -0.0000287800000000, 0.0000460500000000, 0.0000394700000000 ] - [ -0.0000279200000000, -0.0000569800000000, 0.0000659700000000 ] - [ 0.0003916500000000, -0.0003599900000000, 0.0005198900000000 ] - [ -0.0002131500000000, 0.0000070500000000, 0.0002036100000000 ] - [ -0.0003411800000000, -0.0001470300000000, 0.0000900600000000 ] - [ 0.0006207000000000, -0.0000303400000000, -0.0002247700000000 ] - [ -0.0004624300000000, -0.0000282900000000, -0.0002600000000000 ] - [ -0.0006092700000000, 0.0000541800000000, 0.0000990300000000 ] - [ -0.0002605400000000, 0.0002960900000000, -0.0000922400000000 ] - [ -0.0005822900000000, 0.0006574900000000, -0.0002130800000000 ] - [ -0.0001992900000000, -0.0002806900000000, -0.0000537400000000 ] - [ -0.0002480400000000, 0.0003575500000000, 0.0003055500000000 ] - [ -0.0007680100000000, 0.0001332900000000, -0.0002647300000000 ] - [ 0.0011845600000000, -0.0014563400000000, -0.0003059100000000 ] - [ 0.0002306100000000, 0.0002757800000000, -0.0000085800000000 ] - [ -0.0007078800000000, -0.0000446300000000, 0.0001553400000000 ] - [ 0.0004768400000000, -0.0000822100000000, 0.0002364900000000 ] - [ 0.0006229800000000, -0.0000163200000000, -0.0001870300000000 ] - [ -0.0004561200000000, -0.0000375900000000, -0.0002498500000000 ] - [ -0.0006140700000000, 0.0000157500000000, 0.0001393100000000 ] - [ -0.0004832000000000, -0.0000218700000000, 0.0002100700000000 ] - [ 0.0003786600000000, -0.0000406600000000, 0.0002193300000000 ] - [ -0.0001318100000000, -0.0004095400000000, -0.0000980200000000 ] - [ 0.0001067400000000, -0.0003109300000000, 0.0001115400000000 ] - [ -0.0005750700000000, -0.0002039500000000, -0.0001561000000000 ] - [ 0.0005435000000000, 0.0001024900000000, -0.0001241500000000 ] - [ 0.0001814100000000, 0.0002819300000000, -0.0000330100000000 ] - [ -0.0010358700000000, 0.0002152200000000, 0.0002641400000000 ] - [ 0.0004290100000000, 0.0000389800000000, 0.0001967400000000 ]- atom: 10 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001094600000000, -0.0002739200000000, 0.0004977000000000 ] - [ 0.0000648500000000, 0.0000635200000000, 0.0000149700000000 ] - [ -0.0000151300000000, -0.0001061100000000, -0.0000046900000000 ] - [ -0.0000389500000000, 0.0000740200000000, -0.0000067200000000 ] - [ -0.0034939300000000, -0.0027387000000000, 0.0004378400000000 ] - [ 0.0000848300000000, -0.0001680200000000, -0.0000577100000000 ] - [ -0.0004953800000000, 0.0000075500000000, -0.0000113300000000 ] - [ -0.0000263500000000, 0.0000496700000000, -0.0001463000000000 ] - [ -0.0002053300000000, 0.0002876400000000, 0.0000410900000000 ] - [ 0.0004989800000000, 0.1265625700000000, 0.0062593400000000 ] - [ -0.0000318200000000, 0.0002712600000000, -0.0006491800000000 ] - [ -0.0001600400000000, 0.0000229000000000, 0.0001187000000000 ] - [ 0.0000025400000000, 0.0002121800000000, 0.0007931400000000 ] - [ 0.0001757800000000, -0.0004392600000000, -0.0000785500000000 ] - [ 0.0000965500000000, 0.0001711600000000, 0.0002226600000000 ] - [ 0.0000536700000000, 0.0002110000000000, 0.0000741400000000 ] - [ -0.0058388900000000, -0.0071865800000000, -0.0200518900000000 ] - [ 0.0000939500000000, 0.0006375700000000, -0.0001959000000000 ] - [ -0.0004963400000000, -0.0002424000000000, -0.0008182300000000 ] - [ 0.0112991400000000, -0.0171158100000000, 0.0217749800000000 ] - [ 0.0000664200000000, 0.0001521500000000, -0.0001882100000000 ] - [ 0.0003526500000000, -0.0001937200000000, -0.0000817600000000 ] - [ 0.0007906300000000, -0.0000729000000000, 0.0003807500000000 ] - [ -0.0023539700000000, 0.0009311000000000, 0.0025901300000000 ] - [ -0.0001625500000000, 0.0004016600000000, -0.0000256200000000 ] - [ 0.0001317500000000, 0.0000987900000000, -0.0006387300000000 ] - [ 0.0014751000000000, -0.0000146200000000, -0.0022504000000000 ] - [ 0.0001944200000000, -0.0003757100000000, -0.0009789200000000 ] - [ -0.0003302800000000, 0.0005734700000000, -0.0001972300000000 ] - [ 0.0003229000000000, 0.0004001300000000, 0.0003782000000000 ] - [ 0.0000906500000000, -0.0004415700000000, 0.0000482800000000 ] - [ 0.0000698200000000, 0.0001217800000000, -0.0000709600000000 ] - [ -0.0004716300000000, -0.0003132600000000, -0.0006988500000000 ] - [ -0.0395797300000000, -0.0661826500000000, 0.0011855200000000 ] - [ -0.0000606900000000, -0.0003353400000000, -0.0001980900000000 ] - [ 0.0357694300000000, -0.0346540600000000, -0.0089645500000000 ] - [ -0.0000473600000000, -0.0000733500000000, 0.0001360900000000 ] - [ 0.0007363800000000, -0.0002258500000000, 0.0005244000000000 ] - [ -0.0006494600000000, -0.0003448200000000, 0.0006946400000000 ] - [ -0.0003090400000000, -0.0003292000000000, -0.0000364100000000 ] - [ -0.0004069300000000, 0.0001492800000000, 0.0000642300000000 ] - [ -0.0001779600000000, -0.0003399700000000, -0.0000319400000000 ] - [ -0.0000398600000000, 0.0003342200000000, -0.0006699200000000 ] - [ -0.0000854800000000, -0.0000088500000000, 0.0002203200000000 ] - [ -0.0000073700000000, 0.0003120700000000, 0.0007100800000000 ] - [ 0.0003666800000000, -0.0000075700000000, -0.0000317900000000 ] - [ 0.0001201700000000, 0.0003970000000000, 0.0002044500000000 ] - [ -0.0000497300000000, 0.0001783000000000, 0.0001453000000000 ] - [ 0.0001223200000000, -0.0003922800000000, 0.0002136400000000 ] - [ -0.0001093600000000, 0.0003819600000000, -0.0002006800000000 ] - [ -0.0000020100000000, -0.0003221200000000, -0.0006469500000000 ] - [ 0.0000178400000000, -0.0002837700000000, 0.0007334200000000 ] - [ 0.0000563600000000, 0.0001914300000000, -0.0001575000000000 ] - [ 0.0003528100000000, -0.0001588000000000, -0.0000909300000000 ] - [ 0.0001790200000000, 0.0003174900000000, 0.0000540100000000 ] - [ 0.0000565700000000, 0.0000082500000000, -0.0002311800000000 ] - [ -0.0001666400000000, 0.0003222400000000, -0.0000270100000000 ] - [ 0.0000701600000000, -0.0000087000000000, -0.0002161300000000 ] - [ -0.0002945100000000, -0.0004153800000000, -0.0003321200000000 ] - [ -0.0000331400000000, -0.0002127700000000, 0.0001376800000000 ] - [ -0.0002846000000000, 0.0004309800000000, -0.0003374400000000 ] - [ 0.0002878200000000, 0.0004160100000000, 0.0003355400000000 ] - [ 0.0001999100000000, -0.0003306400000000, 0.0000974000000000 ] - [ 0.0000049600000000, 0.0000488100000000, -0.0000917500000000 ] - [ 0.0000188500000000, -0.0000594000000000, -0.0000432800000000 ] - [ 0.0003288000000000, 0.0001585600000000, -0.0001034400000000 ] - [ -0.0001881400000000, -0.0003692700000000, -0.0004185400000000 ] - [ -0.0000439900000000, 0.0000684700000000, 0.0000432100000000 ] - [ -0.0000445000000000, -0.0000573800000000, 0.0000184200000000 ] - [ 0.0001945200000000, -0.0004795600000000, 0.0001590300000000 ] - [ 0.0000718700000000, -0.0000096300000000, 0.0002595500000000 ] - [ -0.0003614100000000, -0.0001576600000000, 0.0000756700000000 ] - [ 0.0006422500000000, -0.0000064700000000, -0.0001006200000000 ] - [ -0.0004319200000000, -0.0000374000000000, -0.0001849300000000 ] - [ -0.0006536800000000, -0.0000142200000000, 0.0002166000000000 ] - [ -0.0001311900000000, 0.0002858800000000, 0.0000156900000000 ] - [ 0.0014868900000000, -0.0007572400000000, 0.0006958200000000 ] - [ -0.0001887700000000, -0.0003043000000000, -0.0000289300000000 ] - [ 0.0006171500000000, -0.0009586700000000, -0.0002156800000000 ] - [ -0.0001365400000000, -0.0000709900000000, -0.0001777200000000 ] - [ 0.0000888500000000, 0.0014922300000000, -0.0000062000000000 ] - [ 0.0001599800000000, 0.0003062700000000, 0.0000795700000000 ] - [ -0.0005560400000000, 0.0000018000000000, 0.0001647500000000 ] - [ 0.0004147000000000, 0.0001470400000000, 0.0001961000000000 ] - [ 0.0006410800000000, -0.0000242600000000, -0.0001324700000000 ] - [ -0.0004441400000000, -0.0000262800000000, -0.0001970400000000 ] - [ -0.0006529600000000, 0.0000221700000000, 0.0001738500000000 ] - [ 0.0001013000000000, 0.0006080500000000, -0.0002950900000000 ] - [ 0.0005162900000000, -0.0000223500000000, 0.0002246300000000 ] - [ -0.0002645000000000, -0.0001748700000000, 0.0000053700000000 ] - [ 0.0002820600000000, -0.0002734500000000, -0.0000281700000000 ] - [ -0.0003136000000000, 0.0002679000000000, -0.0002831400000000 ] - [ 0.0007190500000000, -0.0000602900000000, -0.0001926500000000 ] - [ 0.0002078900000000, 0.0003007900000000, 0.0001075100000000 ] - [ -0.0002164800000000, -0.0002508800000000, 0.0000549100000000 ] - [ 0.0004652000000000, 0.0000259800000000, 0.0002441600000000 ]- atom: 10 displacement: [ -0.0020666810454366, 0.0000000000000000, 0.0097841110713459 ] forces: - [ -0.0009744100000000, 0.0002120900000000, -0.0012607200000000 ] - [ -0.0000877100000000, 0.0001792200000000, 0.0000924500000000 ] - [ -0.0000830600000000, -0.0000833900000000, 0.0000336600000000 ] - [ -0.0002349100000000, 0.0001276600000000, -0.0000304100000000 ] - [ -0.0021773200000000, -0.0013653100000000, -0.0017214700000000 ] - [ -0.0004139200000000, 0.0000154800000000, -0.0003634400000000 ] - [ -0.0009591900000000, -0.0001257000000000, 0.0001010800000000 ] - [ -0.0000983500000000, -0.0000710300000000, -0.0004777100000000 ] - [ -0.0002749500000000, 0.0001269300000000, 0.0000691600000000 ] - [ 0.0609634400000000, -0.0040249400000000, -0.0763619900000000 ] - [ -0.0001267000000000, 0.0004057700000000, -0.0008073700000000 ] - [ 0.0000466600000000, -0.0000833100000000, 0.0002205800000000 ] - [ -0.0001455700000000, 0.0003585100000000, 0.0006328400000000 ] - [ 0.0000329600000000, -0.0003238300000000, -0.0001452600000000 ] - [ -0.0001008100000000, 0.0001828900000000, 0.0001915400000000 ] - [ -0.0000493600000000, 0.0003211100000000, 0.0000486300000000 ] - [ 0.0002287200000000, 0.0062389900000000, 0.0205211800000000 ] - [ 0.0009118600000000, 0.0002121300000000, 0.0007355500000000 ] - [ -0.0000161800000000, -0.0002923900000000, -0.0006895000000000 ] - [ -0.0016633800000000, -0.0048943800000000, 0.0078304200000000 ] - [ -0.0000914100000000, 0.0000476600000000, -0.0000071700000000 ] - [ 0.0004447000000000, -0.0000660500000000, -0.0001111600000000 ] - [ 0.0004336200000000, 0.0001197000000000, -0.0002176300000000 ] - [ 0.0005241400000000, 0.0035931100000000, 0.0007625900000000 ] - [ -0.0002752000000000, 0.0003373100000000, -0.0001712900000000 ] - [ 0.0004603500000000, 0.0002869700000000, -0.0003739900000000 ] - [ 0.0011214600000000, -0.0062340500000000, -0.0000940400000000 ] - [ -0.0022133200000000, 0.0005737100000000, -0.0028977300000000 ] - [ -0.0000770400000000, 0.0001436500000000, -0.0001314000000000 ] - [ 0.0004406900000000, 0.0004403100000000, 0.0005388400000000 ] - [ 0.0001261500000000, -0.0003001500000000, -0.0001087400000000 ] - [ 0.0000843900000000, 0.0000550400000000, 0.0000512700000000 ] - [ 0.0000964100000000, 0.0005353700000000, 0.0009350100000000 ] - [ -0.0170215900000000, -0.0274700600000000, 0.0155690500000000 ] - [ -0.0001036100000000, -0.0004394200000000, -0.0000694300000000 ] - [ -0.0420455500000000, 0.0310503600000000, 0.0345128900000000 ] - [ 0.0000635900000000, -0.0001463100000000, 0.0001332100000000 ] - [ -0.0001147800000000, -0.0004542600000000, 0.0006830800000000 ] - [ -0.0002092900000000, -0.0000084600000000, 0.0001566600000000 ] - [ -0.0003075600000000, -0.0002742400000000, -0.0003030700000000 ] - [ -0.0003224800000000, 0.0001372500000000, 0.0000556100000000 ] - [ -0.0001784900000000, -0.0003335800000000, 0.0000041800000000 ] - [ -0.0000337800000000, 0.0003680900000000, -0.0006688500000000 ] - [ -0.0000795400000000, 0.0000166700000000, 0.0002436400000000 ] - [ -0.0000204600000000, 0.0002844300000000, 0.0006977700000000 ] - [ 0.0007498400000000, -0.0003098300000000, 0.0000166800000000 ] - [ 0.0001403400000000, 0.0004121900000000, 0.0001921300000000 ] - [ -0.0000629100000000, 0.0001799100000000, 0.0001507300000000 ] - [ 0.0001291100000000, -0.0004062000000000, 0.0002048100000000 ] - [ -0.0001272900000000, 0.0003770600000000, -0.0002299500000000 ] - [ -0.0000478900000000, -0.0003278900000000, -0.0006908800000000 ] - [ -0.0000154800000000, -0.0002864200000000, 0.0007462500000000 ] - [ 0.0000530400000000, 0.0001682600000000, -0.0001799000000000 ] - [ 0.0003510900000000, -0.0001709500000000, -0.0001083900000000 ] - [ 0.0001886200000000, 0.0003123800000000, 0.0000928900000000 ] - [ 0.0000488000000000, 0.0000080500000000, -0.0002262000000000 ] - [ -0.0001509200000000, 0.0003363100000000, 0.0000156200000000 ] - [ 0.0000733400000000, -0.0000252200000000, -0.0001920700000000 ] - [ -0.0003022600000000, -0.0004346700000000, -0.0003384900000000 ] - [ -0.0000373500000000, -0.0001929100000000, 0.0001262700000000 ] - [ -0.0002605400000000, 0.0004548200000000, -0.0003213600000000 ] - [ 0.0002959300000000, 0.0003917500000000, 0.0003610600000000 ] - [ 0.0001875100000000, -0.0002742600000000, 0.0000770500000000 ] - [ 0.0000797100000000, 0.0000357200000000, -0.0000770000000000 ] - [ 0.0000101600000000, -0.0000486800000000, -0.0000626000000000 ] - [ 0.0003428500000000, 0.0001479700000000, -0.0000960800000000 ] - [ -0.0001986700000000, -0.0004782600000000, -0.0001047700000000 ] - [ -0.0000607100000000, 0.0000661000000000, 0.0000147700000000 ] - [ -0.0000522800000000, -0.0000543800000000, -0.0000209600000000 ] - [ 0.0003445500000000, -0.0004359900000000, 0.0002356400000000 ] - [ -0.0000217600000000, -0.0001027900000000, 0.0001604700000000 ] - [ -0.0003589600000000, -0.0001524500000000, 0.0000523400000000 ] - [ 0.0006974600000000, -0.0000550700000000, -0.0001178000000000 ] - [ -0.0004833100000000, -0.0000037500000000, -0.0001228500000000 ] - [ -0.0006062100000000, 0.0000330900000000, 0.0002529800000000 ] - [ -0.0000302500000000, 0.0002999100000000, -0.0000230900000000 ] - [ 0.0015822400000000, 0.0006625900000000, 0.0008013300000000 ] - [ -0.0001896400000000, -0.0002694300000000, 0.0000369200000000 ] - [ -0.0001939200000000, -0.0004509600000000, 0.0005083600000000 ] - [ 0.0000548100000000, 0.0001872300000000, -0.0001391500000000 ] - [ 0.0005938400000000, 0.0003697900000000, 0.0000932000000000 ] - [ 0.0002313400000000, 0.0003083100000000, 0.0000923200000000 ] - [ -0.0004969200000000, 0.0000423500000000, 0.0001275400000000 ] - [ 0.0005294000000000, -0.0000131700000000, 0.0004251200000000 ] - [ 0.0006642200000000, -0.0000242500000000, -0.0000737100000000 ] - [ -0.0003629000000000, -0.0000361900000000, -0.0001850200000000 ] - [ -0.0005747500000000, 0.0000788300000000, 0.0001992300000000 ] - [ 0.0001067100000000, 0.0004684500000000, -0.0002311200000000 ] - [ 0.0006182400000000, -0.0000017100000000, 0.0002216800000000 ] - [ -0.0001177000000000, -0.0003627700000000, -0.0000741400000000 ] - [ 0.0003404600000000, -0.0002372600000000, -0.0001179900000000 ] - [ -0.0003549800000000, 0.0001112600000000, -0.0001079900000000 ] - [ 0.0007983000000000, -0.0000599500000000, -0.0002101800000000 ] - [ 0.0002674500000000, 0.0003528200000000, 0.0003022300000000 ] - [ -0.0003989100000000, 0.0000076000000000, 0.0004271600000000 ] - [ 0.0005479900000000, 0.0000230700000000, 0.0003083900000000 ]- atom: 10 displacement: [ 0.0020666810454366, 0.0000000000000000, -0.0097841110713459 ] forces: - [ 0.0009836500000000, -0.0003746100000000, 0.0012644800000000 ] - [ 0.0000881400000000, -0.0000113400000000, -0.0000923100000000 ] - [ 0.0000833300000000, -0.0000831000000000, -0.0000334300000000 ] - [ 0.0002320800000000, 0.0000403700000000, 0.0000313000000000 ] - [ 0.0021671400000000, 0.0013841300000000, 0.0016884500000000 ] - [ 0.0004142100000000, -0.0000164000000000, 0.0003630700000000 ] - [ 0.0009562700000000, 0.0001269300000000, -0.0000980300000000 ] - [ 0.0000996500000000, 0.0000707600000000, 0.0004701400000000 ] - [ -0.0004245500000000, 0.0001768800000000, 0.0000992500000000 ] - [ -0.0627639400000000, 0.0049426500000000, 0.0768376800000000 ] - [ 0.0001290600000000, 0.0002320500000000, -0.0006346200000000 ] - [ -0.0001836200000000, 0.0000786300000000, 0.0002414400000000 ] - [ 0.0001406900000000, 0.0002785700000000, 0.0008066800000000 ] - [ 0.0000542900000000, -0.0000439500000000, -0.0001540800000000 ] - [ 0.0003354200000000, 0.0005977900000000, 0.0002402700000000 ] - [ -0.0000367300000000, 0.0000440600000000, 0.0002428500000000 ] - [ 0.0001895100000000, -0.0071873800000000, -0.0202541600000000 ] - [ -0.0011212500000000, 0.0005676200000000, -0.0011404200000000 ] - [ 0.0000137100000000, -0.0003441000000000, -0.0007545700000000 ] - [ 0.0016745500000000, 0.0043009600000000, -0.0063274000000000 ] - [ 0.0001778100000000, 0.0003154100000000, -0.0002908100000000 ] - [ 0.0002578400000000, -0.0002354300000000, -0.0000579100000000 ] - [ -0.0000814000000000, 0.0005143700000000, 0.0002987500000000 ] - [ -0.0003888900000000, -0.0036162900000000, -0.0012557300000000 ] - [ -0.0000797500000000, 0.0003009100000000, 0.0000766300000000 ] - [ -0.0003169600000000, -0.0002874100000000, -0.0000921600000000 ] - [ -0.0017074200000000, 0.0053851200000000, -0.0005844900000000 ] - [ 0.0021106100000000, -0.0009289200000000, 0.0031820200000000 ] - [ -0.0005059400000000, 0.0006933900000000, -0.0005480600000000 ] - [ 0.0001466400000000, 0.0004014000000000, 0.0001453200000000 ] - [ 0.0002274200000000, -0.0003392200000000, 0.0002009000000000 ] - [ -0.0000106200000000, 0.0000603100000000, -0.0001351900000000 ] - [ -0.0000255600000000, -0.0006363900000000, -0.0009955800000000 ] - [ 0.0177682300000000, 0.0278924900000000, -0.0154890800000000 ] - [ -0.0001324800000000, -0.0003443800000000, -0.0003640500000000 ] - [ 0.0431559800000000, -0.0324767600000000, -0.0351488000000000 ] - [ -0.0001363900000000, 0.0000297100000000, -0.0000481500000000 ] - [ 0.0006987900000000, -0.0003829300000000, 0.0000071300000000 ] - [ 0.0000635600000000, 0.0000084500000000, 0.0003112900000000 ] - [ -0.0003932300000000, -0.0000363200000000, 0.0004677300000000 ] - [ -0.0003790500000000, 0.0001660000000000, 0.0001117200000000 ] - [ -0.0001755800000000, -0.0003047900000000, -0.0000970700000000 ] - [ 0.0000386700000000, 0.0002688300000000, -0.0007731100000000 ] - [ -0.0000589300000000, -0.0000188900000000, 0.0002211600000000 ] - [ 0.0000163800000000, 0.0003515800000000, 0.0007431300000000 ] - [ -0.0006662600000000, -0.0000498200000000, -0.0003064700000000 ] - [ 0.0000977200000000, 0.0003719500000000, 0.0002409800000000 ] - [ -0.0000253700000000, 0.0001841700000000, 0.0001492900000000 ] - [ 0.0001100600000000, -0.0003769300000000, 0.0002288000000000 ] - [ -0.0001109600000000, 0.0004065900000000, -0.0002041500000000 ] - [ 0.0000522500000000, -0.0003079200000000, -0.0007494600000000 ] - [ 0.0000118200000000, -0.0003502600000000, 0.0006952000000000 ] - [ 0.0000353300000000, 0.0001962900000000, -0.0001200400000000 ] - [ 0.0003516000000000, -0.0001321700000000, -0.0000609100000000 ] - [ 0.0001667400000000, 0.0003256700000000, -0.0000001700000000 ] - [ 0.0000898500000000, -0.0000056000000000, -0.0002372800000000 ] - [ -0.0002031100000000, 0.0003019700000000, -0.0001082500000000 ] - [ 0.0000653500000000, 0.0000227900000000, -0.0002713300000000 ] - [ -0.0002832000000000, -0.0004064000000000, -0.0003440200000000 ] - [ -0.0000504700000000, -0.0001717700000000, 0.0001732200000000 ] - [ -0.0003246700000000, 0.0003864600000000, -0.0003604200000000 ] - [ 0.0002899700000000, 0.0004482200000000, 0.0003219400000000 ] - [ 0.0001652400000000, -0.0003642800000000, 0.0000169100000000 ] - [ -0.0000049000000000, 0.0000796000000000, -0.0000091800000000 ] - [ 0.0000634600000000, -0.0000663000000000, -0.0000207200000000 ] - [ 0.0003588800000000, 0.0001551100000000, -0.0000716400000000 ] - [ -0.0000335500000000, -0.0003047400000000, -0.0003269400000000 ] - [ -0.0000127000000000, 0.0000486100000000, 0.0000683800000000 ] - [ -0.0000212500000000, -0.0000603800000000, 0.0001041200000000 ] - [ 0.0002408000000000, -0.0004074600000000, 0.0004467100000000 ] - [ -0.0001154400000000, 0.0001062700000000, 0.0003025500000000 ] - [ -0.0003427000000000, -0.0001512100000000, 0.0001153500000000 ] - [ 0.0005671200000000, 0.0000147900000000, -0.0002002800000000 ] - [ -0.0004116600000000, -0.0000613100000000, -0.0003189900000000 ] - [ -0.0006587300000000, 0.0000060500000000, 0.0000669900000000 ] - [ -0.0003566400000000, 0.0002829800000000, -0.0000606400000000 ] - [ -0.0006617100000000, -0.0007248600000000, -0.0003401400000000 ] - [ -0.0001998800000000, -0.0003150300000000, -0.0001175900000000 ] - [ 0.0005794400000000, -0.0001371300000000, -0.0004273600000000 ] - [ -0.0009478500000000, -0.0001254600000000, -0.0003049800000000 ] - [ 0.0006700800000000, -0.0003212500000000, -0.0004069700000000 ] - [ 0.0001578500000000, 0.0002752800000000, -0.0000131100000000 ] - [ -0.0007663200000000, -0.0000824900000000, 0.0001903700000000 ] - [ 0.0003639900000000, 0.0000781900000000, 0.0000169100000000 ] - [ 0.0006004100000000, -0.0000147100000000, -0.0002432600000000 ] - [ -0.0005301700000000, -0.0000290600000000, -0.0002575300000000 ] - [ -0.0006893400000000, -0.0000381700000000, 0.0001191100000000 ] - [ -0.0004916000000000, 0.0001139600000000, 0.0001528500000000 ] - [ 0.0002760500000000, -0.0000617800000000, 0.0002214500000000 ] - [ -0.0002726500000000, -0.0002183500000000, -0.0000034700000000 ] - [ 0.0000488500000000, -0.0003453400000000, 0.0001967700000000 ] - [ -0.0005423600000000, -0.0000488000000000, -0.0003355800000000 ] - [ 0.0004662300000000, 0.0000997800000000, -0.0001089400000000 ] - [ 0.0001214400000000, 0.0002321000000000, -0.0002163600000000 ] - [ -0.0008745300000000, -0.0000606100000000, -0.0000996100000000 ] - [ 0.0003461700000000, 0.0000419700000000, 0.0001356700000000 ]- atom: 11 displacement: [ 0.0099986890339478, 0.0000000000000000, -0.0001619185054627 ] forces: - [ 0.0000719500000000, -0.0000835900000000, 0.0000197600000000 ] - [ 0.0000123200000000, 0.0000611100000000, -0.0000176700000000 ] - [ -0.0000750600000000, -0.0000578600000000, -0.0000706500000000 ] - [ -0.0003987500000000, 0.0006072500000000, -0.0001312400000000 ] - [ -0.0003009700000000, -0.0000297300000000, -0.0002538500000000 ] - [ 0.0000483900000000, 0.0000533500000000, 0.0002048900000000 ] - [ 0.0002167000000000, -0.0036461400000000, -0.0016080300000000 ] - [ -0.0008034000000000, 0.0006415900000000, -0.0010574900000000 ] - [ -0.0003287700000000, 0.0001743700000000, 0.0001397700000000 ] - [ -0.0003004300000000, -0.0002850900000000, -0.0002028000000000 ] - [ -0.1078497300000000, 0.0321262900000000, 0.0142062200000000 ] - [ 0.0004974800000000, 0.0004452200000000, -0.0003525200000000 ] - [ -0.0000396200000000, 0.0003532400000000, 0.0007159400000000 ] - [ 0.0000037300000000, -0.0001819600000000, -0.0002674100000000 ] - [ 0.0001371000000000, 0.0003866200000000, -0.0003093800000000 ] - [ -0.0002778900000000, 0.0002361400000000, 0.0001405900000000 ] - [ 0.0000561400000000, -0.0003922100000000, 0.0001815400000000 ] - [ 0.0008598100000000, 0.0030958100000000, 0.0002232100000000 ] - [ -0.0000298000000000, -0.0003241400000000, -0.0007768700000000 ] - [ -0.0000517400000000, -0.0003142000000000, 0.0006600300000000 ] - [ -0.0083715000000000, -0.0083267600000000, 0.0007983900000000 ] - [ 0.0002093900000000, -0.0000066900000000, -0.0000561300000000 ] - [ -0.0097648900000000, -0.0106294100000000, -0.0038965900000000 ] - [ 0.0000800300000000, -0.0000088900000000, -0.0002454400000000 ] - [ 0.0001849400000000, -0.0001789000000000, 0.0000140700000000 ] - [ 0.0003937900000000, -0.0000631400000000, -0.0000529300000000 ] - [ -0.0003082600000000, -0.0004020900000000, -0.0003357300000000 ] - [ -0.0000249000000000, -0.0001695600000000, 0.0001492900000000 ] - [ -0.0000532300000000, 0.0004343300000000, -0.0003358600000000 ] - [ 0.0511598300000000, 0.0024800900000000, -0.0520251100000000 ] - [ 0.0002595000000000, -0.0003159500000000, -0.0000809500000000 ] - [ 0.0000514000000000, 0.0000553600000000, -0.0000267200000000 ] - [ 0.0005563200000000, 0.0004869600000000, 0.0014590700000000 ] - [ 0.0005553300000000, 0.0002271700000000, 0.0000111900000000 ] - [ -0.0001127000000000, -0.0003251600000000, -0.0003187500000000 ] - [ 0.0000963600000000, 0.0000363800000000, 0.0002868100000000 ] - [ 0.0007993700000000, 0.0004246900000000, -0.0001551900000000 ] - [ 0.0003200900000000, -0.0004075700000000, 0.0003688400000000 ] - [ -0.0001621500000000, -0.0000688800000000, 0.0005472500000000 ] - [ 0.0682211600000000, -0.0195397800000000, 0.0397724800000000 ] - [ -0.0003681900000000, 0.0001592300000000, 0.0001025600000000 ] - [ -0.0000910900000000, -0.0002766800000000, -0.0000670900000000 ] - [ -0.0000187400000000, 0.0003093200000000, -0.0006979100000000 ] - [ -0.0000551800000000, 0.0000138200000000, 0.0002372500000000 ] - [ 0.0001902000000000, 0.0003263500000000, 0.0015757800000000 ] - [ 0.0000615300000000, -0.0001802400000000, -0.0001623200000000 ] - [ -0.0001177600000000, 0.0000260200000000, 0.0000997000000000 ] - [ 0.0008947600000000, 0.0021366100000000, 0.0003743700000000 ] - [ 0.0001206500000000, -0.0003835800000000, 0.0001557200000000 ] - [ -0.0001282400000000, 0.0004123000000000, -0.0001991800000000 ] - [ 0.0000155300000000, -0.0003170700000000, -0.0007141300000000 ] - [ 0.0000215500000000, -0.0003302100000000, 0.0006769200000000 ] - [ 0.0000507000000000, 0.0001486300000000, -0.0001507500000000 ] - [ 0.0002918900000000, -0.0000416300000000, -0.0002013200000000 ] - [ 0.0001832200000000, 0.0002989000000000, 0.0000338500000000 ] - [ 0.0000558000000000, 0.0000145600000000, -0.0001864600000000 ] - [ -0.0003157000000000, 0.0003129500000000, -0.0001286700000000 ] - [ 0.0009779900000000, -0.0000990300000000, -0.0003687000000000 ] - [ -0.0002823400000000, -0.0004331500000000, -0.0003332700000000 ] - [ -0.0000615600000000, -0.0001902100000000, 0.0001107200000000 ] - [ 0.0002205400000000, 0.0000387600000000, -0.0006723100000000 ] - [ 0.0003301500000000, 0.0004454000000000, 0.0003417400000000 ] - [ 0.0001752000000000, -0.0003239900000000, 0.0000285500000000 ] - [ 0.0000412500000000, 0.0000606400000000, -0.0000059600000000 ] - [ 0.0000491200000000, -0.0000490500000000, -0.0000544900000000 ] - [ 0.0003281200000000, 0.0001692200000000, -0.0000651500000000 ] - [ -0.0001233500000000, -0.0003903000000000, -0.0002218600000000 ] - [ -0.0000401300000000, 0.0000366200000000, 0.0000384500000000 ] - [ 0.0000646000000000, -0.0000713000000000, -0.0000257500000000 ] - [ 0.0002688000000000, -0.0004290800000000, 0.0003308800000000 ] - [ -0.0000817400000000, 0.0000081300000000, 0.0002182200000000 ] - [ -0.0003348900000000, -0.0001313200000000, 0.0000729600000000 ] - [ 0.0006166000000000, -0.0000317800000000, -0.0001900200000000 ] - [ -0.0005006600000000, -0.0002241700000000, 0.0002383000000000 ] - [ -0.0005186100000000, -0.0000245000000000, 0.0002707800000000 ] - [ 0.0003949200000000, 0.0002451300000000, -0.0003911700000000 ] - [ 0.0008795200000000, -0.0001262100000000, 0.0003269600000000 ] - [ -0.0001575800000000, -0.0002744200000000, 0.0001839800000000 ] - [ 0.0001760300000000, -0.0003211200000000, 0.0001627800000000 ] - [ 0.0002823400000000, 0.0004100400000000, 0.0000297900000000 ] - [ 0.0006480300000000, 0.0000920100000000, -0.0001043200000000 ] - [ 0.0002211500000000, 0.0002688300000000, -0.0000130100000000 ] - [ -0.0007255400000000, 0.0019994500000000, 0.0005938500000000 ] - [ 0.0004367200000000, 0.0000175400000000, 0.0001601300000000 ] - [ 0.0009963300000000, -0.0001272600000000, 0.0002058200000000 ] - [ -0.0004833500000000, -0.0000367800000000, -0.0002573700000000 ] - [ -0.0006386400000000, 0.0000160300000000, 0.0001195100000000 ] - [ -0.0001499100000000, 0.0003116800000000, -0.0000531300000000 ] - [ 0.0000211400000000, 0.0002337700000000, 0.0002448600000000 ] - [ -0.0002140100000000, -0.0003076100000000, -0.0001024700000000 ] - [ 0.0000655300000000, -0.0000635800000000, 0.0006727300000000 ] - [ -0.0004507900000000, 0.0000292800000000, -0.0001988400000000 ] - [ 0.0006336800000000, 0.0001783900000000, -0.0000293200000000 ] - [ 0.0005085700000000, 0.0000494400000000, 0.0001649000000000 ] - [ -0.0005824800000000, -0.0000978900000000, 0.0001835400000000 ] - [ 0.0006809400000000, -0.0000551600000000, 0.0003173400000000 ]- atom: 11 displacement: [ -0.0099986890339478, 0.0000000000000000, 0.0001619185054627 ] forces: - [ -0.0000721700000000, -0.0000830500000000, -0.0000198300000000 ] - [ -0.0000126000000000, 0.0001057600000000, 0.0000179300000000 ] - [ 0.0000753400000000, -0.0001088000000000, 0.0000702300000000 ] - [ 0.0003900000000000, -0.0004413600000000, 0.0001305000000000 ] - [ 0.0003041500000000, 0.0000298100000000, 0.0002549200000000 ] - [ -0.0000489900000000, -0.0000533900000000, -0.0002052400000000 ] - [ -0.0002331400000000, 0.0036121300000000, 0.0016367400000000 ] - [ 0.0008019100000000, -0.0006389100000000, 0.0010527500000000 ] - [ -0.0003730800000000, 0.0001284300000000, 0.0000298600000000 ] - [ -0.0000540300000000, -0.0003545000000000, 0.0001093100000000 ] - [ 0.1090204500000000, -0.0326825800000000, -0.0153928300000000 ] - [ -0.0006594400000000, -0.0004658100000000, 0.0007947600000000 ] - [ 0.0000366400000000, 0.0002839500000000, 0.0007260900000000 ] - [ 0.0000845600000000, -0.0001813100000000, -0.0000313400000000 ] - [ 0.0000950100000000, 0.0003962700000000, 0.0007433700000000 ] - [ 0.0001898200000000, 0.0001275800000000, 0.0001563000000000 ] - [ 0.0001830500000000, -0.0003897200000000, 0.0002535300000000 ] - [ -0.0010639700000000, -0.0023094900000000, -0.0006616400000000 ] - [ 0.0000334300000000, -0.0003138300000000, -0.0006641900000000 ] - [ 0.0000475900000000, -0.0003230700000000, 0.0007817800000000 ] - [ 0.0085018700000000, 0.0086328500000000, -0.0011482500000000 ] - [ 0.0004925800000000, -0.0002967800000000, -0.0001140700000000 ] - [ 0.0102032600000000, 0.0112924900000000, 0.0039648700000000 ] - [ 0.0000575600000000, 0.0000114000000000, -0.0002196900000000 ] - [ -0.0005426100000000, 0.0008169100000000, -0.0001063600000000 ] - [ -0.0002632000000000, 0.0000626200000000, -0.0004078700000000 ] - [ -0.0002785500000000, -0.0004391100000000, -0.0003458300000000 ] - [ -0.0000639000000000, -0.0001941000000000, 0.0001490500000000 ] - [ -0.0005348900000000, 0.0004072800000000, -0.0003467000000000 ] - [ -0.0508433700000000, -0.0014475600000000, 0.0540259500000000 ] - [ 0.0000947200000000, -0.0003229500000000, 0.0001722800000000 ] - [ 0.0000237200000000, 0.0000605800000000, -0.0000567000000000 ] - [ -0.0005001900000000, -0.0006423700000000, -0.0015207100000000 ] - [ 0.0001467400000000, 0.0000791500000000, -0.0001793000000000 ] - [ -0.0001244200000000, -0.0004590100000000, -0.0001157100000000 ] - [ -0.0001734400000000, 0.0000772900000000, -0.0002034700000000 ] - [ -0.0008599600000000, -0.0005408300000000, 0.0002331000000000 ] - [ 0.0002661500000000, -0.0004327900000000, 0.0003135600000000 ] - [ 0.0000234800000000, 0.0000720700000000, -0.0000830300000000 ] - [ -0.0699959700000000, 0.0203003900000000, -0.0410642100000000 ] - [ -0.0003333700000000, 0.0001437100000000, 0.0000663300000000 ] - [ -0.0002625000000000, -0.0003610200000000, -0.0000259500000000 ] - [ 0.0000228400000000, 0.0003282500000000, -0.0007438500000000 ] - [ -0.0000826400000000, -0.0000154800000000, 0.0002276700000000 ] - [ -0.0002028400000000, 0.0003097700000000, -0.0001195500000000 ] - [ 0.0000265600000000, -0.0001838800000000, -0.0001371000000000 ] - [ 0.0003462600000000, 0.0007531600000000, 0.0003275600000000 ] - [ -0.0009582200000000, -0.0017301900000000, -0.0000730700000000 ] - [ 0.0001177500000000, -0.0003989700000000, 0.0002778800000000 ] - [ -0.0001090200000000, 0.0003711900000000, -0.0002346300000000 ] - [ -0.0000116200000000, -0.0003195400000000, -0.0007269600000000 ] - [ -0.0000251700000000, -0.0003074300000000, 0.0007648400000000 ] - [ 0.0000382600000000, 0.0002149300000000, -0.0001482800000000 ] - [ 0.0004058500000000, -0.0002586500000000, 0.0000278300000000 ] - [ 0.0001724600000000, 0.0003385000000000, 0.0000588600000000 ] - [ 0.0000821300000000, -0.0000119900000000, -0.0002771300000000 ] - [ -0.0000369100000000, 0.0003258400000000, 0.0000354700000000 ] - [ -0.0008131100000000, 0.0000931700000000, -0.0001006600000000 ] - [ -0.0003038200000000, -0.0004080100000000, -0.0003492000000000 ] - [ -0.0000265300000000, -0.0001735500000000, 0.0001884300000000 ] - [ -0.0007977200000000, 0.0007981600000000, -0.0000212800000000 ] - [ 0.0002570300000000, 0.0003953100000000, 0.0003415400000000 ] - [ 0.0001792100000000, -0.0003140800000000, 0.0000647500000000 ] - [ 0.0000334000000000, 0.0000546400000000, -0.0000777000000000 ] - [ 0.0000249400000000, -0.0000655800000000, -0.0000289900000000 ] - [ 0.0003731000000000, 0.0001338000000000, -0.0001032800000000 ] - [ -0.0001138900000000, -0.0003928900000000, -0.0002122700000000 ] - [ -0.0000343900000000, 0.0000786300000000, 0.0000451100000000 ] - [ -0.0001377400000000, -0.0000451200000000, 0.0001085100000000 ] - [ 0.0003178200000000, -0.0004114600000000, 0.0003516100000000 ] - [ -0.0000556400000000, -0.0000054900000000, 0.0002457300000000 ] - [ -0.0003662200000000, -0.0001716600000000, 0.0000950500000000 ] - [ 0.0006481400000000, -0.0000069100000000, -0.0001284500000000 ] - [ -0.0003938400000000, 0.0001544500000000, -0.0006795700000000 ] - [ -0.0007464400000000, 0.0000627200000000, 0.0000474700000000 ] - [ -0.0007617800000000, 0.0003168100000000, 0.0002893800000000 ] - [ 0.0000126500000000, 0.0000641900000000, 0.0001166800000000 ] - [ -0.0002325300000000, -0.0003088200000000, -0.0002599900000000 ] - [ 0.0002128700000000, -0.0002609500000000, -0.0000830700000000 ] - [ -0.0011783500000000, -0.0003450400000000, -0.0004789000000000 ] - [ 0.0006163500000000, -0.0000539900000000, -0.0002144900000000 ] - [ 0.0001685900000000, 0.0003145200000000, 0.0000907100000000 ] - [ -0.0005222400000000, -0.0020045500000000, -0.0002910400000000 ] - [ 0.0004603400000000, 0.0000471000000000, 0.0002836500000000 ] - [ 0.0002694600000000, 0.0000904600000000, -0.0005241800000000 ] - [ -0.0004127900000000, -0.0000278300000000, -0.0001861100000000 ] - [ -0.0006259200000000, 0.0000225700000000, 0.0001990800000000 ] - [ -0.0002387800000000, 0.0002704800000000, -0.0000251100000000 ] - [ 0.0008767000000000, -0.0002921900000000, 0.0001979500000000 ] - [ -0.0001752500000000, -0.0002756600000000, 0.0000238200000000 ] - [ 0.0003229700000000, -0.0005148900000000, -0.0005940100000000 ] - [ -0.0004453700000000, 0.0000339300000000, -0.0002456000000000 ] - [ 0.0006324600000000, -0.0001403400000000, -0.0002934200000000 ] - [ -0.0001211100000000, 0.0005347200000000, -0.0000843300000000 ] - [ -0.0006821400000000, 0.0000597500000000, 0.0001350200000000 ] - [ 0.0002156200000000, 0.0001197800000000, 0.0001272800000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000181900000000, -0.0000970000000000, -0.0000129700000000 ] - [ -0.0001287900000000, 0.0000514100000000, -0.0000097900000000 ] - [ 0.0000512700000000, -0.0000916400000000, 0.0000243400000000 ] - [ -0.0007694600000000, -0.0001810100000000, -0.0004566100000000 ] - [ -0.0006108700000000, 0.0000205100000000, -0.0002829900000000 ] - [ -0.0001673700000000, 0.0000184100000000, 0.0000940300000000 ] - [ -0.0016160900000000, 0.0010404700000000, 0.0025779200000000 ] - [ 0.0005219000000000, -0.0007128900000000, 0.0001387300000000 ] - [ -0.0003493700000000, 0.0001586100000000, 0.0001026600000000 ] - [ -0.0001519000000000, -0.0002743300000000, 0.0000499000000000 ] - [ 0.0328423300000000, -0.0560462400000000, 0.0160827700000000 ] - [ -0.0000649400000000, 0.0007073100000000, 0.0047978100000000 ] - [ -0.0000366600000000, 0.0003693400000000, 0.0007774300000000 ] - [ 0.0001029900000000, -0.0001568400000000, -0.0001325600000000 ] - [ 0.0002392300000000, 0.0005343500000000, 0.0001544200000000 ] - [ -0.0000503000000000, 0.0000006800000000, 0.0001161700000000 ] - [ -0.0001914600000000, -0.0004770900000000, 0.0000149000000000 ] - [ -0.0002063400000000, -0.0018647200000000, -0.0014917600000000 ] - [ 0.0000082200000000, -0.0003713600000000, -0.0007352400000000 ] - [ -0.0000001000000000, -0.0002811300000000, 0.0006785200000000 ] - [ -0.0079391500000000, 0.0015324100000000, 0.0077515600000000 ] - [ 0.0003836300000000, -0.0001081500000000, -0.0001147200000000 ] - [ -0.0065243500000000, 0.0173226200000000, -0.0061170600000000 ] - [ 0.0001305500000000, 0.0000082900000000, -0.0001850700000000 ] - [ -0.0002617000000000, 0.0002437900000000, -0.0000892400000000 ] - [ -0.0003744000000000, -0.0002471800000000, -0.0001018800000000 ] - [ -0.0002708900000000, -0.0003934000000000, -0.0003569600000000 ] - [ -0.0000538400000000, -0.0001957900000000, 0.0001751100000000 ] - [ -0.0002269300000000, 0.0005388000000000, -0.0003965000000000 ] - [ 0.0029606200000000, 0.0159433100000000, 0.0027679500000000 ] - [ 0.0002204800000000, -0.0002144700000000, 0.0000120400000000 ] - [ 0.0000151200000000, 0.0000236500000000, 0.0000489400000000 ] - [ 0.0009566200000000, 0.0023128100000000, -0.0046651400000000 ] - [ 0.0002682800000000, -0.0001233500000000, -0.0002445900000000 ] - [ -0.0001593100000000, -0.0004993400000000, -0.0001790300000000 ] - [ 0.0004081400000000, 0.0003091100000000, 0.0002883200000000 ] - [ -0.0000318300000000, -0.0000884200000000, 0.0002374900000000 ] - [ 0.0002539900000000, -0.0003817500000000, 0.0003996300000000 ] - [ 0.0000121500000000, 0.0000582700000000, -0.0000158300000000 ] - [ -0.0228846600000000, 0.0200959800000000, -0.0187919600000000 ] - [ -0.0003512200000000, 0.0001386500000000, 0.0000749100000000 ] - [ -0.0002052100000000, -0.0003363000000000, 0.0000003700000000 ] - [ -0.0000061000000000, 0.0003599600000000, -0.0007232600000000 ] - [ -0.0000688500000000, 0.0000243300000000, 0.0002506700000000 ] - [ -0.0000125300000000, 0.0001609500000000, 0.0010528100000000 ] - [ 0.0000401400000000, -0.0001857600000000, -0.0001666900000000 ] - [ -0.0003362300000000, 0.0002095500000000, 0.0000126100000000 ] - [ 0.0023590300000000, 0.0012815300000000, -0.0000992800000000 ] - [ 0.0001352700000000, -0.0004077600000000, 0.0002359700000000 ] - [ -0.0001045700000000, 0.0003843900000000, -0.0002309200000000 ] - [ 0.0000022000000000, -0.0003202600000000, -0.0007236200000000 ] - [ -0.0000140600000000, -0.0003061500000000, 0.0007565700000000 ] - [ 0.0000297600000000, 0.0001545500000000, -0.0001606900000000 ] - [ 0.0002482900000000, -0.0000576700000000, -0.0000559100000000 ] - [ 0.0001890300000000, 0.0002862300000000, 0.0000794600000000 ] - [ 0.0000533000000000, -0.0000013400000000, -0.0002398100000000 ] - [ -0.0001929800000000, 0.0003257500000000, -0.0000379100000000 ] - [ 0.0007306700000000, -0.0000852600000000, -0.0004297900000000 ] - [ -0.0003063100000000, -0.0004272200000000, -0.0003504400000000 ] - [ -0.0000367800000000, -0.0001656300000000, 0.0001242900000000 ] - [ -0.0008238000000000, 0.0004345900000000, -0.0008967500000000 ] - [ 0.0003210000000000, 0.0004191300000000, 0.0003674500000000 ] - [ 0.0001810200000000, -0.0003141800000000, 0.0000796600000000 ] - [ 0.0000293100000000, 0.0000623700000000, -0.0000653200000000 ] - [ 0.0000194400000000, -0.0000344800000000, -0.0000568500000000 ] - [ 0.0003478200000000, 0.0001509200000000, -0.0000975500000000 ] - [ -0.0001170900000000, -0.0003872200000000, -0.0002257800000000 ] - [ -0.0000542000000000, 0.0000593900000000, 0.0000260700000000 ] - [ -0.0000322200000000, -0.0000812700000000, -0.0000097600000000 ] - [ 0.0002913400000000, -0.0004075500000000, 0.0003455100000000 ] - [ -0.0000810200000000, -0.0000076100000000, 0.0002461700000000 ] - [ -0.0003582800000000, -0.0001359400000000, 0.0000673100000000 ] - [ 0.0006676100000000, -0.0000117300000000, -0.0001831100000000 ] - [ -0.0006693000000000, 0.0004358100000000, -0.0005909300000000 ] - [ -0.0005980100000000, 0.0003054300000000, 0.0002496800000000 ] - [ 0.0000498300000000, 0.0000659400000000, -0.0007207500000000 ] - [ 0.0008089100000000, -0.0000702600000000, 0.0003470900000000 ] - [ -0.0002522900000000, -0.0002546600000000, -0.0000702700000000 ] - [ 0.0002464800000000, -0.0003241600000000, 0.0001738600000000 ] - [ -0.0003586700000000, -0.0000413600000000, -0.0005673900000000 ] - [ 0.0007177000000000, 0.0000578000000000, -0.0000943700000000 ] - [ 0.0002557900000000, 0.0002788000000000, -0.0000105000000000 ] - [ -0.0002029400000000, 0.0004258400000000, -0.0002898300000000 ] - [ 0.0004731300000000, 0.0000205000000000, 0.0001990700000000 ] - [ 0.0004796800000000, -0.0000330500000000, -0.0002804800000000 ] - [ -0.0003888200000000, -0.0000437600000000, -0.0002194900000000 ] - [ -0.0006013400000000, 0.0000205100000000, 0.0001473200000000 ] - [ -0.0000782100000000, 0.0003015700000000, -0.0000507900000000 ] - [ 0.0007683800000000, 0.0000084100000000, 0.0001075500000000 ] - [ -0.0001763100000000, -0.0003019700000000, -0.0000745700000000 ] - [ 0.0002843300000000, -0.0002736700000000, -0.0002554400000000 ] - [ -0.0003449300000000, 0.0000437900000000, -0.0001806200000000 ] - [ 0.0007327800000000, -0.0002950600000000, -0.0003908200000000 ] - [ 0.0000918600000000, 0.0004341600000000, 0.0002576500000000 ] - [ -0.0005251600000000, -0.0000933500000000, 0.0001827400000000 ] - [ 0.0004567300000000, 0.0000698000000000, 0.0002541900000000 ]- atom: 11 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000174700000000, -0.0000702900000000, 0.0000125700000000 ] - [ 0.0001289300000000, 0.0001161900000000, 0.0000098400000000 ] - [ -0.0000510800000000, -0.0000754100000000, -0.0000246900000000 ] - [ 0.0007616900000000, 0.0003621700000000, 0.0004690100000000 ] - [ 0.0006021100000000, -0.0000215900000000, 0.0002819400000000 ] - [ 0.0001662000000000, -0.0000188200000000, -0.0000956200000000 ] - [ 0.0016447200000000, -0.0009902200000000, -0.0026094500000000 ] - [ -0.0005232900000000, 0.0007237100000000, -0.0001459200000000 ] - [ -0.0003540800000000, 0.0001457200000000, 0.0000650500000000 ] - [ -0.0002057400000000, -0.0003659000000000, -0.0001415800000000 ] - [ -0.0324976900000000, 0.0566567300000000, -0.0163751400000000 ] - [ -0.0000576100000000, -0.0007302700000000, -0.0043467700000000 ] - [ 0.0000321400000000, 0.0002657300000000, 0.0006647300000000 ] - [ -0.0000137200000000, -0.0002088300000000, -0.0001661400000000 ] - [ -0.0000029400000000, 0.0002500200000000, 0.0002777900000000 ] - [ -0.0000408000000000, 0.0003660100000000, 0.0001813600000000 ] - [ 0.0004300600000000, -0.0003076400000000, 0.0004155400000000 ] - [ -0.0000367400000000, 0.0026552900000000, 0.0010933600000000 ] - [ -0.0000028100000000, -0.0002634500000000, -0.0007062900000000 ] - [ -0.0000063600000000, -0.0003535400000000, 0.0007614400000000 ] - [ 0.0080206400000000, -0.0012007300000000, -0.0079680000000000 ] - [ 0.0003190100000000, -0.0001959100000000, -0.0000529500000000 ] - [ 0.0066955000000000, -0.0165962900000000, 0.0060779400000000 ] - [ 0.0000087900000000, -0.0000077700000000, -0.0002801600000000 ] - [ -0.0000943200000000, 0.0003958400000000, -0.0000036000000000 ] - [ 0.0005187300000000, 0.0002437800000000, -0.0003581800000000 ] - [ -0.0003131300000000, -0.0004457700000000, -0.0003262400000000 ] - [ -0.0000358800000000, -0.0001687700000000, 0.0001240000000000 ] - [ -0.0003559500000000, 0.0003007800000000, -0.0002875800000000 ] - [ -0.0022001300000000, -0.0152060400000000, -0.0024852400000000 ] - [ 0.0001357300000000, -0.0004256500000000, 0.0000783500000000 ] - [ 0.0000578300000000, 0.0000912700000000, -0.0001330200000000 ] - [ -0.0008809700000000, -0.0024031000000000, 0.0045571700000000 ] - [ 0.0004375800000000, 0.0004296700000000, 0.0000786700000000 ] - [ -0.0000784400000000, -0.0002855000000000, -0.0002541500000000 ] - [ -0.0004801800000000, -0.0001931200000000, -0.0002030100000000 ] - [ -0.0000339400000000, -0.0000265900000000, -0.0001563000000000 ] - [ 0.0003301600000000, -0.0004575500000000, 0.0002836000000000 ] - [ -0.0001527700000000, -0.0000567300000000, 0.0004838300000000 ] - [ 0.0217780800000000, -0.0203347600000000, 0.0183031500000000 ] - [ -0.0003520100000000, 0.0001659100000000, 0.0000918800000000 ] - [ -0.0001506100000000, -0.0003035700000000, -0.0000919300000000 ] - [ 0.0000117200000000, 0.0002748500000000, -0.0007181700000000 ] - [ -0.0000706700000000, -0.0000248000000000, 0.0002151400000000 ] - [ -0.0000058600000000, 0.0004738100000000, 0.0003784100000000 ] - [ 0.0000484400000000, -0.0001793600000000, -0.0001329300000000 ] - [ 0.0005765400000000, 0.0005752200000000, 0.0004186000000000 ] - [ -0.0024021000000000, -0.0009305100000000, 0.0003883400000000 ] - [ 0.0001040800000000, -0.0003765100000000, 0.0001961900000000 ] - [ -0.0001338700000000, 0.0004001000000000, -0.0002017100000000 ] - [ 0.0000034600000000, -0.0003144200000000, -0.0007176000000000 ] - [ 0.0000088400000000, -0.0003285200000000, 0.0006843100000000 ] - [ 0.0000594600000000, 0.0002113900000000, -0.0001384000000000 ] - [ 0.0004581900000000, -0.0002466700000000, -0.0001111500000000 ] - [ 0.0001670200000000, 0.0003536800000000, 0.0000121500000000 ] - [ 0.0000857100000000, 0.0000022400000000, -0.0002254000000000 ] - [ -0.0001624500000000, 0.0003129200000000, -0.0000545600000000 ] - [ -0.0005954100000000, 0.0000872600000000, -0.0000366700000000 ] - [ -0.0002779400000000, -0.0004119200000000, -0.0003332800000000 ] - [ -0.0000519500000000, -0.0001993800000000, 0.0001743900000000 ] - [ 0.0002489800000000, 0.0004129500000000, 0.0002144200000000 ] - [ 0.0002634200000000, 0.0004191600000000, 0.0003164500000000 ] - [ 0.0001746700000000, -0.0003250900000000, 0.0000123200000000 ] - [ 0.0000434600000000, 0.0000517600000000, -0.0000186600000000 ] - [ 0.0000530700000000, -0.0000797900000000, -0.0000265300000000 ] - [ 0.0003552300000000, 0.0001535900000000, -0.0000689200000000 ] - [ -0.0001214600000000, -0.0003974600000000, -0.0002076200000000 ] - [ -0.0000186600000000, 0.0000549900000000, 0.0000573000000000 ] - [ -0.0000422500000000, -0.0000324000000000, 0.0000944600000000 ] - [ 0.0002929300000000, -0.0004311000000000, 0.0003381700000000 ] - [ -0.0000578200000000, 0.0000084100000000, 0.0002192500000000 ] - [ -0.0003445600000000, -0.0001689000000000, 0.0000989100000000 ] - [ 0.0005964200000000, -0.0000289800000000, -0.0001347000000000 ] - [ -0.0002272200000000, -0.0005055400000000, 0.0001501900000000 ] - [ -0.0006663600000000, -0.0002662900000000, 0.0000690200000000 ] - [ -0.0004512500000000, 0.0004993400000000, 0.0006556100000000 ] - [ 0.0000943600000000, 0.0000074800000000, 0.0000975000000000 ] - [ -0.0001377100000000, -0.0003295900000000, -0.0000078800000000 ] - [ 0.0001437900000000, -0.0002588700000000, -0.0000917400000000 ] - [ -0.0005428700000000, 0.0001002200000000, 0.0001311000000000 ] - [ 0.0005474300000000, -0.0000177800000000, -0.0002239100000000 ] - [ 0.0001338000000000, 0.0003056000000000, 0.0000907100000000 ] - [ -0.0010493900000000, -0.0004998200000000, 0.0005837500000000 ] - [ 0.0004200700000000, 0.0000452400000000, 0.0002433800000000 ] - [ 0.0007859400000000, -0.0000104000000000, -0.0000327800000000 ] - [ -0.0005055300000000, -0.0000209100000000, -0.0002228300000000 ] - [ -0.0006626900000000, 0.0000188100000000, 0.0001713300000000 ] - [ -0.0003087500000000, 0.0002824200000000, -0.0000312700000000 ] - [ 0.0001257400000000, -0.0000769000000000, 0.0003371600000000 ] - [ -0.0002131100000000, -0.0002816000000000, -0.0000046300000000 ] - [ 0.0001047900000000, -0.0003144400000000, 0.0003342700000000 ] - [ -0.0005478200000000, 0.0000201000000000, -0.0002623200000000 ] - [ 0.0005263000000000, 0.0003370600000000, 0.0000772300000000 ] - [ 0.0002981000000000, 0.0001468000000000, -0.0001797900000000 ] - [ -0.0007369800000000, 0.0000528700000000, 0.0001352100000000 ] - [ 0.0004385500000000, -0.0000053300000000, 0.0001889300000000 ]- atom: 11 displacement: [ -0.0020666810454366, 0.0000000000000000, 0.0097841110713459 ] forces: - [ 0.0000122300000000, -0.0000750200000000, 0.0000246000000000 ] - [ -0.0000672100000000, 0.0000581500000000, -0.0000338300000000 ] - [ -0.0000620900000000, -0.0000827300000000, 0.0001057100000000 ] - [ 0.0000576700000000, -0.0010137400000000, -0.0000731800000000 ] - [ 0.0007271500000000, 0.0001140700000000, 0.0000585200000000 ] - [ 0.0000036800000000, 0.0000036200000000, 0.0001349400000000 ] - [ -0.0014796100000000, 0.0044117700000000, 0.0012876400000000 ] - [ 0.0004259500000000, -0.0013872700000000, 0.0022315400000000 ] - [ -0.0003320900000000, 0.0002065100000000, 0.0000512200000000 ] - [ -0.0001939000000000, -0.0003952600000000, -0.0001099900000000 ] - [ 0.0366419900000000, 0.0089312800000000, -0.1296268800000000 ] - [ 0.0018670300000000, -0.0012854600000000, -0.0005726900000000 ] - [ -0.0000020800000000, 0.0002545500000000, 0.0006320500000000 ] - [ -0.0000446800000000, -0.0003044200000000, -0.0000293600000000 ] - [ 0.0001319500000000, 0.0005590600000000, 0.0003005100000000 ] - [ -0.0000367700000000, -0.0002268700000000, 0.0002901400000000 ] - [ 0.0003825400000000, -0.0003251000000000, 0.0003897700000000 ] - [ -0.0012542900000000, -0.0016564700000000, 0.0002731900000000 ] - [ -0.0000456300000000, -0.0003020600000000, -0.0007470100000000 ] - [ -0.0000511900000000, -0.0003580100000000, 0.0007597000000000 ] - [ 0.0058316300000000, 0.0233995900000000, 0.0192217700000000 ] - [ 0.0003045700000000, -0.0001476100000000, -0.0000272000000000 ] - [ -0.0014732200000000, -0.0180260000000000, 0.0071143700000000 ] - [ 0.0000452900000000, -0.0000203700000000, -0.0002645000000000 ] - [ -0.0000354300000000, 0.0003268500000000, 0.0000211500000000 ] - [ 0.0002806700000000, 0.0005289200000000, -0.0008295400000000 ] - [ -0.0002724200000000, -0.0004313500000000, -0.0003141600000000 ] - [ -0.0000553800000000, -0.0001753200000000, 0.0001490900000000 ] - [ -0.0004356000000000, 0.0003866800000000, -0.0003305500000000 ] - [ -0.0546112100000000, -0.0116103000000000, 0.0795270300000000 ] - [ 0.0001886000000000, -0.0002517500000000, -0.0000113900000000 ] - [ 0.0000365000000000, 0.0000062400000000, -0.0000498100000000 ] - [ -0.0022528400000000, 0.0026207800000000, -0.0017024500000000 ] - [ 0.0004814100000000, 0.0002762800000000, -0.0000465800000000 ] - [ -0.0001701000000000, -0.0002692100000000, -0.0000876000000000 ] - [ -0.0004924300000000, -0.0000262500000000, -0.0002699200000000 ] - [ -0.0008539600000000, 0.0001505300000000, 0.0002922200000000 ] - [ 0.0003589700000000, -0.0004845300000000, 0.0003100500000000 ] - [ 0.0000849700000000, -0.0000390300000000, 0.0003895100000000 ] - [ 0.0174738000000000, -0.0003198200000000, 0.0242252300000000 ] - [ -0.0003556300000000, 0.0001568700000000, 0.0000909400000000 ] - [ -0.0002805200000000, -0.0003775800000000, -0.0000079200000000 ] - [ 0.0000301200000000, 0.0003157200000000, -0.0007470400000000 ] - [ -0.0000486600000000, -0.0000135500000000, 0.0002457900000000 ] - [ 0.0007845200000000, -0.0000160900000000, 0.0005943300000000 ] - [ 0.0000599700000000, -0.0001866300000000, -0.0001566400000000 ] - [ -0.0001989600000000, 0.0004623100000000, 0.0002197600000000 ] - [ 0.0005719100000000, -0.0003042800000000, -0.0004824700000000 ] - [ 0.0001176000000000, -0.0004137700000000, 0.0003011000000000 ] - [ -0.0001100400000000, 0.0004078200000000, -0.0002427100000000 ] - [ 0.0000076000000000, -0.0003135600000000, -0.0006933500000000 ] - [ -0.0000505400000000, -0.0002789700000000, 0.0007666700000000 ] - [ 0.0000263600000000, 0.0001758100000000, -0.0001270900000000 ] - [ -0.0000097700000000, -0.0001536200000000, -0.0001015600000000 ] - [ 0.0001750200000000, 0.0003116600000000, 0.0000723700000000 ] - [ 0.0001021500000000, 0.0000112200000000, -0.0002299500000000 ] - [ -0.0002109800000000, 0.0003937900000000, -0.0000127500000000 ] - [ -0.0005542300000000, -0.0002763100000000, -0.0001770300000000 ] - [ -0.0002749500000000, -0.0004351500000000, -0.0003119600000000 ] - [ -0.0000514500000000, -0.0001546300000000, 0.0001570700000000 ] - [ -0.0004294000000000, 0.0007619700000000, -0.0004339000000000 ] - [ 0.0003002700000000, 0.0004226400000000, 0.0003472300000000 ] - [ 0.0001835700000000, -0.0003296800000000, 0.0000270300000000 ] - [ 0.0000407800000000, 0.0000635300000000, -0.0000163300000000 ] - [ 0.0000179600000000, -0.0000601300000000, -0.0000684300000000 ] - [ 0.0003991300000000, 0.0001472400000000, -0.0001254800000000 ] - [ -0.0001099400000000, -0.0003901000000000, -0.0001906500000000 ] - [ -0.0000302400000000, 0.0000804900000000, 0.0000076900000000 ] - [ 0.0000915500000000, -0.0000942100000000, 0.0001584500000000 ] - [ 0.0002783400000000, -0.0004191600000000, 0.0003303800000000 ] - [ -0.0000838400000000, -0.0000036700000000, 0.0002168600000000 ] - [ -0.0003661400000000, -0.0001463300000000, 0.0000797600000000 ] - [ 0.0006355700000000, -0.0000203300000000, -0.0001859600000000 ] - [ -0.0004226900000000, 0.0002596500000000, -0.0008089900000000 ] - [ -0.0005701300000000, 0.0005765700000000, -0.0000024400000000 ] - [ -0.0003556400000000, -0.0001160800000000, 0.0003254900000000 ] - [ -0.0001941300000000, -0.0000246800000000, 0.0000798800000000 ] - [ -0.0001458800000000, -0.0002740600000000, -0.0004448500000000 ] - [ 0.0001351200000000, -0.0002681100000000, -0.0000957400000000 ] - [ -0.0009174500000000, -0.0007239400000000, -0.0004966000000000 ] - [ 0.0005587400000000, -0.0000879800000000, -0.0001667400000000 ] - [ 0.0002162600000000, 0.0002789600000000, 0.0000058900000000 ] - [ -0.0006395600000000, -0.0019351800000000, 0.0013749100000000 ] - [ 0.0004432600000000, 0.0000218600000000, 0.0001779400000000 ] - [ 0.0003045100000000, 0.0001182900000000, -0.0009108400000000 ] - [ -0.0004669800000000, -0.0000346000000000, -0.0002404900000000 ] - [ -0.0006262300000000, 0.0000305100000000, 0.0001281800000000 ] - [ -0.0002914900000000, 0.0002130400000000, 0.0001325400000000 ] - [ 0.0011706400000000, -0.0003144400000000, 0.0003548200000000 ] - [ -0.0001894700000000, -0.0002953300000000, -0.0000691000000000 ] - [ 0.0004349400000000, -0.0005307400000000, -0.0005709200000000 ] - [ -0.0004831600000000, 0.0000209300000000, -0.0002122000000000 ] - [ 0.0007461600000000, -0.0002615900000000, -0.0002377100000000 ] - [ -0.0000171800000000, 0.0007494200000000, -0.0004792500000000 ] - [ -0.0007602100000000, 0.0001053800000000, 0.0001861600000000 ] - [ 0.0002990100000000, 0.0001478400000000, 0.0000025300000000 ]- atom: 11 displacement: [ 0.0020666810454366, 0.0000000000000000, -0.0097841110713459 ] forces: - [ -0.0000088900000000, -0.0000953600000000, -0.0000238700000000 ] - [ 0.0000685400000000, 0.0001117900000000, 0.0000335900000000 ] - [ 0.0000607600000000, -0.0000867100000000, -0.0001076100000000 ] - [ -0.0000773500000000, 0.0011798300000000, 0.0000897100000000 ] - [ -0.0007091000000000, -0.0001127900000000, -0.0000610400000000 ] - [ 0.0000010900000000, -0.0000030100000000, -0.0001279800000000 ] - [ 0.0014913800000000, -0.0045007200000000, -0.0013355200000000 ] - [ -0.0004496500000000, 0.0013722900000000, -0.0022182800000000 ] - [ -0.0003724000000000, 0.0000977800000000, 0.0001168000000000 ] - [ -0.0001574600000000, -0.0002456900000000, 0.0000150300000000 ] - [ -0.0330990100000000, -0.0093172800000000, 0.1235405000000000 ] - [ -0.0020262400000000, 0.0013347300000000, 0.0010423500000000 ] - [ -0.0000038500000000, 0.0003814500000000, 0.0008103000000000 ] - [ 0.0001328500000000, -0.0000582200000000, -0.0002724400000000 ] - [ 0.0001046000000000, 0.0002270600000000, 0.0001331000000000 ] - [ -0.0000494200000000, 0.0005830600000000, 0.0000095000000000 ] - [ -0.0001426400000000, -0.0004585400000000, 0.0000461000000000 ] - [ 0.0009833500000000, 0.0023905000000000, -0.0007078300000000 ] - [ 0.0000516000000000, -0.0003347300000000, -0.0006958100000000 ] - [ 0.0000471300000000, -0.0002778900000000, 0.0006832200000000 ] - [ -0.0057189800000000, -0.0228529800000000, -0.0191575100000000 ] - [ 0.0003997700000000, -0.0001561400000000, -0.0001412200000000 ] - [ 0.0018249900000000, 0.0187145100000000, -0.0070497500000000 ] - [ 0.0000913700000000, 0.0000218500000000, -0.0002026500000000 ] - [ -0.0003209300000000, 0.0003107600000000, -0.0001122600000000 ] - [ -0.0001365600000000, -0.0005201900000000, 0.0003603600000000 ] - [ -0.0003145700000000, -0.0004077400000000, -0.0003707300000000 ] - [ -0.0000303200000000, -0.0001881500000000, 0.0001479800000000 ] - [ -0.0001502400000000, 0.0004541300000000, -0.0003552700000000 ] - [ 0.0525794400000000, 0.0125334300000000, -0.0735317300000000 ] - [ 0.0001689700000000, -0.0003872000000000, 0.0000989400000000 ] - [ 0.0000371400000000, 0.0001086900000000, -0.0000319500000000 ] - [ 0.0023030900000000, -0.0026855900000000, 0.0015999900000000 ] - [ 0.0002218000000000, 0.0000327900000000, -0.0001152300000000 ] - [ -0.0000685900000000, -0.0005162000000000, -0.0003478200000000 ] - [ 0.0004200400000000, 0.0001402600000000, 0.0003610200000000 ] - [ 0.0007862900000000, -0.0002621600000000, -0.0002115700000000 ] - [ 0.0002253100000000, -0.0003544500000000, 0.0003761300000000 ] - [ -0.0002264600000000, 0.0000411400000000, 0.0000770000000000 ] - [ -0.0190796700000000, 0.0006760400000000, -0.0250009000000000 ] - [ -0.0003491000000000, 0.0001475700000000, 0.0000767600000000 ] - [ -0.0000728000000000, -0.0002619200000000, -0.0000848800000000 ] - [ -0.0000236700000000, 0.0003191500000000, -0.0006954900000000 ] - [ -0.0000879600000000, 0.0000125400000000, 0.0002201800000000 ] - [ -0.0007879300000000, 0.0006475000000000, 0.0008505500000000 ] - [ 0.0000272200000000, -0.0001776900000000, -0.0001423300000000 ] - [ 0.0004409900000000, 0.0003218200000000, 0.0002155100000000 ] - [ -0.0006843300000000, 0.0006662800000000, 0.0007788900000000 ] - [ 0.0001223300000000, -0.0003695700000000, 0.0001312400000000 ] - [ -0.0001297300000000, 0.0003764700000000, -0.0001897700000000 ] - [ -0.0000014900000000, -0.0003209800000000, -0.0007477800000000 ] - [ 0.0000451200000000, -0.0003567200000000, 0.0006741300000000 ] - [ 0.0000604200000000, 0.0001887700000000, -0.0001706800000000 ] - [ 0.0007127900000000, -0.0001513300000000, -0.0000690000000000 ] - [ 0.0001802200000000, 0.0003287100000000, 0.0000181900000000 ] - [ 0.0000356300000000, -0.0000095200000000, -0.0002337900000000 ] - [ -0.0001470700000000, 0.0002487800000000, -0.0000806200000000 ] - [ 0.0006943200000000, 0.0002845300000000, -0.0002851000000000 ] - [ -0.0003093500000000, -0.0004051900000000, -0.0003724800000000 ] - [ -0.0000360200000000, -0.0002088400000000, 0.0001406900000000 ] - [ -0.0001571700000000, 0.0000722900000000, -0.0002464300000000 ] - [ 0.0002848500000000, 0.0004169100000000, 0.0003380000000000 ] - [ 0.0001716100000000, -0.0003106900000000, 0.0000636000000000 ] - [ 0.0000332600000000, 0.0000511300000000, -0.0000656500000000 ] - [ 0.0000568200000000, -0.0000542700000000, -0.0000149500000000 ] - [ 0.0003050900000000, 0.0001572900000000, -0.0000407200000000 ] - [ -0.0001297300000000, -0.0003939700000000, -0.0002427800000000 ] - [ -0.0000437100000000, 0.0000336000000000, 0.0000754300000000 ] - [ -0.0001636900000000, -0.0000223400000000, -0.0000730100000000 ] - [ 0.0003059900000000, -0.0004203100000000, 0.0003542100000000 ] - [ -0.0000539200000000, 0.0000049500000000, 0.0002474500000000 ] - [ -0.0003374700000000, -0.0001580000000000, 0.0000867900000000 ] - [ 0.0006271300000000, -0.0000172000000000, -0.0001340800000000 ] - [ -0.0004674400000000, -0.0003266100000000, 0.0003705100000000 ] - [ -0.0006902800000000, -0.0005299300000000, 0.0003248900000000 ] - [ -0.0000405300000000, 0.0007125700000000, -0.0003820400000000 ] - [ 0.0010823500000000, -0.0000364500000000, 0.0003631100000000 ] - [ -0.0002474200000000, -0.0003032500000000, 0.0003859200000000 ] - [ 0.0002560700000000, -0.0003103000000000, 0.0001593200000000 ] - [ 0.0000335200000000, 0.0007994300000000, 0.0000607400000000 ] - [ 0.0007029600000000, 0.0001222200000000, -0.0001520900000000 ] - [ 0.0001770400000000, 0.0003010100000000, 0.0000562000000000 ] - [ -0.0005845200000000, 0.0019295000000000, -0.0011080100000000 ] - [ 0.0004555200000000, 0.0000419800000000, 0.0002637700000000 ] - [ 0.0009626800000000, -0.0001557300000000, 0.0005867800000000 ] - [ -0.0004314900000000, -0.0000293400000000, -0.0002031000000000 ] - [ -0.0006394600000000, 0.0000052700000000, 0.0001896100000000 ] - [ -0.0001049800000000, 0.0003644500000000, -0.0001918000000000 ] - [ -0.0002790200000000, 0.0002566900000000, 0.0000923900000000 ] - [ -0.0002053500000000, -0.0002853000000000, 0.0000010600000000 ] - [ -0.0000419500000000, -0.0000438500000000, 0.0006430000000000 ] - [ -0.0004193100000000, 0.0000405000000000, -0.0002314900000000 ] - [ 0.0005182200000000, 0.0003054200000000, -0.0000759400000000 ] - [ 0.0004154400000000, -0.0001638400000000, 0.0005281700000000 ] - [ -0.0005063100000000, -0.0001399900000000, 0.0001338400000000 ] - [ 0.0006084000000000, -0.0000845500000000, 0.0004404300000000 ]- atom: 12 displacement: [ 0.0099986890339478, 0.0000000000000000, -0.0001619185054627 ] forces: - [ -0.0000500200000000, -0.0000751500000000, -0.0000209300000000 ] - [ 0.0000478600000000, 0.0000109400000000, 0.0000189400000000 ] - [ 0.0000438800000000, -0.0000780800000000, 0.0000601200000000 ] - [ 0.0075378700000000, 0.0004186800000000, -0.0030761500000000 ] - [ -0.0000975500000000, 0.0000192200000000, 0.0003226100000000 ] - [ 0.0001493900000000, 0.0000387600000000, -0.0003773800000000 ] - [ 0.0004008200000000, -0.0002125800000000, 0.0007695000000000 ] - [ 0.0022348700000000, 0.0004582200000000, 0.0007586800000000 ] - [ -0.0002225900000000, 0.0002187400000000, -0.0000119800000000 ] - [ -0.0001507600000000, -0.0002286500000000, 0.0000773500000000 ] - [ 0.0006258600000000, 0.0002661700000000, 0.0014250000000000 ] - [ -0.1117852000000000, 0.0254045200000000, 0.0365340100000000 ] - [ 0.0003228400000000, 0.0007677900000000, 0.0010115000000000 ] - [ 0.0000552300000000, -0.0001197300000000, -0.0001241200000000 ] - [ 0.0003662800000000, 0.0005373500000000, 0.0004162700000000 ] - [ 0.0000925800000000, 0.0000458700000000, 0.0002312300000000 ] - [ 0.0001957800000000, -0.0003905200000000, 0.0002155400000000 ] - [ 0.0462322400000000, 0.0300591200000000, -0.0314575700000000 ] - [ -0.0000972100000000, -0.0004082600000000, -0.0005850100000000 ] - [ 0.0000092900000000, -0.0002590500000000, 0.0006979000000000 ] - [ 0.0718205200000000, -0.0394674000000000, 0.0104430700000000 ] - [ 0.0004115000000000, -0.0002558100000000, -0.0002097800000000 ] - [ 0.0003630900000000, 0.0028055600000000, 0.0005475200000000 ] - [ 0.0000377800000000, -0.0000152300000000, -0.0002269300000000 ] - [ -0.0002073600000000, -0.0002600500000000, -0.0001882400000000 ] - [ -0.0000756800000000, -0.0001919400000000, -0.0003447400000000 ] - [ -0.0003014800000000, -0.0004322200000000, -0.0003520200000000 ] - [ -0.0000439800000000, -0.0001947200000000, 0.0001509900000000 ] - [ -0.0004794500000000, 0.0002661900000000, -0.0002557200000000 ] - [ -0.0090293100000000, -0.0100753800000000, -0.0098088800000000 ] - [ -0.0000379600000000, -0.0002468000000000, 0.0004021400000000 ] - [ 0.0000368200000000, 0.0000191500000000, -0.0001924100000000 ] - [ -0.0077922300000000, -0.0078036000000000, -0.0062162800000000 ] - [ 0.0002782600000000, 0.0001327400000000, -0.0002060500000000 ] - [ -0.0000815500000000, -0.0003756900000000, -0.0001786000000000 ] - [ -0.0001229500000000, 0.0000989500000000, -0.0000441200000000 ] - [ -0.0002892700000000, -0.0002162400000000, 0.0002452100000000 ] - [ 0.0003097800000000, -0.0004446700000000, 0.0003773800000000 ] - [ -0.0000914300000000, 0.0000121100000000, 0.0001907000000000 ] - [ -0.0004614100000000, 0.0005858200000000, 0.0012022600000000 ] - [ -0.0003251700000000, 0.0001379900000000, 0.0000690500000000 ] - [ -0.0001997600000000, -0.0003023500000000, -0.0000621100000000 ] - [ 0.0000156300000000, 0.0003196200000000, -0.0006961500000000 ] - [ -0.0001117100000000, -0.0000140500000000, 0.0002094800000000 ] - [ 0.0008914900000000, -0.0003477500000000, 0.0002692400000000 ] - [ 0.0000191600000000, -0.0001812600000000, -0.0001263500000000 ] - [ 0.0003865700000000, 0.0006362900000000, 0.0003355000000000 ] - [ 0.0003299500000000, -0.0000016000000000, -0.0003463800000000 ] - [ 0.0001191000000000, -0.0003782200000000, 0.0002640500000000 ] - [ -0.0001034100000000, 0.0003820700000000, -0.0002164000000000 ] - [ -0.0000116800000000, -0.0003069000000000, -0.0007367200000000 ] - [ -0.0000150000000000, -0.0003351800000000, 0.0007500800000000 ] - [ 0.0000668300000000, 0.0001725300000000, -0.0001571500000000 ] - [ 0.0002276200000000, -0.0002766300000000, -0.0002269500000000 ] - [ 0.0001752500000000, 0.0003318800000000, 0.0000252200000000 ] - [ 0.0001049200000000, -0.0000179500000000, -0.0002919000000000 ] - [ -0.0000183400000000, 0.0004608900000000, 0.0000358200000000 ] - [ -0.0000307600000000, -0.0000816200000000, -0.0001196300000000 ] - [ -0.0002829200000000, -0.0003905200000000, -0.0003511300000000 ] - [ -0.0000297900000000, -0.0001964300000000, 0.0002472100000000 ] - [ -0.0001606300000000, 0.0003359300000000, -0.0000281000000000 ] - [ 0.0002760000000000, 0.0004382000000000, 0.0003314400000000 ] - [ 0.0001751500000000, -0.0003176400000000, 0.0000499800000000 ] - [ 0.0000447200000000, 0.0000591500000000, -0.0000810100000000 ] - [ 0.0000412200000000, -0.0000558400000000, -0.0000027700000000 ] - [ 0.0003547600000000, 0.0001254600000000, -0.0000917600000000 ] - [ -0.0001242500000000, -0.0004017400000000, -0.0002063500000000 ] - [ -0.0000269300000000, 0.0000669600000000, 0.0000724000000000 ] - [ 0.0000270400000000, -0.0000800900000000, -0.0000654000000000 ] - [ 0.0003223700000000, -0.0004197900000000, 0.0003539300000000 ] - [ -0.0000428500000000, -0.0000000400000000, 0.0002490800000000 ] - [ -0.0003746800000000, -0.0001735300000000, 0.0000937700000000 ] - [ 0.0005590000000000, -0.0000864800000000, -0.0000571900000000 ] - [ -0.0010807800000000, -0.0006092900000000, -0.0008371000000000 ] - [ -0.0009806400000000, -0.0002883300000000, 0.0002827900000000 ] - [ -0.0000110900000000, 0.0005328700000000, -0.0008179600000000 ] - [ 0.0004981000000000, -0.0000407600000000, 0.0001433500000000 ] - [ -0.0002677100000000, -0.0004161700000000, -0.0004943000000000 ] - [ 0.0002373700000000, -0.0002727700000000, -0.0000345900000000 ] - [ -0.0006979000000000, -0.0000311000000000, -0.0003078600000000 ] - [ 0.0006570600000000, 0.0000152200000000, -0.0002284800000000 ] - [ 0.0001337300000000, 0.0003012400000000, 0.0001116700000000 ] - [ -0.0007780000000000, 0.0000933700000000, 0.0001027700000000 ] - [ 0.0004375600000000, 0.0000578000000000, 0.0003310900000000 ] - [ 0.0001188100000000, 0.0003482400000000, -0.0003946700000000 ] - [ -0.0004708700000000, -0.0000298600000000, -0.0001732600000000 ] - [ -0.0006619900000000, 0.0000098800000000, 0.0002318500000000 ] - [ -0.0001837900000000, 0.0002978800000000, -0.0001457800000000 ] - [ 0.0004484200000000, 0.0000083600000000, 0.0000977000000000 ] - [ -0.0002076800000000, -0.0002707200000000, 0.0000915100000000 ] - [ 0.0001472100000000, -0.0002715900000000, -0.0000312000000000 ] - [ -0.0004567900000000, 0.0000333600000000, -0.0002734900000000 ] - [ 0.0005887300000000, -0.0000240200000000, -0.0002881600000000 ] - [ 0.0006982800000000, 0.0009835900000000, 0.0006720300000000 ] - [ -0.0006192700000000, -0.0000513700000000, 0.0000806600000000 ] - [ 0.0000172100000000, 0.0001087100000000, 0.0001676000000000 ]- atom: 12 displacement: [ -0.0099986890339478, 0.0000000000000000, 0.0001619185054627 ] forces: - [ 0.0000491400000000, -0.0000916900000000, 0.0000205200000000 ] - [ -0.0000463500000000, 0.0001575500000000, -0.0000180500000000 ] - [ -0.0000446900000000, -0.0000885900000000, -0.0000607000000000 ] - [ -0.0074769800000000, -0.0002706600000000, 0.0030201400000000 ] - [ 0.0000945500000000, -0.0000205500000000, -0.0003215300000000 ] - [ -0.0001485000000000, -0.0000399800000000, 0.0003758200000000 ] - [ -0.0003937600000000, 0.0002092200000000, -0.0007660400000000 ] - [ -0.0022384300000000, -0.0004361000000000, -0.0007403500000000 ] - [ -0.0004730900000000, 0.0000837400000000, 0.0001823000000000 ] - [ -0.0002057400000000, -0.0004090000000000, -0.0001687200000000 ] - [ -0.0006159000000000, 0.0004192400000000, -0.0028471900000000 ] - [ 0.1097410600000000, -0.0238658500000000, -0.0354120700000000 ] - [ -0.0003396400000000, -0.0001312200000000, 0.0004295800000000 ] - [ 0.0000328400000000, -0.0002428400000000, -0.0001736300000000 ] - [ -0.0001332800000000, 0.0002401800000000, 0.0000171300000000 ] - [ -0.0001868800000000, 0.0003191200000000, 0.0000612500000000 ] - [ 0.0000417100000000, -0.0003928800000000, 0.0002180300000000 ] - [ -0.0462361800000000, -0.0286381300000000, 0.0301362900000000 ] - [ 0.0000960900000000, -0.0002338000000000, -0.0008605600000000 ] - [ -0.0000147800000000, -0.0003777800000000, 0.0007425600000000 ] - [ -0.0700513200000000, 0.0377025600000000, -0.0105146100000000 ] - [ 0.0002955300000000, -0.0000484700000000, 0.0000358100000000 ] - [ 0.0000091100000000, -0.0021503000000000, -0.0004282400000000 ] - [ 0.0001010800000000, 0.0000162200000000, -0.0002375100000000 ] - [ -0.0001569500000000, 0.0009047400000000, 0.0000999500000000 ] - [ 0.0002131400000000, 0.0001913400000000, -0.0001143300000000 ] - [ -0.0002846600000000, -0.0004085400000000, -0.0003309300000000 ] - [ -0.0000464100000000, -0.0001692900000000, 0.0001480700000000 ] - [ -0.0000886500000000, 0.0005768600000000, -0.0004264600000000 ] - [ 0.0095254400000000, 0.0108325000000000, 0.0104777800000000 ] - [ 0.0003904600000000, -0.0003831200000000, -0.0003074800000000 ] - [ 0.0000386000000000, 0.0000925800000000, 0.0001093500000000 ] - [ 0.0078341500000000, 0.0076532000000000, 0.0061646200000000 ] - [ 0.0004229900000000, 0.0001707900000000, 0.0000368900000000 ] - [ -0.0001567600000000, -0.0004092000000000, -0.0002569600000000 ] - [ 0.0000478200000000, 0.0000164200000000, 0.0001262100000000 ] - [ 0.0002228100000000, 0.0001137900000000, -0.0001710200000000 ] - [ 0.0002777600000000, -0.0003961800000000, 0.0003092900000000 ] - [ -0.0000458900000000, -0.0000099200000000, 0.0002735100000000 ] - [ -0.0002580200000000, -0.0008974100000000, -0.0010292400000000 ] - [ -0.0003765100000000, 0.0001653900000000, 0.0000987100000000 ] - [ -0.0001550600000000, -0.0003362900000000, -0.0000304000000000 ] - [ -0.0000105400000000, 0.0003168800000000, -0.0007448200000000 ] - [ -0.0000261300000000, 0.0000123000000000, 0.0002561100000000 ] - [ -0.0008908100000000, 0.0009829500000000, 0.0011745600000000 ] - [ 0.0000693900000000, -0.0001832600000000, -0.0001727000000000 ] - [ -0.0001500900000000, 0.0001497900000000, 0.0000980500000000 ] - [ -0.0004008000000000, 0.0003603200000000, 0.0006385100000000 ] - [ 0.0001186300000000, -0.0004049200000000, 0.0001689600000000 ] - [ -0.0001334700000000, 0.0004013300000000, -0.0002167700000000 ] - [ 0.0000165000000000, -0.0003291600000000, -0.0007041300000000 ] - [ 0.0000101600000000, -0.0003015400000000, 0.0006908900000000 ] - [ 0.0000225900000000, 0.0001925500000000, -0.0001416500000000 ] - [ 0.0004715300000000, -0.0000285000000000, 0.0000540800000000 ] - [ 0.0001805200000000, 0.0003068200000000, 0.0000672000000000 ] - [ 0.0000332100000000, 0.0000200300000000, -0.0001725600000000 ] - [ -0.0003386500000000, 0.0001788700000000, -0.0001287800000000 ] - [ 0.0001659600000000, 0.0000766500000000, -0.0003467300000000 ] - [ -0.0003031000000000, -0.0004506600000000, -0.0003318300000000 ] - [ -0.0000590200000000, -0.0001678500000000, 0.0000518600000000 ] - [ -0.0004261900000000, 0.0005061100000000, -0.0006537300000000 ] - [ 0.0003102100000000, 0.0004014500000000, 0.0003519600000000 ] - [ 0.0001800700000000, -0.0003210700000000, 0.0000430000000000 ] - [ 0.0000292300000000, 0.0000551900000000, -0.0000028500000000 ] - [ 0.0000326400000000, -0.0000586500000000, -0.0000809300000000 ] - [ 0.0003466500000000, 0.0001777500000000, -0.0000758100000000 ] - [ -0.0001127000000000, -0.0003819200000000, -0.0002274300000000 ] - [ -0.0000470700000000, 0.0000476100000000, 0.0000110800000000 ] - [ -0.0001012700000000, -0.0000349100000000, 0.0001507400000000 ] - [ 0.0002640400000000, -0.0004203500000000, 0.0003295000000000 ] - [ -0.0000947900000000, 0.0000018700000000, 0.0002157000000000 ] - [ -0.0003264000000000, -0.0001303600000000, 0.0000734100000000 ] - [ 0.0007051500000000, 0.0000464000000000, -0.0002607600000000 ] - [ 0.0002032500000000, 0.0005327500000000, 0.0003884700000000 ] - [ -0.0002834600000000, 0.0003291000000000, 0.0000317800000000 ] - [ -0.0003739500000000, 0.0000527200000000, 0.0007284500000000 ] - [ 0.0003949100000000, -0.0000226600000000, 0.0002985800000000 ] - [ -0.0001210200000000, -0.0001683600000000, 0.0004169000000000 ] - [ 0.0001518300000000, -0.0003101100000000, 0.0001183900000000 ] - [ -0.0001992500000000, 0.0000933100000000, -0.0001339000000000 ] - [ 0.0006072800000000, 0.0000251100000000, -0.0000902500000000 ] - [ 0.0002552200000000, 0.0002825000000000, -0.0000319900000000 ] - [ -0.0004885700000000, -0.0001327600000000, 0.0002170400000000 ] - [ 0.0004535200000000, 0.0000084200000000, 0.0001117800000000 ] - [ 0.0011455000000000, -0.0003908100000000, 0.0000771700000000 ] - [ -0.0004204900000000, -0.0000359100000000, -0.0002686200000000 ] - [ -0.0006023200000000, 0.0000301400000000, 0.0000868100000000 ] - [ -0.0002038300000000, 0.0002853200000000, 0.0000646500000000 ] - [ 0.0004449600000000, -0.0000710900000000, 0.0003446500000000 ] - [ -0.0001814200000000, -0.0003128200000000, -0.0001715400000000 ] - [ 0.0002416400000000, -0.0003103400000000, 0.0001097500000000 ] - [ -0.0004356000000000, 0.0000307200000000, -0.0001702800000000 ] - [ 0.0006739400000000, 0.0000659800000000, -0.0000306200000000 ] - [ -0.0002874000000000, -0.0003863300000000, -0.0005906800000000 ] - [ -0.0006439400000000, 0.0000098900000000, 0.0002375300000000 ] - [ 0.0008739000000000, -0.0000441200000000, 0.0002739800000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000192000000000, -0.0000834100000000, 0.0000146200000000 ] - [ -0.0001002100000000, 0.0000758300000000, -0.0000713500000000 ] - [ 0.0000385500000000, -0.0000861500000000, -0.0000153200000000 ] - [ -0.0009332700000000, -0.0034449100000000, 0.0022120600000000 ] - [ -0.0000134700000000, 0.0000489700000000, -0.0001004300000000 ] - [ -0.0002319500000000, -0.0000135500000000, 0.0000738200000000 ] - [ 0.0001706300000000, -0.0002035800000000, -0.0001460200000000 ] - [ 0.0016285700000000, 0.0000773200000000, 0.0001918300000000 ] - [ -0.0004958800000000, 0.0001336900000000, 0.0001161800000000 ] - [ -0.0001278700000000, -0.0003415500000000, -0.0001230500000000 ] - [ 0.0004353600000000, 0.0009931500000000, -0.0019735500000000 ] - [ 0.0236134900000000, -0.0903099800000000, 0.0318400000000000 ] - [ 0.0000567500000000, 0.0000712500000000, 0.0001949900000000 ] - [ 0.0000344400000000, -0.0001951800000000, -0.0001587600000000 ] - [ 0.0001552000000000, 0.0004686600000000, 0.0002115500000000 ] - [ -0.0004386000000000, -0.0000774000000000, 0.0002126200000000 ] - [ 0.0002166700000000, -0.0004436600000000, 0.0001646400000000 ] - [ 0.0281718300000000, 0.0396927900000000, -0.0191816600000000 ] - [ 0.0000721300000000, -0.0002615900000000, -0.0006651500000000 ] - [ -0.0000127900000000, -0.0003092100000000, 0.0006973500000000 ] - [ -0.0414550700000000, 0.0373303900000000, -0.0130663600000000 ] - [ 0.0000864700000000, 0.0002220300000000, 0.0001497400000000 ] - [ 0.0005505400000000, -0.0006073200000000, 0.0038350800000000 ] - [ 0.0000524800000000, -0.0000202300000000, -0.0002312800000000 ] - [ -0.0001573100000000, 0.0006616400000000, -0.0000325200000000 ] - [ 0.0002629300000000, -0.0000238400000000, -0.0002588900000000 ] - [ -0.0002912100000000, -0.0004012500000000, -0.0003228700000000 ] - [ -0.0000401600000000, -0.0001786000000000, 0.0001541800000000 ] - [ -0.0006047000000000, 0.0009914400000000, -0.0002938500000000 ] - [ -0.0003426800000000, 0.0203147600000000, 0.0089859000000000 ] - [ 0.0002957500000000, -0.0004186300000000, -0.0002219000000000 ] - [ 0.0000387300000000, 0.0002446200000000, -0.0000002700000000 ] - [ -0.0096201000000000, -0.0039602900000000, -0.0125404400000000 ] - [ 0.0003643800000000, 0.0000454600000000, -0.0000326900000000 ] - [ -0.0000943400000000, -0.0004023800000000, -0.0001606900000000 ] - [ -0.0002612800000000, 0.0001999000000000, 0.0000289100000000 ] - [ -0.0001587600000000, -0.0001781900000000, 0.0002541500000000 ] - [ 0.0002797800000000, -0.0004013000000000, 0.0002681700000000 ] - [ -0.0000799500000000, 0.0000009700000000, 0.0002230900000000 ] - [ -0.0008946200000000, -0.0005063700000000, -0.0012163200000000 ] - [ -0.0003479100000000, 0.0001469300000000, 0.0000698700000000 ] - [ -0.0001672500000000, -0.0003115200000000, -0.0000263900000000 ] - [ 0.0000170600000000, 0.0003416500000000, -0.0007323000000000 ] - [ -0.0000816800000000, 0.0000182700000000, 0.0002390700000000 ] - [ 0.0000922100000000, 0.0002375300000000, 0.0010280900000000 ] - [ 0.0000393100000000, -0.0001773400000000, -0.0001494400000000 ] - [ -0.0003785300000000, 0.0003807900000000, 0.0000423500000000 ] - [ 0.0005219500000000, 0.0003015300000000, -0.0002526000000000 ] - [ 0.0001375800000000, -0.0003904800000000, 0.0002123500000000 ] - [ -0.0001217400000000, 0.0003877700000000, -0.0002217100000000 ] - [ -0.0000041200000000, -0.0003249600000000, -0.0007180700000000 ] - [ 0.0000109200000000, -0.0003189300000000, 0.0007352700000000 ] - [ 0.0000447800000000, 0.0001878800000000, -0.0001491000000000 ] - [ 0.0003149400000000, -0.0001599000000000, -0.0002401300000000 ] - [ 0.0001932600000000, 0.0003120600000000, 0.0000565800000000 ] - [ 0.0000498700000000, 0.0000017600000000, -0.0002343000000000 ] - [ -0.0000973300000000, 0.0003275300000000, 0.0000755400000000 ] - [ 0.0001453600000000, -0.0002659400000000, -0.0002507300000000 ] - [ -0.0003031600000000, -0.0004322000000000, -0.0003519100000000 ] - [ -0.0000453000000000, -0.0001840600000000, 0.0001139200000000 ] - [ -0.0001673000000000, 0.0005363900000000, -0.0004066600000000 ] - [ 0.0003003900000000, 0.0004038100000000, 0.0003452200000000 ] - [ 0.0001721200000000, -0.0003114100000000, 0.0000698500000000 ] - [ 0.0000256900000000, 0.0000526700000000, -0.0000747200000000 ] - [ 0.0000253000000000, -0.0000543100000000, -0.0000477900000000 ] - [ 0.0003382500000000, 0.0001521200000000, -0.0000831500000000 ] - [ -0.0001074700000000, -0.0003880200000000, -0.0002215400000000 ] - [ -0.0000465800000000, 0.0000538500000000, 0.0000419200000000 ] - [ -0.0000620200000000, -0.0001487000000000, 0.0001957000000000 ] - [ 0.0002968000000000, -0.0004159000000000, 0.0003464100000000 ] - [ -0.0000674900000000, 0.0000035800000000, 0.0002415200000000 ] - [ -0.0003623200000000, -0.0001453000000000, 0.0000790000000000 ] - [ 0.0006958000000000, 0.0000109500000000, -0.0001761100000000 ] - [ -0.0011285900000000, 0.0011175400000000, 0.0000924200000000 ] - [ -0.0008459600000000, 0.0001890500000000, 0.0002797300000000 ] - [ -0.0003515100000000, 0.0002223500000000, 0.0001650000000000 ] - [ 0.0004079100000000, -0.0000769800000000, 0.0002301900000000 ] - [ -0.0003314000000000, -0.0003397700000000, -0.0001003800000000 ] - [ 0.0001988100000000, -0.0002988300000000, 0.0000515000000000 ] - [ -0.0003869700000000, 0.0000098500000000, -0.0002631600000000 ] - [ 0.0006454700000000, 0.0000056000000000, -0.0001353500000000 ] - [ 0.0002567400000000, 0.0002829100000000, 0.0000158400000000 ] - [ -0.0007839800000000, 0.0000404600000000, 0.0003106300000000 ] - [ 0.0004984400000000, 0.0000175800000000, 0.0001933600000000 ] - [ 0.0005480900000000, -0.0005888200000000, 0.0000363000000000 ] - [ -0.0003678100000000, -0.0000402600000000, -0.0002121200000000 ] - [ -0.0005898500000000, 0.0000284800000000, 0.0001437100000000 ] - [ -0.0001686800000000, 0.0002743000000000, 0.0000127200000000 ] - [ 0.0003518500000000, -0.0000293700000000, 0.0001967000000000 ] - [ -0.0001597800000000, -0.0002948800000000, -0.0000653500000000 ] - [ 0.0001686700000000, -0.0002690800000000, 0.0000585800000000 ] - [ -0.0004252900000000, 0.0000334200000000, -0.0002067900000000 ] - [ 0.0006022800000000, 0.0000681200000000, -0.0001704800000000 ] - [ 0.0008708600000000, 0.0011469500000000, 0.0003535300000000 ] - [ -0.0006252300000000, -0.0000227500000000, 0.0001746200000000 ] - [ 0.0004032900000000, -0.0000082600000000, 0.0002672500000000 ]- atom: 12 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000214300000000, -0.0000837700000000, -0.0000134600000000 ] - [ 0.0001005400000000, 0.0000908700000000, 0.0000708300000000 ] - [ -0.0000392800000000, -0.0000802800000000, 0.0000157900000000 ] - [ 0.0008896600000000, 0.0036349400000000, -0.0022163100000000 ] - [ 0.0000185300000000, -0.0000480100000000, 0.0000977300000000 ] - [ 0.0002333900000000, 0.0000134000000000, -0.0000691800000000 ] - [ -0.0001863200000000, 0.0002037400000000, 0.0001555700000000 ] - [ -0.0015964900000000, -0.0000456000000000, -0.0001894600000000 ] - [ -0.0002042500000000, 0.0001712700000000, 0.0000551300000000 ] - [ -0.0002269700000000, -0.0002964100000000, 0.0000219100000000 ] - [ -0.0004356300000000, -0.0004433400000000, 0.0005218100000000 ] - [ -0.0266764600000000, 0.0918564800000000, -0.0305497900000000 ] - [ -0.0000516300000000, 0.0005643800000000, 0.0012421800000000 ] - [ 0.0000539500000000, -0.0001677800000000, -0.0001406500000000 ] - [ 0.0000804700000000, 0.0003156800000000, 0.0002210800000000 ] - [ 0.0003508300000000, 0.0004358300000000, 0.0000910000000000 ] - [ 0.0000219500000000, -0.0003414200000000, 0.0002661700000000 ] - [ -0.0276976900000000, -0.0382560800000000, 0.0175321100000000 ] - [ -0.0000711800000000, -0.0003783700000000, -0.0007757400000000 ] - [ 0.0000088200000000, -0.0003273500000000, 0.0007434700000000 ] - [ 0.0436044000000000, -0.0390948100000000, 0.0132456000000000 ] - [ 0.0006055200000000, -0.0005117600000000, -0.0003043900000000 ] - [ -0.0002201200000000, 0.0012431200000000, -0.0036963900000000 ] - [ 0.0000845500000000, 0.0000217800000000, -0.0002346200000000 ] - [ -0.0002026800000000, -0.0000273000000000, -0.0000593200000000 ] - [ -0.0001190400000000, 0.0000226900000000, -0.0002056300000000 ] - [ -0.0002963800000000, -0.0004383600000000, -0.0003595800000000 ] - [ -0.0000473700000000, -0.0001853700000000, 0.0001446100000000 ] - [ 0.0000005500000000, -0.0001501100000000, -0.0003973100000000 ] - [ 0.0011873000000000, -0.0196502500000000, -0.0083308100000000 ] - [ 0.0000605400000000, -0.0002153300000000, 0.0003147900000000 ] - [ 0.0000340300000000, -0.0001317300000000, -0.0000835500000000 ] - [ 0.0096271400000000, 0.0039536400000000, 0.0123397900000000 ] - [ 0.0003370200000000, 0.0002529500000000, -0.0001332800000000 ] - [ -0.0001433200000000, -0.0003807500000000, -0.0002727200000000 ] - [ 0.0001829700000000, -0.0000815600000000, 0.0000586100000000 ] - [ 0.0000854300000000, 0.0000622400000000, -0.0001677300000000 ] - [ 0.0003070400000000, -0.0004394900000000, 0.0004166400000000 ] - [ -0.0000580900000000, 0.0000011800000000, 0.0002411900000000 ] - [ 0.0002169200000000, 0.0002384900000000, 0.0013918600000000 ] - [ -0.0003541500000000, 0.0001569300000000, 0.0000985000000000 ] - [ -0.0001875600000000, -0.0003270900000000, -0.0000666700000000 ] - [ -0.0000122400000000, 0.0002946100000000, -0.0007101600000000 ] - [ -0.0000559300000000, -0.0000205700000000, 0.0002262500000000 ] - [ -0.0001096100000000, 0.0004120000000000, 0.0004106200000000 ] - [ 0.0000493800000000, -0.0001872500000000, -0.0001504300000000 ] - [ 0.0006225900000000, 0.0004120200000000, 0.0003922200000000 ] - [ -0.0006003700000000, 0.0000446800000000, 0.0005522600000000 ] - [ 0.0001010000000000, -0.0003923300000000, 0.0002212400000000 ] - [ -0.0001159100000000, 0.0003960100000000, -0.0002117900000000 ] - [ 0.0000087700000000, -0.0003109000000000, -0.0007227200000000 ] - [ -0.0000158100000000, -0.0003173900000000, 0.0007067000000000 ] - [ 0.0000437700000000, 0.0001772300000000, -0.0001491500000000 ] - [ 0.0003876000000000, -0.0001435000000000, 0.0000728400000000 ] - [ 0.0001618800000000, 0.0003261800000000, 0.0000358800000000 ] - [ 0.0000885300000000, 0.0000005700000000, -0.0002295300000000 ] - [ -0.0002606600000000, 0.0003095500000000, -0.0001725700000000 ] - [ -0.0000117700000000, 0.0002655800000000, -0.0002157700000000 ] - [ -0.0002824200000000, -0.0004087100000000, -0.0003303900000000 ] - [ -0.0000432300000000, -0.0001807400000000, 0.0001852900000000 ] - [ -0.0004152800000000, 0.0003032500000000, -0.0002822600000000 ] - [ 0.0002861200000000, 0.0004354400000000, 0.0003382000000000 ] - [ 0.0001822800000000, -0.0003270300000000, 0.0000224500000000 ] - [ 0.0000485500000000, 0.0000617500000000, -0.0000079900000000 ] - [ 0.0000490200000000, -0.0000606100000000, -0.0000359700000000 ] - [ 0.0003635600000000, 0.0001513500000000, -0.0000845900000000 ] - [ -0.0001301700000000, -0.0003956400000000, -0.0002123300000000 ] - [ -0.0000273700000000, 0.0000607600000000, 0.0000414600000000 ] - [ -0.0000115500000000, 0.0000345200000000, -0.0001111500000000 ] - [ 0.0002887400000000, -0.0004243200000000, 0.0003362000000000 ] - [ -0.0000704800000000, -0.0000011600000000, 0.0002223200000000 ] - [ -0.0003392600000000, -0.0001586800000000, 0.0000883600000000 ] - [ 0.0005685200000000, -0.0000523500000000, -0.0001425900000000 ] - [ 0.0002225700000000, -0.0011630400000000, -0.0005140600000000 ] - [ -0.0004314700000000, -0.0001573300000000, 0.0000221500000000 ] - [ -0.0000267600000000, 0.0003588600000000, -0.0002538500000000 ] - [ 0.0004852700000000, 0.0000123300000000, 0.0002146400000000 ] - [ -0.0000590200000000, -0.0002483600000000, 0.0000166600000000 ] - [ 0.0001884000000000, -0.0002851100000000, 0.0000337600000000 ] - [ -0.0005051900000000, 0.0000537600000000, -0.0001835500000000 ] - [ 0.0006179300000000, 0.0000354600000000, -0.0001818600000000 ] - [ 0.0001315200000000, 0.0003012100000000, 0.0000644800000000 ] - [ -0.0004774400000000, -0.0000793800000000, 0.0000062600000000 ] - [ 0.0003962200000000, 0.0000482700000000, 0.0002500200000000 ] - [ 0.0007162600000000, 0.0005318100000000, -0.0003472800000000 ] - [ -0.0005281900000000, -0.0000252900000000, -0.0002328400000000 ] - [ -0.0006750200000000, 0.0000133800000000, 0.0001733700000000 ] - [ -0.0002190200000000, 0.0003086900000000, -0.0000940900000000 ] - [ 0.0005473900000000, -0.0000336300000000, 0.0002484100000000 ] - [ -0.0002295100000000, -0.0002897700000000, -0.0000188400000000 ] - [ 0.0002212400000000, -0.0003136600000000, 0.0000213300000000 ] - [ -0.0004711300000000, 0.0000303300000000, -0.0002379000000000 ] - [ 0.0006642300000000, -0.0000302500000000, -0.0001486100000000 ] - [ -0.0004666300000000, -0.0005624400000000, -0.0002625600000000 ] - [ -0.0006398600000000, -0.0000175700000000, 0.0001439900000000 ] - [ 0.0004915800000000, 0.0000701000000000, 0.0001776900000000 ]- atom: 12 displacement: [ -0.0020666810454366, 0.0000000000000000, 0.0097841110713459 ] forces: - [ -0.0000992900000000, -0.0000783900000000, -0.0000313000000000 ] - [ -0.0000112900000000, 0.0001049100000000, -0.0000107400000000 ] - [ 0.0001140200000000, -0.0001010900000000, -0.0000243600000000 ] - [ -0.0064892000000000, 0.0019371600000000, 0.0002115200000000 ] - [ -0.0002876500000000, -0.0000475800000000, 0.0001288000000000 ] - [ -0.0002228300000000, -0.0000402700000000, -0.0001817500000000 ] - [ 0.0006236900000000, 0.0001032200000000, 0.0004879300000000 ] - [ 0.0006009500000000, 0.0000311900000000, -0.0013111800000000 ] - [ -0.0007039300000000, 0.0001520800000000, -0.0002027100000000 ] - [ -0.0001902400000000, -0.0002293500000000, -0.0000849000000000 ] - [ -0.0007081600000000, 0.0048024300000000, -0.0020817200000000 ] - [ 0.0560603000000000, 0.0240599200000000, -0.0776018900000000 ] - [ 0.0000965300000000, 0.0001003800000000, 0.0001014700000000 ] - [ 0.0000753100000000, -0.0003067400000000, -0.0001463300000000 ] - [ 0.0001127800000000, 0.0003024100000000, 0.0001648500000000 ] - [ 0.0000263800000000, 0.0001562400000000, 0.0003001400000000 ] - [ 0.0001132600000000, -0.0004179200000000, 0.0002487000000000 ] - [ -0.0412093500000000, -0.0369953900000000, 0.0426552200000000 ] - [ 0.0003362800000000, -0.0000535500000000, -0.0005254200000000 ] - [ -0.0000179200000000, -0.0002831200000000, 0.0006916100000000 ] - [ -0.0096086600000000, 0.0079255800000000, 0.0119776900000000 ] - [ 0.0003035700000000, -0.0004298700000000, -0.0000199700000000 ] - [ 0.0010293000000000, -0.0029604600000000, 0.0011127800000000 ] - [ 0.0000833000000000, 0.0000057800000000, -0.0001409800000000 ] - [ -0.0000921600000000, 0.0008952100000000, -0.0000792900000000 ] - [ -0.0000104200000000, 0.0000637600000000, -0.0001272600000000 ] - [ -0.0002727300000000, -0.0004323800000000, -0.0003236800000000 ] - [ -0.0000777100000000, -0.0001842000000000, 0.0001558500000000 ] - [ -0.0002402600000000, 0.0002496000000000, -0.0000917400000000 ] - [ -0.0035655600000000, 0.0017370100000000, 0.0015473300000000 ] - [ 0.0004337100000000, -0.0007341400000000, -0.0001246700000000 ] - [ -0.0000420400000000, 0.0001940100000000, -0.0000696500000000 ] - [ 0.0045530500000000, 0.0022972700000000, 0.0224955700000000 ] - [ 0.0003134000000000, 0.0002420500000000, -0.0001802400000000 ] - [ -0.0000533700000000, -0.0003537400000000, -0.0001786600000000 ] - [ 0.0000195400000000, 0.0000370600000000, -0.0000370600000000 ] - [ 0.0001033000000000, 0.0001095000000000, 0.0001333300000000 ] - [ 0.0001991100000000, -0.0003844400000000, 0.0001333500000000 ] - [ -0.0001065300000000, 0.0000076200000000, 0.0002211400000000 ] - [ -0.0010449200000000, -0.0024558100000000, -0.0020381700000000 ] - [ -0.0003498100000000, 0.0001385100000000, 0.0000680600000000 ] - [ -0.0001595800000000, -0.0003111700000000, -0.0000294600000000 ] - [ 0.0000046900000000, 0.0003335100000000, -0.0007116800000000 ] - [ -0.0000843300000000, 0.0000082900000000, 0.0002329000000000 ] - [ -0.0003178800000000, 0.0006456500000000, 0.0008408600000000 ] - [ 0.0000239100000000, -0.0001814700000000, -0.0001436100000000 ] - [ 0.0000716600000000, 0.0001413500000000, 0.0002914500000000 ] - [ -0.0000845200000000, 0.0002787400000000, 0.0006186100000000 ] - [ 0.0001433100000000, -0.0003984800000000, 0.0001879100000000 ] - [ -0.0001218200000000, 0.0003802500000000, -0.0002163900000000 ] - [ -0.0000083600000000, -0.0003320000000000, -0.0007351000000000 ] - [ 0.0000449000000000, -0.0003202000000000, 0.0007253700000000 ] - [ 0.0000564600000000, 0.0001937200000000, -0.0001810700000000 ] - [ 0.0003570700000000, -0.0001510400000000, -0.0000743600000000 ] - [ 0.0001851800000000, 0.0003166200000000, 0.0000576800000000 ] - [ 0.0000042500000000, 0.0000024100000000, -0.0002329200000000 ] - [ -0.0003479400000000, 0.0003182800000000, -0.0001631500000000 ] - [ 0.0002000300000000, 0.0000322500000000, -0.0003134600000000 ] - [ -0.0003412500000000, -0.0004294300000000, -0.0003613800000000 ] - [ -0.0000098300000000, -0.0001815300000000, 0.0000711400000000 ] - [ -0.0003234200000000, 0.0004094300000000, -0.0004143500000000 ] - [ 0.0002882900000000, 0.0004015800000000, 0.0003336100000000 ] - [ 0.0001809300000000, -0.0003039200000000, 0.0000856500000000 ] - [ 0.0000276400000000, 0.0000564400000000, -0.0000777700000000 ] - [ 0.0000246400000000, -0.0000535700000000, -0.0000382100000000 ] - [ 0.0003223000000000, 0.0001524400000000, -0.0000635900000000 ] - [ -0.0001197900000000, -0.0003915200000000, -0.0002256400000000 ] - [ -0.0000512000000000, 0.0000457800000000, 0.0000541200000000 ] - [ -0.0000318300000000, -0.0000496900000000, -0.0000215200000000 ] - [ 0.0003134900000000, -0.0004089600000000, 0.0003589500000000 ] - [ -0.0000588100000000, -0.0000083100000000, 0.0002512300000000 ] - [ -0.0003645900000000, -0.0001551700000000, 0.0000866900000000 ] - [ 0.0006973200000000, 0.0000230700000000, -0.0001292300000000 ] - [ -0.0010163700000000, 0.0008264300000000, 0.0003721500000000 ] - [ -0.0001230900000000, 0.0002274100000000, 0.0014922900000000 ] - [ -0.0002127500000000, 0.0004407400000000, -0.0003506900000000 ] - [ 0.0005998600000000, 0.0000306800000000, 0.0002242200000000 ] - [ -0.0003606900000000, -0.0002527200000000, 0.0002559900000000 ] - [ 0.0002601500000000, -0.0002788100000000, 0.0000203900000000 ] - [ -0.0008623000000000, -0.0000406800000000, -0.0001882900000000 ] - [ 0.0006775600000000, 0.0000310300000000, -0.0001933400000000 ] - [ 0.0002193100000000, 0.0003016300000000, 0.0001031300000000 ] - [ -0.0006965300000000, -0.0000479800000000, 0.0000588100000000 ] - [ 0.0005121700000000, 0.0000230600000000, 0.0002643600000000 ] - [ 0.0006931800000000, -0.0007134900000000, 0.0002366100000000 ] - [ -0.0003727100000000, -0.0000353900000000, -0.0001803100000000 ] - [ -0.0005895400000000, 0.0000204000000000, 0.0001903800000000 ] - [ -0.0001579200000000, 0.0003162500000000, -0.0001133900000000 ] - [ 0.0004143000000000, -0.0000290000000000, 0.0001472600000000 ] - [ -0.0001480800000000, -0.0002807700000000, 0.0000055800000000 ] - [ 0.0001037200000000, -0.0003112900000000, 0.0000139800000000 ] - [ -0.0003994600000000, 0.0000413500000000, -0.0002334000000000 ] - [ 0.0005264100000000, 0.0000137300000000, -0.0002378100000000 ] - [ 0.0005669400000000, 0.0005932400000000, 0.0002917700000000 ] - [ -0.0005785800000000, -0.0000415900000000, 0.0001269500000000 ] - [ 0.0006297500000000, -0.0000620400000000, 0.0004084400000000 ]- atom: 12 displacement: [ 0.0020666810454366, 0.0000000000000000, -0.0097841110713459 ] forces: - [ 0.0000994100000000, -0.0000886600000000, 0.0000312500000000 ] - [ 0.0000130600000000, 0.0000620700000000, 0.0000111600000000 ] - [ -0.0001130900000000, -0.0000656300000000, 0.0000237800000000 ] - [ 0.0065144300000000, -0.0018002200000000, -0.0001748000000000 ] - [ 0.0002839100000000, 0.0000468000000000, -0.0001267800000000 ] - [ 0.0002261800000000, 0.0000400800000000, 0.0001788100000000 ] - [ -0.0006171300000000, -0.0001012200000000, -0.0004946900000000 ] - [ -0.0005938600000000, -0.0000344000000000, 0.0013137500000000 ] - [ -0.0000052600000000, 0.0001522100000000, 0.0003603800000000 ] - [ -0.0001664800000000, -0.0004115100000000, -0.0000105400000000 ] - [ 0.0006967000000000, -0.0041435400000000, 0.0006539400000000 ] - [ -0.0575932400000000, -0.0266163300000000, 0.0802259400000000 ] - [ -0.0000941700000000, 0.0005387200000000, 0.0013384600000000 ] - [ 0.0000136500000000, -0.0000612100000000, -0.0001548100000000 ] - [ 0.0001271500000000, 0.0004825100000000, 0.0002736900000000 ] - [ -0.0001142800000000, 0.0002079500000000, -0.0000001800000000 ] - [ 0.0001252200000000, -0.0003668300000000, 0.0001812900000000 ] - [ 0.0423639600000000, 0.0400051200000000, -0.0451697300000000 ] - [ -0.0003261400000000, -0.0005794300000000, -0.0009113600000000 ] - [ 0.0000137500000000, -0.0003539300000000, 0.0007496000000000 ] - [ 0.0095360100000000, -0.0073130100000000, -0.0122340400000000 ] - [ 0.0004057400000000, 0.0001108500000000, -0.0001538100000000 ] - [ -0.0006804100000000, 0.0036081500000000, -0.0010740300000000 ] - [ 0.0000564500000000, -0.0000037300000000, -0.0003231300000000 ] - [ -0.0002627000000000, -0.0002538400000000, -0.0000182100000000 ] - [ 0.0001514400000000, -0.0000680000000000, -0.0003367100000000 ] - [ -0.0003110200000000, -0.0004084100000000, -0.0003580100000000 ] - [ -0.0000108000000000, -0.0001808600000000, 0.0001443400000000 ] - [ -0.0003444400000000, 0.0005899500000000, -0.0005862400000000 ] - [ 0.0041409600000000, -0.0009241500000000, -0.0008179500000000 ] - [ -0.0000763300000000, 0.0000894600000000, 0.0002135000000000 ] - [ 0.0001141800000000, -0.0000745900000000, -0.0000151000000000 ] - [ -0.0043506300000000, -0.0022927300000000, -0.0227654200000000 ] - [ 0.0003910700000000, 0.0000611900000000, 0.0000134400000000 ] - [ -0.0001848600000000, -0.0004302100000000, -0.0002538900000000 ] - [ -0.0000910600000000, 0.0000784700000000, 0.0001239700000000 ] - [ -0.0001734800000000, -0.0002188800000000, -0.0000432200000000 ] - [ 0.0003822200000000, -0.0004546100000000, 0.0005457400000000 ] - [ -0.0000340200000000, -0.0000050200000000, 0.0002425400000000 ] - [ 0.0003470700000000, 0.0021391200000000, 0.0022142700000000 ] - [ -0.0003536600000000, 0.0001655700000000, 0.0000999800000000 ] - [ -0.0001942200000000, -0.0003274700000000, -0.0000634900000000 ] - [ -0.0000000700000000, 0.0003019500000000, -0.0007289700000000 ] - [ -0.0000561500000000, -0.0000100400000000, 0.0002316300000000 ] - [ 0.0003115400000000, -0.0000104300000000, 0.0006008400000000 ] - [ 0.0000642200000000, -0.0001838500000000, -0.0001574000000000 ] - [ 0.0001618800000000, 0.0006465100000000, 0.0001375500000000 ] - [ -0.0000019800000000, 0.0000862400000000, -0.0003260400000000 ] - [ 0.0000967900000000, -0.0003852100000000, 0.0002448700000000 ] - [ -0.0001174100000000, 0.0004041700000000, -0.0002164300000000 ] - [ 0.0000127000000000, -0.0003036500000000, -0.0007054900000000 ] - [ -0.0000485800000000, -0.0003159800000000, 0.0007149300000000 ] - [ 0.0000327400000000, 0.0001721000000000, -0.0001193200000000 ] - [ 0.0003472800000000, -0.0001524400000000, -0.0000969300000000 ] - [ 0.0001693800000000, 0.0003223200000000, 0.0000342400000000 ] - [ 0.0001354800000000, -0.0000003200000000, -0.0002303800000000 ] - [ -0.0000061100000000, 0.0003208500000000, 0.0000709400000000 ] - [ -0.0000607300000000, -0.0000349100000000, -0.0001507500000000 ] - [ -0.0002422800000000, -0.0004112800000000, -0.0003205900000000 ] - [ -0.0000782400000000, -0.0001833600000000, 0.0002289700000000 ] - [ -0.0002592800000000, 0.0004314700000000, -0.0002652500000000 ] - [ 0.0002951400000000, 0.0004380900000000, 0.0003488000000000 ] - [ 0.0001734000000000, -0.0003346900000000, 0.0000066800000000 ] - [ 0.0000445300000000, 0.0000580300000000, -0.0000051500000000 ] - [ 0.0000479700000000, -0.0000612600000000, -0.0000443000000000 ] - [ 0.0003807000000000, 0.0001512400000000, -0.0001035000000000 ] - [ -0.0001195300000000, -0.0003926500000000, -0.0002081100000000 ] - [ -0.0000211700000000, 0.0000688200000000, 0.0000290800000000 ] - [ -0.0000411900000000, -0.0000669800000000, 0.0001087400000000 ] - [ 0.0002698200000000, -0.0004309700000000, 0.0003235300000000 ] - [ -0.0000809100000000, 0.0000102800000000, 0.0002126300000000 ] - [ -0.0003383700000000, -0.0001490000000000, 0.0000806400000000 ] - [ 0.0005662700000000, -0.0000620800000000, -0.0001883000000000 ] - [ 0.0001118400000000, -0.0008799200000000, -0.0008155500000000 ] - [ -0.0011218700000000, -0.0001778000000000, -0.0011446500000000 ] - [ -0.0001802900000000, 0.0001383800000000, 0.0002790600000000 ] - [ 0.0003026500000000, -0.0000919700000000, 0.0002203200000000 ] - [ -0.0000310200000000, -0.0003302500000000, -0.0003326900000000 ] - [ 0.0001305800000000, -0.0003034100000000, 0.0000577000000000 ] - [ -0.0000354800000000, 0.0001034900000000, -0.0002529600000000 ] - [ 0.0005868400000000, 0.0000087100000000, -0.0001252500000000 ] - [ 0.0001694400000000, 0.0002821300000000, -0.0000237400000000 ] - [ -0.0005679900000000, 0.0000064900000000, 0.0002601800000000 ] - [ 0.0003824400000000, 0.0000422200000000, 0.0001796500000000 ] - [ 0.0005707000000000, 0.0006656900000000, -0.0005508800000000 ] - [ -0.0005254100000000, -0.0000288800000000, -0.0002626900000000 ] - [ -0.0006752800000000, 0.0000183800000000, 0.0001285800000000 ] - [ -0.0002306300000000, 0.0002672500000000, 0.0000314900000000 ] - [ 0.0004808500000000, -0.0000340000000000, 0.0002966700000000 ] - [ -0.0002424700000000, -0.0003025200000000, -0.0000827300000000 ] - [ 0.0002847100000000, -0.0002718400000000, 0.0000675200000000 ] - [ -0.0004962600000000, 0.0000216900000000, -0.0002100800000000 ] - [ 0.0007364500000000, 0.0000253200000000, -0.0000800400000000 ] - [ -0.0001816100000000, -0.0000131800000000, -0.0002268500000000 ] - [ -0.0006855500000000, 0.0000045300000000, 0.0001914600000000 ] - [ 0.0002682100000000, 0.0001267100000000, 0.0000346500000000 ]- atom: 14 displacement: [ 0.0099986890339478, 0.0000000000000000, -0.0001619185054627 ] forces: - [ -0.0000137200000000, -0.0001134800000000, 0.0000209000000000 ] - [ 0.0000960400000000, 0.0000940800000000, 0.0000369900000000 ] - [ 0.0086052800000000, -0.0009839700000000, -0.0049951800000000 ] - [ -0.0000597300000000, 0.0000766800000000, -0.0000076300000000 ] - [ 0.0000372400000000, -0.0000255800000000, 0.0003298300000000 ] - [ 0.0003225900000000, -0.0000590900000000, -0.0002319900000000 ] - [ -0.0017736100000000, 0.0004671700000000, -0.0009935500000000 ] - [ -0.0007141900000000, 0.0001651400000000, -0.0003735900000000 ] - [ 0.0003121300000000, -0.0017383400000000, -0.0000939100000000 ] - [ 0.0000588100000000, -0.0004485400000000, -0.0000067700000000 ] - [ -0.0000366600000000, 0.0003750000000000, -0.0008236000000000 ] - [ -0.0000591300000000, -0.0000100500000000, 0.0002662400000000 ] - [ 0.0000164000000000, 0.0003263800000000, 0.0007130100000000 ] - [ -0.0969978000000000, -0.0178995100000000, -0.0259427800000000 ] - [ 0.0000457600000000, 0.0004196500000000, 0.0001749600000000 ] - [ -0.0000082000000000, 0.0001740900000000, 0.0001378800000000 ] - [ -0.0000600600000000, -0.0004748200000000, 0.0001560400000000 ] - [ -0.0001341600000000, 0.0003808800000000, -0.0002769600000000 ] - [ -0.0083831400000000, 0.0077715100000000, 0.0031498900000000 ] - [ -0.0002355400000000, -0.0003232600000000, 0.0006749900000000 ] - [ 0.0000367000000000, 0.0001674600000000, -0.0001890000000000 ] - [ 0.0003470500000000, -0.0000879100000000, -0.0000101000000000 ] - [ 0.0003608800000000, 0.0002189100000000, 0.0000832400000000 ] - [ 0.0002129500000000, -0.0003961100000000, -0.0001313900000000 ] - [ -0.0000987300000000, 0.0003422400000000, -0.0001683100000000 ] - [ 0.0000708300000000, -0.0000040500000000, -0.0002660700000000 ] - [ 0.0000487300000000, -0.0001671000000000, -0.0000575700000000 ] - [ 0.0001765300000000, 0.0000140300000000, 0.0000550400000000 ] - [ -0.0003250200000000, 0.0003889900000000, -0.0003434600000000 ] - [ 0.0002928900000000, 0.0004447100000000, 0.0004173100000000 ] - [ 0.0011778400000000, -0.0001010400000000, -0.0019062100000000 ] - [ -0.0009349600000000, -0.0000155400000000, 0.0007116500000000 ] - [ 0.0000149000000000, 0.0000218000000000, -0.0000453300000000 ] - [ 0.0007925100000000, 0.0007149400000000, -0.0003816100000000 ] - [ -0.0125509900000000, 0.0009087600000000, 0.0085928700000000 ] - [ 0.0001212600000000, -0.0000182000000000, -0.0001429000000000 ] - [ 0.0000402500000000, -0.0000922200000000, 0.0002258300000000 ] - [ 0.0361058000000000, -0.0323632700000000, 0.0137454900000000 ] - [ 0.0699512900000000, 0.0412965400000000, 0.0049917900000000 ] - [ -0.0002781600000000, -0.0002082300000000, 0.0001142900000000 ] - [ -0.0003458800000000, 0.0001392900000000, 0.0000822300000000 ] - [ 0.0003993500000000, -0.0006345900000000, 0.0008005700000000 ] - [ 0.0000213400000000, 0.0003129500000000, -0.0007007900000000 ] - [ -0.0000962400000000, -0.0000052200000000, 0.0002061700000000 ] - [ -0.0000199400000000, 0.0003086500000000, 0.0007096200000000 ] - [ 0.0000447500000000, -0.0001738800000000, -0.0001282700000000 ] - [ 0.0001074100000000, 0.0003990100000000, 0.0001957300000000 ] - [ -0.0000720800000000, 0.0001697300000000, 0.0001139900000000 ] - [ -0.0013426100000000, -0.0003304900000000, -0.0006047100000000 ] - [ -0.0001143700000000, 0.0003880000000000, -0.0002186600000000 ] - [ 0.0000091800000000, -0.0003016400000000, -0.0007380500000000 ] - [ 0.0009096700000000, 0.0020754500000000, 0.0015872200000000 ] - [ 0.0000725700000000, 0.0001869700000000, -0.0001693300000000 ] - [ 0.0003643900000000, -0.0001650700000000, -0.0000898700000000 ] - [ 0.0001941100000000, 0.0003259200000000, 0.0000295300000000 ] - [ 0.0004441800000000, 0.0005749300000000, -0.0002050700000000 ] - [ -0.0001784100000000, 0.0003324600000000, -0.0000365600000000 ] - [ 0.0000832000000000, -0.0000000400000000, -0.0001924000000000 ] - [ -0.0005715800000000, -0.0008141300000000, 0.0001415700000000 ] - [ 0.0000956200000000, -0.0012312800000000, -0.0014584900000000 ] - [ -0.0002748000000000, 0.0004219300000000, -0.0003235000000000 ] - [ 0.0002571600000000, 0.0004264200000000, 0.0003230800000000 ] - [ 0.0001641400000000, -0.0003082500000000, 0.0000500100000000 ] - [ 0.0000208700000000, 0.0000403800000000, -0.0000570400000000 ] - [ 0.0000331400000000, -0.0000622400000000, 0.0000047200000000 ] - [ 0.0005355500000000, -0.0000855500000000, -0.0001903500000000 ] - [ -0.0001124000000000, -0.0004007300000000, -0.0002187600000000 ] - [ -0.0000512900000000, 0.0004526300000000, 0.0005702400000000 ] - [ -0.0000347900000000, -0.0000602600000000, 0.0000129400000000 ] - [ 0.0002921100000000, -0.0004321000000000, 0.0003400700000000 ] - [ -0.0000470900000000, 0.0000003100000000, 0.0002498400000000 ] - [ -0.0003745600000000, -0.0001630400000000, 0.0001056100000000 ] - [ 0.0005832900000000, 0.0000032100000000, -0.0000989400000000 ] - [ -0.0001324200000000, -0.0001696700000000, -0.0002388500000000 ] - [ -0.0005117000000000, -0.0000842400000000, 0.0002885300000000 ] - [ -0.0001013300000000, 0.0002192300000000, 0.0001785400000000 ] - [ 0.0004362700000000, -0.0000074600000000, 0.0001328300000000 ] - [ -0.0000949400000000, -0.0000740700000000, 0.0003799600000000 ] - [ 0.0002206100000000, -0.0002691800000000, -0.0000345200000000 ] - [ 0.0000581300000000, -0.0006191100000000, 0.0005498100000000 ] - [ 0.0006311700000000, 0.0000115500000000, -0.0002240600000000 ] - [ 0.0001228300000000, 0.0003067800000000, 0.0000763000000000 ] - [ -0.0001358400000000, 0.0000158700000000, 0.0004555100000000 ] - [ 0.0002701100000000, 0.0000852800000000, 0.0002380100000000 ] - [ 0.0007611200000000, -0.0000613900000000, -0.0001228100000000 ] - [ -0.0004824600000000, -0.0000210500000000, -0.0001862100000000 ] - [ -0.0006905100000000, -0.0000204900000000, 0.0002181700000000 ] - [ -0.0002155000000000, 0.0003149200000000, -0.0001526100000000 ] - [ 0.0007233800000000, 0.0000092600000000, 0.0002854200000000 ] - [ -0.0002339100000000, -0.0002517600000000, 0.0000701000000000 ] - [ 0.0008670500000000, -0.0004537600000000, 0.0004244700000000 ] - [ -0.0004903800000000, 0.0000326700000000, -0.0002756300000000 ] - [ 0.0012534100000000, 0.0001530500000000, 0.0001485400000000 ] - [ 0.0002661000000000, 0.0002677800000000, 0.0000635900000000 ] - [ -0.0006373200000000, -0.0000225900000000, 0.0000963900000000 ] - [ 0.0005392900000000, 0.0000099700000000, 0.0003258400000000 ]- atom: 14 displacement: [ -0.0099986890339478, 0.0000000000000000, 0.0001619185054627 ] forces: - [ 0.0000177000000000, -0.0000534200000000, -0.0000207900000000 ] - [ -0.0000953900000000, 0.0000724400000000, -0.0000368900000000 ] - [ -0.0083882800000000, 0.0006753700000000, 0.0047419600000000 ] - [ 0.0000593900000000, 0.0000901500000000, 0.0000065400000000 ] - [ -0.0000295500000000, 0.0000254600000000, -0.0003308300000000 ] - [ -0.0003184700000000, 0.0000597900000000, 0.0002367800000000 ] - [ 0.0017640700000000, -0.0004683400000000, 0.0009932500000000 ] - [ 0.0007123700000000, -0.0001670300000000, 0.0003602600000000 ] - [ -0.0010519000000000, 0.0020376000000000, 0.0002792200000000 ] - [ -0.0004151800000000, -0.0001879800000000, -0.0000856100000000 ] - [ 0.0000420300000000, 0.0002609500000000, -0.0006191800000000 ] - [ -0.0000813800000000, 0.0000076900000000, 0.0001978100000000 ] - [ -0.0000209000000000, 0.0003095400000000, 0.0007286500000000 ] - [ 0.0984571600000000, 0.0192634800000000, 0.0265855800000000 ] - [ 0.0001936900000000, 0.0003643600000000, 0.0002588000000000 ] - [ -0.0000808000000000, 0.0001912500000000, 0.0001629700000000 ] - [ 0.0002982400000000, -0.0003065800000000, 0.0002760700000000 ] - [ -0.0001056400000000, 0.0004041400000000, -0.0001573800000000 ] - [ 0.0083964900000000, -0.0084445900000000, -0.0044727100000000 ] - [ 0.0002347100000000, -0.0003172000000000, 0.0007635400000000 ] - [ 0.0000514600000000, 0.0001977600000000, -0.0001116200000000 ] - [ 0.0003554900000000, -0.0002164800000000, -0.0001585000000000 ] - [ -0.0000112400000000, 0.0004197800000000, 0.0000153000000000 ] - [ -0.0000674100000000, 0.0003964100000000, -0.0003286800000000 ] - [ -0.0002560300000000, 0.0002960800000000, 0.0000778700000000 ] - [ 0.0000691000000000, 0.0000016000000000, -0.0001971700000000 ] - [ -0.0006321300000000, -0.0006715700000000, -0.0006227800000000 ] - [ -0.0002702500000000, -0.0003781800000000, 0.0002454300000000 ] - [ -0.0002586300000000, 0.0004512800000000, -0.0003392400000000 ] - [ 0.0002907400000000, 0.0003962500000000, 0.0002646400000000 ] - [ -0.0008038100000000, -0.0005645600000000, 0.0019938600000000 ] - [ 0.0010080800000000, 0.0002091400000000, -0.0007797900000000 ] - [ 0.0000593600000000, -0.0001369800000000, -0.0000389800000000 ] - [ -0.0000847800000000, -0.0004071100000000, 0.0002116300000000 ] - [ 0.0124154100000000, -0.0017852200000000, -0.0089983900000000 ] - [ -0.0001930100000000, 0.0001356700000000, 0.0002233600000000 ] - [ -0.0001127700000000, -0.0000220700000000, -0.0001434800000000 ] - [ -0.0355209300000000, 0.0320041700000000, -0.0135032200000000 ] - [ -0.0717416900000000, -0.0433189600000000, -0.0049761900000000 ] - [ -0.0004251000000000, -0.0000941900000000, 0.0000551900000000 ] - [ -0.0003573000000000, 0.0001649000000000, 0.0000856600000000 ] - [ -0.0007576300000000, -0.0000027600000000, -0.0008861500000000 ] - [ -0.0000159500000000, 0.0003227900000000, -0.0007402700000000 ] - [ -0.0000441500000000, 0.0000035500000000, 0.0002579700000000 ] - [ 0.0000154400000000, 0.0003266500000000, 0.0007310700000000 ] - [ 0.0000436200000000, -0.0001911500000000, -0.0001715500000000 ] - [ 0.0001313100000000, 0.0003861900000000, 0.0002362400000000 ] - [ -0.0000159000000000, 0.0001941100000000, 0.0001827600000000 ] - [ 0.0015724400000000, -0.0004645700000000, 0.0010316200000000 ] - [ -0.0001249800000000, 0.0003964000000000, -0.0002143900000000 ] - [ -0.0000041100000000, -0.0003330800000000, -0.0007030100000000 ] - [ -0.0009612800000000, -0.0026951400000000, -0.0001155800000000 ] - [ 0.0000166300000000, 0.0001790600000000, -0.0001308100000000 ] - [ 0.0003389900000000, -0.0001389800000000, -0.0000781300000000 ] - [ 0.0001612400000000, 0.0003134000000000, 0.0000613800000000 ] - [ -0.0003036200000000, -0.0005593300000000, -0.0002621100000000 ] - [ -0.0001756600000000, 0.0003066200000000, -0.0000555300000000 ] - [ 0.0000550900000000, -0.0000023400000000, -0.0002699900000000 ] - [ -0.0000224100000000, -0.0000461000000000, -0.0008381900000000 ] - [ -0.0001465800000000, 0.0008744200000000, 0.0017216700000000 ] - [ -0.0003096000000000, 0.0004197300000000, -0.0003584800000000 ] - [ 0.0003260200000000, 0.0004131900000000, 0.0003596400000000 ] - [ 0.0001896500000000, -0.0003302900000000, 0.0000421000000000 ] - [ 0.0000510300000000, 0.0000738800000000, -0.0000261800000000 ] - [ 0.0000395500000000, -0.0000525800000000, -0.0000860100000000 ] - [ 0.0001664700000000, 0.0003752100000000, 0.0000268100000000 ] - [ -0.0001270600000000, -0.0003844800000000, -0.0002146000000000 ] - [ -0.0000219500000000, -0.0003333600000000, -0.0004811400000000 ] - [ -0.0000379300000000, -0.0000538600000000, 0.0000702000000000 ] - [ 0.0002901500000000, -0.0004080500000000, 0.0003423200000000 ] - [ -0.0000918800000000, 0.0000024400000000, 0.0002141200000000 ] - [ -0.0003296200000000, -0.0001415300000000, 0.0000623300000000 ] - [ 0.0006801600000000, -0.0000411600000000, -0.0002207300000000 ] - [ -0.0007650400000000, 0.0001049300000000, -0.0002034900000000 ] - [ -0.0007518400000000, 0.0001235600000000, 0.0000311500000000 ] - [ -0.0002913800000000, 0.0003601400000000, -0.0002437000000000 ] - [ 0.0004616100000000, -0.0000550500000000, 0.0003120400000000 ] - [ -0.0002946400000000, -0.0005054400000000, -0.0004525200000000 ] - [ 0.0001672000000000, -0.0003137300000000, 0.0001149200000000 ] - [ -0.0009606200000000, 0.0006854600000000, -0.0009938100000000 ] - [ 0.0006313600000000, 0.0000261100000000, -0.0000940600000000 ] - [ 0.0002668200000000, 0.0002764200000000, 0.0000004000000000 ] - [ -0.0011265200000000, -0.0000754800000000, -0.0001282000000000 ] - [ 0.0006242300000000, -0.0000204000000000, 0.0002032600000000 ] - [ 0.0005028300000000, 0.0000211900000000, -0.0001929500000000 ] - [ -0.0004165500000000, -0.0000430200000000, -0.0002577200000000 ] - [ -0.0005754700000000, 0.0000572800000000, 0.0001000400000000 ] - [ -0.0001743500000000, 0.0002684400000000, 0.0000731300000000 ] - [ 0.0001853100000000, -0.0000670800000000, 0.0001598000000000 ] - [ -0.0001575100000000, -0.0003323400000000, -0.0001506000000000 ] - [ -0.0004753800000000, -0.0001228800000000, -0.0003526900000000 ] - [ -0.0004087200000000, 0.0000305000000000, -0.0001683400000000 ] - [ 0.0000136000000000, -0.0000802700000000, -0.0004474400000000 ] - [ 0.0001240700000000, 0.0003167700000000, 0.0000171900000000 ] - [ -0.0006281500000000, -0.0000133800000000, 0.0002227300000000 ] - [ 0.0003587300000000, 0.0000545900000000, 0.0001205300000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000200500000000, -0.0000660800000000, -0.0000024900000000 ] - [ -0.0000145300000000, 0.0000888400000000, -0.0000090900000000 ] - [ -0.0057911100000000, 0.0015427200000000, 0.0023551100000000 ] - [ -0.0000103100000000, 0.0000869700000000, -0.0000020700000000 ] - [ 0.0001205500000000, -0.0000385800000000, -0.0000963100000000 ] - [ -0.0001485200000000, -0.0000411800000000, 0.0000903400000000 ] - [ -0.0016023400000000, 0.0046201700000000, -0.0001669500000000 ] - [ 0.0000486600000000, 0.0002520400000000, 0.0003606300000000 ] - [ 0.0023799500000000, -0.0019052300000000, 0.0035767000000000 ] - [ 0.0000881300000000, -0.0000598100000000, -0.0001326100000000 ] - [ -0.0000001000000000, 0.0003444500000000, -0.0008466300000000 ] - [ -0.0000066500000000, -0.0000136800000000, 0.0001205800000000 ] - [ -0.0000151300000000, 0.0003050100000000, 0.0007126500000000 ] - [ -0.0168098000000000, -0.1204325600000000, 0.0117569300000000 ] - [ 0.0000799900000000, 0.0003880300000000, 0.0001279400000000 ] - [ -0.0000506800000000, 0.0002032200000000, 0.0001579500000000 ] - [ 0.0001731000000000, -0.0005017600000000, 0.0002862900000000 ] - [ -0.0001698700000000, 0.0004648600000000, -0.0002124700000000 ] - [ 0.0081912000000000, 0.0011204200000000, -0.0227302300000000 ] - [ 0.0000461800000000, -0.0005031000000000, 0.0003194000000000 ] - [ 0.0000576000000000, 0.0001381900000000, -0.0001484000000000 ] - [ 0.0003664300000000, -0.0001247100000000, -0.0001374600000000 ] - [ -0.0000322800000000, 0.0002909500000000, 0.0001457600000000 ] - [ -0.0000682700000000, -0.0002575100000000, -0.0002882500000000 ] - [ -0.0000947400000000, 0.0003511400000000, 0.0001066200000000 ] - [ 0.0000786000000000, 0.0000029900000000, -0.0002289700000000 ] - [ -0.0002338600000000, -0.0007842100000000, -0.0002111400000000 ] - [ -0.0002380400000000, 0.0005287000000000, 0.0002530400000000 ] - [ -0.0002750200000000, 0.0004179500000000, -0.0003370100000000 ] - [ 0.0003021200000000, 0.0004223200000000, 0.0003678900000000 ] - [ 0.0003420900000000, -0.0001129600000000, -0.0006728200000000 ] - [ -0.0022228400000000, 0.0011779400000000, -0.0015445700000000 ] - [ 0.0000566200000000, 0.0000089700000000, 0.0000366800000000 ] - [ 0.0009452400000000, 0.0005501200000000, -0.0002892200000000 ] - [ 0.0035160800000000, 0.0209983300000000, 0.0181353600000000 ] - [ -0.0002899900000000, -0.0005688300000000, 0.0000159100000000 ] - [ -0.0000473600000000, -0.0000873200000000, -0.0000061500000000 ] - [ -0.0302504700000000, 0.0567955800000000, -0.0102690500000000 ] - [ 0.0375000300000000, 0.0371213900000000, 0.0003917800000000 ] - [ -0.0002399900000000, -0.0001317700000000, 0.0000682900000000 ] - [ -0.0003687300000000, 0.0001380800000000, 0.0000603500000000 ] - [ -0.0005737900000000, -0.0004975700000000, -0.0002634000000000 ] - [ 0.0000049900000000, 0.0003148300000000, -0.0007253600000000 ] - [ -0.0000657900000000, 0.0000047300000000, 0.0002345200000000 ] - [ 0.0000041200000000, 0.0003349400000000, 0.0006951600000000 ] - [ 0.0000507800000000, -0.0001501100000000, -0.0001663000000000 ] - [ 0.0001069200000000, 0.0004170300000000, 0.0002280600000000 ] - [ -0.0000540400000000, 0.0001183100000000, 0.0001946600000000 ] - [ 0.0001597400000000, -0.0002894700000000, 0.0006695200000000 ] - [ -0.0001237300000000, 0.0003938400000000, -0.0002117700000000 ] - [ 0.0000365700000000, -0.0003458700000000, -0.0007073200000000 ] - [ 0.0019425500000000, 0.0007835800000000, 0.0006259500000000 ] - [ 0.0000391600000000, 0.0001873400000000, -0.0001490400000000 ] - [ 0.0003564800000000, -0.0001436900000000, -0.0000815800000000 ] - [ 0.0001783600000000, 0.0003244400000000, 0.0000426700000000 ] - [ -0.0001136000000000, 0.0001235800000000, -0.0001731500000000 ] - [ -0.0001798700000000, 0.0003120500000000, -0.0000326700000000 ] - [ 0.0000813200000000, -0.0000017000000000, -0.0002307100000000 ] - [ -0.0003495300000000, -0.0005013000000000, -0.0005572100000000 ] - [ 0.0009932100000000, 0.0000536600000000, -0.0000180700000000 ] - [ -0.0003037200000000, 0.0003971800000000, -0.0003510500000000 ] - [ 0.0002961200000000, 0.0004162200000000, 0.0003447000000000 ] - [ 0.0001693400000000, -0.0002902100000000, 0.0000549300000000 ] - [ 0.0000213800000000, 0.0000409700000000, -0.0000398700000000 ] - [ 0.0000470300000000, -0.0000714800000000, -0.0000302300000000 ] - [ -0.0001724400000000, 0.0002558300000000, -0.0002138800000000 ] - [ -0.0001278900000000, -0.0004005800000000, -0.0002125900000000 ] - [ 0.0001467400000000, -0.0001075600000000, -0.0002196800000000 ] - [ -0.0000344500000000, -0.0000639900000000, 0.0000329800000000 ] - [ 0.0002987100000000, -0.0004284600000000, 0.0003577100000000 ] - [ -0.0000568600000000, 0.0000060500000000, 0.0002239000000000 ] - [ -0.0003523300000000, -0.0001406500000000, 0.0000909000000000 ] - [ 0.0006667900000000, -0.0000141900000000, -0.0001713200000000 ] - [ -0.0005501500000000, 0.0000071500000000, -0.0002622800000000 ] - [ -0.0007495000000000, -0.0002263600000000, 0.0002489800000000 ] - [ -0.0000667300000000, -0.0000042700000000, -0.0000386000000000 ] - [ 0.0004196100000000, -0.0000319000000000, 0.0002466100000000 ] - [ -0.0000084600000000, -0.0004396300000000, -0.0004383600000000 ] - [ 0.0001809200000000, -0.0002763000000000, 0.0000384000000000 ] - [ -0.0000128300000000, -0.0011125600000000, -0.0000909100000000 ] - [ 0.0005951200000000, 0.0000446900000000, -0.0001181300000000 ] - [ 0.0002263400000000, 0.0002855500000000, 0.0000093000000000 ] - [ -0.0001487100000000, -0.0002309500000000, 0.0005333200000000 ] - [ 0.0005374400000000, 0.0000631900000000, 0.0001918000000000 ] - [ 0.0006213700000000, 0.0000114400000000, -0.0002092400000000 ] - [ -0.0004362800000000, -0.0000318000000000, -0.0002352800000000 ] - [ -0.0006124800000000, 0.0000468400000000, 0.0001238900000000 ] - [ -0.0002144600000000, 0.0002831700000000, 0.0000128100000000 ] - [ 0.0005713500000000, -0.0003323900000000, 0.0002193900000000 ] - [ -0.0001675500000000, -0.0002802900000000, -0.0000599700000000 ] - [ 0.0008609500000000, -0.0011457300000000, -0.0002084700000000 ] - [ -0.0004913200000000, 0.0000338300000000, -0.0002139600000000 ] - [ 0.0010118100000000, -0.0006775500000000, -0.0005252200000000 ] - [ 0.0001760100000000, 0.0002697100000000, 0.0000475500000000 ] - [ -0.0006464000000000, -0.0000067400000000, 0.0001779300000000 ] - [ 0.0004796600000000, -0.0000169100000000, 0.0001956700000000 ]- atom: 14 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000159100000000, -0.0001036600000000, 0.0000024800000000 ] - [ 0.0000168200000000, 0.0000813000000000, 0.0000099500000000 ] - [ 0.0058476200000000, -0.0018286500000000, -0.0024689900000000 ] - [ 0.0000082400000000, 0.0000833700000000, 0.0000032400000000 ] - [ -0.0001136100000000, 0.0000383200000000, 0.0000974200000000 ] - [ 0.0001583300000000, 0.0000416200000000, -0.0000869700000000 ] - [ 0.0015953400000000, -0.0046157600000000, 0.0001948000000000 ] - [ -0.0000754200000000, -0.0002680700000000, -0.0003514000000000 ] - [ -0.0030692400000000, 0.0021612000000000, -0.0034062200000000 ] - [ -0.0004450000000000, -0.0005756700000000, 0.0000401700000000 ] - [ 0.0000037100000000, 0.0002921500000000, -0.0005944600000000 ] - [ -0.0001284000000000, 0.0000125300000000, 0.0003447000000000 ] - [ 0.0000107000000000, 0.0003318700000000, 0.0007310000000000 ] - [ 0.0200079600000000, 0.1198376200000000, -0.0094510300000000 ] - [ 0.0001599200000000, 0.0003949700000000, 0.0003052200000000 ] - [ -0.0000346300000000, 0.0001600300000000, 0.0001402000000000 ] - [ 0.0000639900000000, -0.0002781100000000, 0.0001452300000000 ] - [ -0.0000695200000000, 0.0003179000000000, -0.0002192600000000 ] - [ -0.0080635000000000, -0.0016132200000000, 0.0211076200000000 ] - [ -0.0000481300000000, -0.0001376400000000, 0.0011271400000000 ] - [ 0.0000279700000000, 0.0002256900000000, -0.0001508800000000 ] - [ 0.0003371300000000, -0.0001773400000000, -0.0000285800000000 ] - [ 0.0003813800000000, 0.0003490200000000, -0.0000492200000000 ] - [ 0.0002090300000000, 0.0002568200000000, -0.0001756300000000 ] - [ -0.0002601500000000, 0.0002887800000000, -0.0002030500000000 ] - [ 0.0000554700000000, -0.0000049000000000, -0.0002360200000000 ] - [ -0.0003497800000000, -0.0000521400000000, -0.0004747200000000 ] - [ 0.0001499700000000, -0.0008927600000000, 0.0000467000000000 ] - [ -0.0003128300000000, 0.0004215500000000, -0.0003480700000000 ] - [ 0.0002859600000000, 0.0004172300000000, 0.0003163700000000 ] - [ -0.0000253300000000, -0.0004999800000000, 0.0007865600000000 ] - [ 0.0022834200000000, -0.0011589400000000, 0.0014065300000000 ] - [ 0.0000203000000000, -0.0001242200000000, -0.0001202500000000 ] - [ -0.0002448700000000, -0.0002488000000000, 0.0001221800000000 ] - [ -0.0038962400000000, -0.0219621700000000, -0.0187763300000000 ] - [ 0.0002202100000000, 0.0006829600000000, 0.0000625100000000 ] - [ -0.0000311200000000, -0.0000289800000000, 0.0000920700000000 ] - [ 0.0297481500000000, -0.0549459000000000, 0.0092493700000000 ] - [ -0.0397018700000000, -0.0393049900000000, -0.0003420500000000 ] - [ -0.0004626600000000, -0.0001714000000000, 0.0000993600000000 ] - [ -0.0003345800000000, 0.0001657800000000, 0.0001081600000000 ] - [ 0.0002137300000000, -0.0001413100000000, 0.0001679100000000 ] - [ 0.0000004100000000, 0.0003211500000000, -0.0007172200000000 ] - [ -0.0000700300000000, -0.0000063400000000, 0.0002300000000000 ] - [ -0.0000106600000000, 0.0003009100000000, 0.0007475700000000 ] - [ 0.0000349700000000, -0.0002136700000000, -0.0001317100000000 ] - [ 0.0001310000000000, 0.0003654700000000, 0.0002060000000000 ] - [ -0.0000320000000000, 0.0002446400000000, 0.0001053100000000 ] - [ 0.0001003100000000, -0.0005017800000000, -0.0002342800000000 ] - [ -0.0001147700000000, 0.0003888300000000, -0.0002212400000000 ] - [ -0.0000314000000000, -0.0002890600000000, -0.0007351500000000 ] - [ -0.0019205800000000, -0.0014284900000000, 0.0008021100000000 ] - [ 0.0000477900000000, 0.0001769800000000, -0.0001491800000000 ] - [ 0.0003483200000000, -0.0001593600000000, -0.0000876900000000 ] - [ 0.0001766900000000, 0.0003157600000000, 0.0000479200000000 ] - [ 0.0002486300000000, -0.0001323600000000, -0.0002920300000000 ] - [ -0.0001755400000000, 0.0003284000000000, -0.0000612800000000 ] - [ 0.0000549800000000, 0.0000005500000000, -0.0002335900000000 ] - [ -0.0002369100000000, -0.0003222800000000, -0.0001189500000000 ] - [ -0.0011081700000000, -0.0004133400000000, 0.0003355700000000 ] - [ -0.0002824900000000, 0.0004425300000000, -0.0003326300000000 ] - [ 0.0002904200000000, 0.0004231300000000, 0.0003395800000000 ] - [ 0.0001844400000000, -0.0003496400000000, 0.0000372300000000 ] - [ 0.0000550500000000, 0.0000744000000000, -0.0000428900000000 ] - [ 0.0000290400000000, -0.0000436200000000, -0.0000513900000000 ] - [ 0.0008753900000000, 0.0000542000000000, 0.0000452700000000 ] - [ -0.0001111800000000, -0.0003826700000000, -0.0002213100000000 ] - [ -0.0002247000000000, 0.0002215200000000, 0.0002997300000000 ] - [ -0.0000408900000000, -0.0000510900000000, 0.0000502600000000 ] - [ 0.0002880400000000, -0.0004108900000000, 0.0003265700000000 ] - [ -0.0000783500000000, -0.0000037600000000, 0.0002403100000000 ] - [ -0.0003504500000000, -0.0001638300000000, 0.0000772600000000 ] - [ 0.0005969600000000, -0.0000188400000000, -0.0001486800000000 ] - [ -0.0003474300000000, -0.0000689900000000, -0.0001873400000000 ] - [ -0.0005026500000000, 0.0002681400000000, 0.0000582800000000 ] - [ -0.0003240900000000, 0.0005832100000000, -0.0000302000000000 ] - [ 0.0004815400000000, -0.0000300000000000, 0.0001986000000000 ] - [ -0.0003768000000000, -0.0001319400000000, 0.0003794200000000 ] - [ 0.0002117400000000, -0.0003021600000000, 0.0000248500000000 ] - [ -0.0008806500000000, 0.0011760200000000, -0.0003545600000000 ] - [ 0.0006681200000000, -0.0000081300000000, -0.0002007000000000 ] - [ 0.0001655400000000, 0.0002941100000000, 0.0000522900000000 ] - [ -0.0011150200000000, 0.0001825200000000, -0.0002029600000000 ] - [ 0.0003618800000000, 0.0000010100000000, 0.0002522400000000 ] - [ 0.0006475100000000, -0.0000427300000000, -0.0001099100000000 ] - [ -0.0004686300000000, -0.0000313600000000, -0.0002105100000000 ] - [ -0.0006553100000000, -0.0000132600000000, 0.0001949000000000 ] - [ -0.0001798800000000, 0.0002954100000000, -0.0000751800000000 ] - [ 0.0003295900000000, 0.0002698600000000, 0.0002235000000000 ] - [ -0.0002291100000000, -0.0002993900000000, -0.0000032700000000 ] - [ -0.0004667800000000, 0.0005579200000000, 0.0002733000000000 ] - [ -0.0004148700000000, 0.0000273800000000, -0.0002328500000000 ] - [ 0.0002676300000000, 0.0007156100000000, 0.0002133400000000 ] - [ 0.0002216200000000, 0.0003099500000000, 0.0000089700000000 ] - [ -0.0006197300000000, -0.0000273200000000, 0.0001411900000000 ] - [ 0.0004289200000000, 0.0000806100000000, 0.0002513600000000 ]- atom: 14 displacement: [ -0.0020666810454366, 0.0000000000000000, 0.0097841110713459 ] forces: - [ 0.0001270300000000, -0.0001127100000000, 0.0000393700000000 ] - [ -0.0000419900000000, 0.0000796800000000, -0.0000293500000000 ] - [ -0.0082958700000000, 0.0017216900000000, 0.0075421700000000 ] - [ -0.0000512300000000, 0.0001028600000000, 0.0000371500000000 ] - [ 0.0001699900000000, 0.0000330900000000, -0.0003559400000000 ] - [ -0.0000874900000000, 0.0000458800000000, 0.0003553800000000 ] - [ -0.0005491900000000, -0.0006872500000000, -0.0011454900000000 ] - [ 0.0006021000000000, 0.0000687600000000, 0.0002039800000000 ] - [ -0.0027815200000000, -0.0033031900000000, 0.0008539900000000 ] - [ -0.0004203900000000, -0.0003614200000000, -0.0000902800000000 ] - [ -0.0001030300000000, 0.0003212400000000, -0.0006015300000000 ] - [ -0.0000477000000000, -0.0000070900000000, 0.0002365900000000 ] - [ -0.0000071600000000, 0.0002894400000000, 0.0007223800000000 ] - [ -0.0066579300000000, 0.0136064200000000, -0.0617177100000000 ] - [ 0.0001194400000000, 0.0003677800000000, 0.0002307500000000 ] - [ -0.0000643500000000, 0.0001942500000000, 0.0001576800000000 ] - [ 0.0001384400000000, -0.0002643000000000, 0.0004019200000000 ] - [ -0.0001320800000000, 0.0004204400000000, -0.0001845600000000 ] - [ 0.0029487900000000, -0.0095739800000000, 0.0178196300000000 ] - [ 0.0000400100000000, -0.0003484900000000, 0.0008669500000000 ] - [ 0.0000082700000000, 0.0001861100000000, -0.0001145100000000 ] - [ 0.0003071300000000, -0.0001913900000000, -0.0002018400000000 ] - [ -0.0000173600000000, 0.0004174700000000, -0.0000914300000000 ] - [ 0.0001277300000000, 0.0001388100000000, -0.0000845900000000 ] - [ -0.0002019400000000, 0.0002785500000000, 0.0001196500000000 ] - [ 0.0000708800000000, -0.0000040500000000, -0.0002201100000000 ] - [ -0.0003708500000000, -0.0004123400000000, -0.0003225800000000 ] - [ -0.0001862100000000, -0.0003226000000000, 0.0000597300000000 ] - [ -0.0002764300000000, 0.0004429000000000, -0.0003469600000000 ] - [ 0.0003453300000000, 0.0003815500000000, 0.0003349300000000 ] - [ 0.0009522800000000, -0.0014988900000000, -0.0023902300000000 ] - [ 0.0010763500000000, 0.0059403400000000, -0.0003095600000000 ] - [ 0.0000489100000000, -0.0000901200000000, 0.0000361400000000 ] - [ 0.0002957200000000, -0.0000157100000000, -0.0000949200000000 ] - [ 0.0109544400000000, 0.0068498900000000, 0.0040457300000000 ] - [ 0.0003390100000000, 0.0001726700000000, -0.0001544600000000 ] - [ 0.0000172200000000, -0.0000146500000000, -0.0000543100000000 ] - [ 0.0064450600000000, -0.0180680500000000, 0.0190816800000000 ] - [ -0.0041357700000000, 0.0042611100000000, 0.0135262900000000 ] - [ -0.0003481300000000, -0.0000946800000000, 0.0000373300000000 ] - [ -0.0003582500000000, 0.0001810200000000, 0.0000975600000000 ] - [ 0.0001637300000000, -0.0003716000000000, 0.0000318100000000 ] - [ -0.0000124900000000, 0.0003005200000000, -0.0007339200000000 ] - [ -0.0000415100000000, 0.0000015200000000, 0.0002505300000000 ] - [ -0.0000382400000000, 0.0003419000000000, 0.0007222200000000 ] - [ 0.0000653700000000, -0.0002023200000000, -0.0001773000000000 ] - [ 0.0000813500000000, 0.0003687500000000, 0.0002488900000000 ] - [ -0.0000696600000000, 0.0002297900000000, 0.0003456500000000 ] - [ 0.0014474200000000, -0.0008182800000000, 0.0006249600000000 ] - [ -0.0001276500000000, 0.0004054400000000, -0.0001963700000000 ] - [ 0.0000016100000000, -0.0003078100000000, -0.0006949000000000 ] - [ 0.0000004600000000, -0.0010544700000000, -0.0000424100000000 ] - [ 0.0000207800000000, 0.0001832800000000, -0.0001249800000000 ] - [ 0.0003701000000000, -0.0001238900000000, -0.0000997500000000 ] - [ 0.0001656000000000, 0.0003232600000000, 0.0000464800000000 ] - [ -0.0004832300000000, -0.0005108800000000, 0.0001267400000000 ] - [ -0.0002093800000000, 0.0003099300000000, -0.0000841500000000 ] - [ 0.0001616700000000, 0.0000348700000000, -0.0003001300000000 ] - [ -0.0000843800000000, 0.0001280500000000, -0.0002689500000000 ] - [ -0.0015808400000000, 0.0002199400000000, 0.0017655400000000 ] - [ -0.0002422200000000, 0.0003483500000000, -0.0003544600000000 ] - [ 0.0003223700000000, 0.0004181800000000, 0.0003518100000000 ] - [ 0.0001726400000000, -0.0003345700000000, 0.0000194500000000 ] - [ 0.0000382000000000, 0.0000587100000000, 0.0000056300000000 ] - [ 0.0000492300000000, -0.0000610000000000, -0.0000813200000000 ] - [ 0.0003838400000000, 0.0002995900000000, 0.0000214500000000 ] - [ -0.0001268300000000, -0.0003794500000000, -0.0002039500000000 ] - [ -0.0000545000000000, -0.0001052800000000, -0.0005504900000000 ] - [ -0.0000067300000000, -0.0000811500000000, 0.0000693700000000 ] - [ 0.0002531900000000, -0.0004122300000000, 0.0003319800000000 ] - [ -0.0000823200000000, 0.0000003800000000, 0.0001973800000000 ] - [ -0.0003214900000000, -0.0001364400000000, 0.0000702900000000 ] - [ 0.0006496900000000, -0.0000216900000000, -0.0002397100000000 ] - [ -0.0006747200000000, -0.0000431200000000, -0.0001777600000000 ] - [ -0.0007603300000000, 0.0001146600000000, 0.0000278600000000 ] - [ -0.0000098100000000, 0.0004561200000000, -0.0003457800000000 ] - [ 0.0004130800000000, -0.0000657500000000, 0.0003190600000000 ] - [ -0.0003953200000000, -0.0006718700000000, -0.0004452800000000 ] - [ 0.0001168600000000, -0.0003226600000000, 0.0001332800000000 ] - [ 0.0003533200000000, 0.0001170000000000, 0.0004804400000000 ] - [ 0.0005894600000000, 0.0000310300000000, -0.0000848000000000 ] - [ 0.0002345700000000, 0.0002696000000000, -0.0000386500000000 ] - [ -0.0008038800000000, 0.0013607300000000, 0.0001608300000000 ] - [ 0.0005083000000000, -0.0000067700000000, 0.0001372800000000 ] - [ 0.0005723900000000, -0.0000001900000000, -0.0002051100000000 ] - [ -0.0004706500000000, -0.0000343700000000, -0.0002793300000000 ] - [ -0.0006181700000000, 0.0000351900000000, 0.0000901100000000 ] - [ -0.0002150900000000, 0.0002675400000000, 0.0000760400000000 ] - [ 0.0000052100000000, -0.0001439200000000, 0.0001887900000000 ] - [ -0.0002015000000000, -0.0003298900000000, -0.0001794100000000 ] - [ 0.0001266600000000, -0.0002172500000000, 0.0008183100000000 ] - [ -0.0004735600000000, 0.0000214400000000, -0.0001736200000000 ] - [ 0.0009390000000000, -0.0013492200000000, -0.0002620200000000 ] - [ 0.0001705600000000, 0.0003067200000000, 0.0000204500000000 ] - [ -0.0006692400000000, -0.0000018500000000, 0.0002316000000000 ] - [ 0.0003978100000000, 0.0000244000000000, 0.0001336800000000 ]- atom: 14 displacement: [ 0.0020666810454366, 0.0000000000000000, -0.0097841110713459 ] forces: - [ -0.0001230700000000, -0.0000552300000000, -0.0000389300000000 ] - [ 0.0000434500000000, 0.0000874600000000, 0.0000298200000000 ] - [ 0.0086119600000000, -0.0021406200000000, -0.0078496100000000 ] - [ 0.0000485600000000, 0.0000641900000000, -0.0000371600000000 ] - [ -0.0001622900000000, -0.0000332200000000, 0.0003562600000000 ] - [ 0.0000943200000000, -0.0000459000000000, -0.0003521600000000 ] - [ 0.0005287300000000, 0.0007028600000000, 0.0011190500000000 ] - [ -0.0006118700000000, -0.0000725800000000, -0.0002163500000000 ] - [ 0.0020770800000000, 0.0036343400000000, -0.0007105000000000 ] - [ 0.0000637400000000, -0.0002757300000000, -0.0000005400000000 ] - [ 0.0001071300000000, 0.0003130600000000, -0.0008392400000000 ] - [ -0.0000929300000000, 0.0000069700000000, 0.0002309700000000 ] - [ 0.0000008300000000, 0.0003440000000000, 0.0007189200000000 ] - [ 0.0063378600000000, -0.0147229900000000, 0.0618083300000000 ] - [ 0.0001200200000000, 0.0004184400000000, 0.0002010700000000 ] - [ -0.0000246300000000, 0.0001718000000000, 0.0001420300000000 ] - [ 0.0000992000000000, -0.0005211000000000, 0.0000295000000000 ] - [ -0.0001090400000000, 0.0003667800000000, -0.0002472600000000 ] - [ -0.0030455500000000, 0.0091043500000000, -0.0193866800000000 ] - [ -0.0000458300000000, -0.0002873100000000, 0.0005722000000000 ] - [ 0.0000796200000000, 0.0001807500000000, -0.0001851800000000 ] - [ 0.0003972800000000, -0.0001137400000000, 0.0000358200000000 ] - [ 0.0003667600000000, 0.0002254200000000, 0.0001806200000000 ] - [ 0.0000157700000000, -0.0001438200000000, -0.0003783300000000 ] - [ -0.0001534800000000, 0.0003615700000000, -0.0002101700000000 ] - [ 0.0000696500000000, 0.0000039500000000, -0.0002453700000000 ] - [ -0.0002076900000000, -0.0004259800000000, -0.0003592800000000 ] - [ 0.0000955800000000, -0.0000389400000000, 0.0002395800000000 ] - [ -0.0003056600000000, 0.0003952900000000, -0.0003372900000000 ] - [ 0.0002376500000000, 0.0004563800000000, 0.0003493700000000 ] - [ -0.0005859600000000, 0.0008337200000000, 0.0024506600000000 ] - [ -0.0010116800000000, -0.0057800100000000, 0.0002307900000000 ] - [ 0.0000233000000000, -0.0000243300000000, -0.0001157400000000 ] - [ 0.0004126800000000, 0.0003248600000000, -0.0000739000000000 ] - [ -0.0111625100000000, -0.0077744900000000, -0.0043843000000000 ] - [ -0.0004001100000000, -0.0000628100000000, 0.0002345400000000 ] - [ -0.0000868900000000, -0.0000988100000000, 0.0001403500000000 ] - [ -0.0059810400000000, 0.0177971700000000, -0.0184844800000000 ] - [ 0.0042514900000000, -0.0039054800000000, -0.0129587600000000 ] - [ -0.0003568700000000, -0.0002098300000000, 0.0001319000000000 ] - [ -0.0003467900000000, 0.0001242200000000, 0.0000684400000000 ] - [ -0.0005187300000000, -0.0002699200000000, -0.0001359000000000 ] - [ 0.0000195700000000, 0.0003325600000000, -0.0007070000000000 ] - [ -0.0000991700000000, -0.0000012100000000, 0.0002155800000000 ] - [ 0.0000306500000000, 0.0002909300000000, 0.0007183300000000 ] - [ 0.0000239700000000, -0.0001636000000000, -0.0001220500000000 ] - [ 0.0001575200000000, 0.0004174700000000, 0.0001830400000000 ] - [ -0.0000201200000000, 0.0001363000000000, -0.0000449500000000 ] - [ -0.0012144400000000, 0.0000351500000000, -0.0001885400000000 ] - [ -0.0001125100000000, 0.0003808500000000, -0.0002353300000000 ] - [ 0.0000055400000000, -0.0003243100000000, -0.0007459200000000 ] - [ -0.0000291900000000, 0.0004058000000000, 0.0014788800000000 ] - [ 0.0000688400000000, 0.0001834400000000, -0.0001741700000000 ] - [ 0.0003357500000000, -0.0001808100000000, -0.0000668400000000 ] - [ 0.0001908000000000, 0.0003178500000000, 0.0000421900000000 ] - [ 0.0006208400000000, 0.0005084800000000, -0.0006014100000000 ] - [ -0.0001471000000000, 0.0003309900000000, -0.0000069600000000 ] - [ -0.0000200300000000, -0.0000342200000000, -0.0001656200000000 ] - [ -0.0004921500000000, -0.0009712800000000, -0.0004232900000000 ] - [ 0.0015286700000000, -0.0005584600000000, -0.0014866500000000 ] - [ -0.0003387300000000, 0.0004896300000000, -0.0003290100000000 ] - [ 0.0002590200000000, 0.0004196600000000, 0.0003319700000000 ] - [ 0.0001833400000000, -0.0003061200000000, 0.0000705700000000 ] - [ 0.0000335500000000, 0.0000557200000000, -0.0000888300000000 ] - [ 0.0000220000000000, -0.0000523700000000, -0.0000008700000000 ] - [ 0.0003191100000000, 0.0000017600000000, -0.0001838600000000 ] - [ -0.0001133700000000, -0.0004075000000000, -0.0002282900000000 ] - [ -0.0000146400000000, 0.0002204200000000, 0.0006485600000000 ] - [ -0.0000640300000000, -0.0000327600000000, 0.0000141700000000 ] - [ 0.0003284400000000, -0.0004258700000000, 0.0003521000000000 ] - [ -0.0000583800000000, -0.0000001000000000, 0.0002686100000000 ] - [ -0.0003836800000000, -0.0001697300000000, 0.0000958000000000 ] - [ 0.0006132600000000, -0.0000151000000000, -0.0000797500000000 ] - [ -0.0002155100000000, -0.0000218800000000, -0.0002617600000000 ] - [ -0.0005001900000000, -0.0000778900000000, 0.0002919700000000 ] - [ -0.0003790400000000, 0.0001257200000000, 0.0002718200000000 ] - [ 0.0004842100000000, 0.0000040600000000, 0.0001236500000000 ] - [ 0.0000086500000000, 0.0000943600000000, 0.0003751700000000 ] - [ 0.0002718500000000, -0.0002592000000000, -0.0000569600000000 ] - [ -0.0012411600000000, -0.0000610900000000, -0.0009136400000000 ] - [ 0.0006726700000000, 0.0000053100000000, -0.0002340800000000 ] - [ 0.0001546700000000, 0.0003138500000000, 0.0001151900000000 ] - [ -0.0004599700000000, -0.0013933100000000, 0.0001773800000000 ] - [ 0.0003820500000000, 0.0000717200000000, 0.0003018500000000 ] - [ 0.0006927400000000, -0.0000380700000000, -0.0001107700000000 ] - [ -0.0004272800000000, -0.0000291400000000, -0.0001626600000000 ] - [ -0.0006474800000000, 0.0000009200000000, 0.0002285600000000 ] - [ -0.0001754300000000, 0.0003155900000000, -0.0001558600000000 ] - [ 0.0008900300000000, 0.0000805200000000, 0.0002526000000000 ] - [ -0.0001906900000000, -0.0002533000000000, 0.0001018500000000 ] - [ 0.0002732800000000, -0.0003707200000000, -0.0007351600000000 ] - [ -0.0004223500000000, 0.0000409200000000, -0.0002679700000000 ] - [ 0.0003241200000000, 0.0013682700000000, -0.0000612000000000 ] - [ 0.0002210500000000, 0.0002773500000000, 0.0000585600000000 ] - [ -0.0005964600000000, -0.0000331900000000, 0.0000879100000000 ] - [ 0.0004969000000000, 0.0000409500000000, 0.0003099500000000 ]- atom: 15 displacement: [ 0.0099986890339478, 0.0000000000000000, -0.0001619185054627 ] forces: - [ -0.0000465000000000, -0.0000887400000000, -0.0000049500000000 ] - [ 0.0059759900000000, 0.0012299200000000, -0.0042132100000000 ] - [ -0.0000415500000000, -0.0000901700000000, -0.0000420600000000 ] - [ -0.0000461300000000, 0.0000539700000000, -0.0000067600000000 ] - [ -0.0019909600000000, -0.0005006300000000, 0.0021154400000000 ] - [ -0.0006373300000000, -0.0006452900000000, -0.0011213200000000 ] - [ -0.0000796300000000, 0.0000106100000000, 0.0000364100000000 ] - [ -0.0001475400000000, 0.0000820700000000, -0.0000705900000000 ] - [ 0.0000204600000000, -0.0003573300000000, 0.0003447200000000 ] - [ -0.0001079100000000, -0.0002956000000000, -0.0002537900000000 ] - [ 0.0000321700000000, 0.0004420500000000, -0.0007014600000000 ] - [ 0.0001780900000000, 0.0000381900000000, 0.0002775700000000 ] - [ 0.0009230900000000, 0.0003811800000000, -0.0002305000000000 ] - [ -0.0000297400000000, -0.0002209400000000, -0.0001656500000000 ] - [ -0.0789849600000000, 0.0364157800000000, -0.0086047100000000 ] - [ -0.0125464200000000, 0.0036042700000000, 0.0087181500000000 ] - [ 0.0000818300000000, -0.0004037000000000, 0.0002441600000000 ] - [ -0.0001492200000000, 0.0004062200000000, -0.0002429100000000 ] - [ -0.0000566700000000, -0.0000109600000000, -0.0004677400000000 ] - [ 0.0000051400000000, -0.0003604600000000, 0.0006687200000000 ] - [ -0.0001347100000000, 0.0001272000000000, -0.0001711600000000 ] - [ 0.0009604600000000, 0.0011470300000000, -0.0001505500000000 ] - [ 0.0002432800000000, 0.0002633100000000, 0.0000724300000000 ] - [ 0.0001082800000000, 0.0000250600000000, -0.0001567100000000 ] - [ -0.0125580000000000, -0.0052464600000000, -0.0029821000000000 ] - [ 0.0463574700000000, -0.0285719000000000, -0.0342193100000000 ] - [ -0.0002825500000000, -0.0004380900000000, -0.0003240400000000 ] - [ -0.0000573600000000, -0.0001317700000000, 0.0001345800000000 ] - [ -0.0001159800000000, 0.0006905800000000, 0.0011168800000000 ] - [ 0.0003760400000000, 0.0001655800000000, 0.0004739700000000 ] - [ -0.0000498800000000, -0.0000998300000000, 0.0010199200000000 ] - [ 0.0006513700000000, 0.0005719200000000, 0.0000678100000000 ] - [ 0.0000600500000000, 0.0000694100000000, -0.0001159400000000 ] - [ 0.0003101300000000, 0.0001754700000000, -0.0000457700000000 ] - [ -0.0003165500000000, -0.0005971500000000, 0.0000163400000000 ] - [ -0.0000273500000000, 0.0000470800000000, 0.0000959800000000 ] - [ 0.0477272200000000, -0.0065913800000000, 0.0373781100000000 ] - [ 0.0004063700000000, -0.0002989900000000, 0.0002460800000000 ] - [ 0.0000075300000000, -0.0000972000000000, 0.0002411000000000 ] - [ -0.0005442100000000, -0.0003255300000000, 0.0002419900000000 ] - [ -0.0003544600000000, 0.0001392300000000, 0.0000852300000000 ] - [ -0.0001676000000000, -0.0003212300000000, -0.0000212500000000 ] - [ -0.0002329700000000, -0.0001328600000000, -0.0010947000000000 ] - [ 0.0001948500000000, -0.0004953200000000, 0.0002409400000000 ] - [ -0.0000124000000000, 0.0003028200000000, 0.0007293600000000 ] - [ 0.0000314700000000, -0.0001950100000000, -0.0001921500000000 ] - [ 0.0001026000000000, 0.0003888800000000, 0.0002228600000000 ] - [ -0.0000365400000000, 0.0001737600000000, 0.0001439200000000 ] - [ 0.0001047300000000, -0.0003888600000000, 0.0002191400000000 ] - [ 0.0015081000000000, 0.0007386700000000, 0.0003089700000000 ] - [ 0.0000047000000000, -0.0003333700000000, -0.0007235100000000 ] - [ -0.0000067500000000, -0.0003158800000000, 0.0007294800000000 ] - [ -0.0013783100000000, 0.0001546500000000, 0.0009004900000000 ] - [ 0.0003431800000000, -0.0001486500000000, -0.0000862800000000 ] - [ -0.0001302000000000, 0.0003828200000000, -0.0001046800000000 ] - [ 0.0000640900000000, 0.0000129200000000, -0.0002319400000000 ] - [ -0.0001782900000000, 0.0003221600000000, -0.0000359800000000 ] - [ 0.0000846200000000, 0.0000012300000000, -0.0002302900000000 ] - [ -0.0002922600000000, -0.0004293700000000, -0.0003475400000000 ] - [ -0.0000385600000000, -0.0001779600000000, 0.0001425700000000 ] - [ -0.0002972600000000, 0.0004369400000000, -0.0003325100000000 ] - [ 0.0006208000000000, 0.0008804500000000, 0.0006361000000000 ] - [ 0.0001792400000000, -0.0003098000000000, 0.0000390400000000 ] - [ 0.0000358200000000, 0.0000629700000000, -0.0000506000000000 ] - [ 0.0004863000000000, -0.0002487700000000, -0.0002315300000000 ] - [ 0.0003526600000000, 0.0001639100000000, -0.0000861300000000 ] - [ -0.0001218700000000, -0.0003831600000000, -0.0002160600000000 ] - [ -0.0000262100000000, 0.0000466700000000, 0.0000483600000000 ] - [ -0.0000347400000000, -0.0000582900000000, 0.0000282700000000 ] - [ 0.0002955100000000, -0.0003898200000000, 0.0003562900000000 ] - [ -0.0000701800000000, -0.0000168200000000, 0.0002551700000000 ] - [ -0.0002498400000000, -0.0001274500000000, 0.0001994100000000 ] - [ 0.0009105700000000, 0.0001688400000000, -0.0002624200000000 ] - [ -0.0003843600000000, -0.0001198500000000, -0.0001704100000000 ] - [ -0.0006241300000000, -0.0000093800000000, 0.0001755800000000 ] - [ -0.0001698400000000, 0.0002890400000000, -0.0000521800000000 ] - [ 0.0010348200000000, -0.0000380800000000, 0.0004782500000000 ] - [ -0.0001786900000000, -0.0002939400000000, -0.0000141500000000 ] - [ 0.0002863700000000, -0.0003160500000000, 0.0001166900000000 ] - [ -0.0004440700000000, 0.0000368200000000, -0.0002390000000000 ] - [ 0.0011910000000000, -0.0005075300000000, -0.0000926400000000 ] - [ 0.0003152000000000, -0.0000661400000000, 0.0001309900000000 ] - [ -0.0006116800000000, -0.0000320100000000, 0.0001410600000000 ] - [ 0.0010264800000000, -0.0000289400000000, 0.0002053300000000 ] - [ 0.0006678500000000, -0.0000286300000000, -0.0001470400000000 ] - [ -0.0004545000000000, 0.0000404900000000, -0.0001167100000000 ] - [ -0.0005962700000000, 0.0000296900000000, 0.0003120800000000 ] - [ 0.0006925100000000, 0.0003219400000000, -0.0008038700000000 ] - [ 0.0004703100000000, -0.0000271300000000, 0.0002241000000000 ] - [ -0.0000783800000000, -0.0002788900000000, -0.0000935400000000 ] - [ 0.0002087100000000, -0.0002894600000000, 0.0000338400000000 ] - [ -0.0004639000000000, 0.0000492300000000, -0.0005661000000000 ] - [ 0.0006465500000000, 0.0000184900000000, -0.0001662900000000 ] - [ 0.0002188900000000, 0.0002774600000000, 0.0000372100000000 ] - [ -0.0003990400000000, 0.0004706800000000, 0.0001157700000000 ] - [ 0.0004815800000000, 0.0000231000000000, 0.0002338700000000 ]- atom: 15 displacement: [ -0.0099986890339478, 0.0000000000000000, 0.0001619185054627 ] forces: - [ 0.0000480200000000, -0.0000781200000000, 0.0000053800000000 ] - [ -0.0062648800000000, -0.0012702100000000, 0.0042567600000000 ] - [ 0.0000400200000000, -0.0000761200000000, 0.0000411600000000 ] - [ 0.0000419100000000, 0.0001124200000000, 0.0000061000000000 ] - [ 0.0020178800000000, 0.0005039600000000, -0.0021255000000000 ] - [ 0.0006386200000000, 0.0006533500000000, 0.0011543700000000 ] - [ 0.0000721700000000, -0.0000107200000000, -0.0000350500000000 ] - [ 0.0001378300000000, -0.0000808300000000, 0.0000647100000000 ] - [ -0.0007242900000000, 0.0006586700000000, -0.0001784000000000 ] - [ -0.0002461900000000, -0.0003405600000000, 0.0001617200000000 ] - [ -0.0000270900000000, 0.0001972900000000, -0.0007383700000000 ] - [ -0.0003165300000000, -0.0000358300000000, 0.0001877200000000 ] - [ -0.0009559800000000, 0.0002524000000000, 0.0016748000000000 ] - [ 0.0001186000000000, -0.0001437400000000, -0.0001342500000000 ] - [ 0.0792054400000000, -0.0345934100000000, 0.0087345600000000 ] - [ 0.0124246700000000, -0.0032076100000000, -0.0084697100000000 ] - [ 0.0001570000000000, -0.0003811500000000, 0.0001895800000000 ] - [ -0.0000874200000000, 0.0003784200000000, -0.0001917100000000 ] - [ 0.0000611900000000, -0.0006253800000000, -0.0009730500000000 ] - [ -0.0000081400000000, -0.0002776600000000, 0.0007732000000000 ] - [ 0.0002236100000000, 0.0002337100000000, -0.0001303300000000 ] - [ -0.0002327700000000, -0.0014281200000000, -0.0000740400000000 ] - [ 0.0001139000000000, 0.0003748600000000, 0.0000202800000000 ] - [ 0.0000315200000000, -0.0000231200000000, -0.0003079800000000 ] - [ 0.0121405000000000, 0.0059640800000000, 0.0028692300000000 ] - [ -0.0460179400000000, 0.0278802800000000, 0.0331078100000000 ] - [ -0.0003023800000000, -0.0004022000000000, -0.0003593800000000 ] - [ -0.0000313000000000, -0.0002321200000000, 0.0001654200000000 ] - [ -0.0004474700000000, 0.0002046400000000, -0.0017611400000000 ] - [ 0.0002161000000000, 0.0006662900000000, 0.0002181800000000 ] - [ 0.0004060200000000, -0.0005398300000000, -0.0009298100000000 ] - [ -0.0005784900000000, -0.0004535400000000, -0.0001587000000000 ] - [ 0.0000081800000000, -0.0001777500000000, 0.0000335800000000 ] - [ 0.0003909100000000, 0.0001283000000000, -0.0001212700000000 ] - [ 0.0000772200000000, -0.0001878100000000, -0.0004467900000000 ] - [ -0.0000456000000000, 0.0000675300000000, -0.0000123500000000 ] - [ -0.0475672100000000, 0.0061540300000000, -0.0362856000000000 ] - [ 0.0001779500000000, -0.0005410400000000, 0.0004371200000000 ] - [ -0.0001468000000000, 0.0000979300000000, 0.0002236100000000 ] - [ -0.0001629900000000, 0.0000143300000000, -0.0000750600000000 ] - [ -0.0003490700000000, 0.0001649700000000, 0.0000822000000000 ] - [ -0.0001870000000000, -0.0003181500000000, -0.0000698000000000 ] - [ 0.0002400000000000, 0.0007729400000000, -0.0003404400000000 ] - [ -0.0003378900000000, 0.0005011600000000, 0.0002252000000000 ] - [ 0.0000068600000000, 0.0003321100000000, 0.0007114300000000 ] - [ 0.0000573700000000, -0.0001700300000000, -0.0001085200000000 ] - [ 0.0001358100000000, 0.0003963000000000, 0.0002094500000000 ] - [ -0.0000521700000000, 0.0001906900000000, 0.0001554300000000 ] - [ 0.0001349400000000, -0.0003951900000000, 0.0002136200000000 ] - [ -0.0017741000000000, 0.0000495700000000, -0.0007502700000000 ] - [ 0.0000000800000000, -0.0003022100000000, -0.0007162400000000 ] - [ 0.0000019200000000, -0.0003198000000000, 0.0007112200000000 ] - [ 0.0014768800000000, 0.0001993600000000, -0.0012041800000000 ] - [ 0.0003603400000000, -0.0001551400000000, -0.0000825500000000 ] - [ 0.0004916200000000, 0.0002560700000000, 0.0001994200000000 ] - [ 0.0000758700000000, -0.0000108900000000, -0.0002316100000000 ] - [ -0.0001760100000000, 0.0003170600000000, -0.0000554500000000 ] - [ 0.0000547200000000, -0.0000034800000000, -0.0002340200000000 ] - [ -0.0002911000000000, -0.0004110100000000, -0.0003349000000000 ] - [ -0.0000503400000000, -0.0001870600000000, 0.0001570700000000 ] - [ -0.0002862300000000, 0.0004039400000000, -0.0003495600000000 ] - [ -0.0000452500000000, -0.0000509100000000, 0.0000418200000000 ] - [ 0.0001750800000000, -0.0003290800000000, 0.0000543900000000 ] - [ 0.0000364100000000, 0.0000515500000000, -0.0000329300000000 ] - [ -0.0004205700000000, 0.0001349800000000, 0.0001479300000000 ] - [ 0.0003504100000000, 0.0001404900000000, -0.0000815900000000 ] - [ -0.0001163500000000, -0.0004009300000000, -0.0002175600000000 ] - [ -0.0000468300000000, 0.0000678900000000, 0.0000335700000000 ] - [ -0.0000382900000000, -0.0000563300000000, 0.0000550400000000 ] - [ 0.0002876300000000, -0.0004502600000000, 0.0003256700000000 ] - [ -0.0000698600000000, 0.0000188800000000, 0.0002085500000000 ] - [ -0.0004563400000000, -0.0001774100000000, -0.0000338200000000 ] - [ 0.0003519600000000, -0.0002119300000000, -0.0000578000000000 ] - [ -0.0005074700000000, 0.0000535300000000, -0.0002696700000000 ] - [ -0.0006392400000000, 0.0000454900000000, 0.0001442200000000 ] - [ -0.0002192700000000, 0.0002926800000000, -0.0000240000000000 ] - [ -0.0001400400000000, -0.0000226900000000, -0.0000366700000000 ] - [ -0.0002106700000000, -0.0002893100000000, -0.0000617900000000 ] - [ 0.0001025100000000, -0.0002657400000000, -0.0000413000000000 ] - [ -0.0004510400000000, 0.0000261300000000, -0.0002043100000000 ] - [ 0.0000695200000000, 0.0005472500000000, -0.0002240300000000 ] - [ 0.0000765300000000, 0.0006533400000000, -0.0000639300000000 ] - [ -0.0006506800000000, -0.0000078700000000, 0.0001769700000000 ] - [ -0.0001352700000000, 0.0000942700000000, 0.0002335200000000 ] - [ 0.0005983900000000, -0.0000088900000000, -0.0001705400000000 ] - [ -0.0004398900000000, -0.0001063900000000, -0.0003305900000000 ] - [ -0.0006676800000000, 0.0000133500000000, 0.0000012200000000 ] - [ -0.0011177500000000, 0.0002544300000000, 0.0007139300000000 ] - [ 0.0004286000000000, -0.0000353000000000, 0.0002195900000000 ] - [ -0.0003128900000000, -0.0003048900000000, 0.0000141500000000 ] - [ 0.0001816100000000, -0.0002931900000000, 0.0000449700000000 ] - [ -0.0004320000000000, 0.0000131600000000, 0.0001271100000000 ] - [ 0.0006188800000000, 0.0000199000000000, -0.0001528000000000 ] - [ 0.0001729200000000, 0.0003056700000000, 0.0000415800000000 ] - [ -0.0008677800000000, -0.0005100600000000, 0.0002050600000000 ] - [ 0.0004164000000000, 0.0000413400000000, 0.0002097300000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000013300000000, -0.0000886300000000, 0.0000127400000000 ] - [ 0.0041507800000000, 0.0023800700000000, -0.0023727800000000 ] - [ 0.0000099800000000, -0.0000690400000000, -0.0000100100000000 ] - [ -0.0001178900000000, 0.0000795900000000, -0.0000050200000000 ] - [ 0.0008392000000000, -0.0013087400000000, -0.0015950400000000 ] - [ -0.0003370600000000, -0.0001208100000000, 0.0004840300000000 ] - [ -0.0001782900000000, 0.0000063100000000, 0.0001982700000000 ] - [ 0.0000628600000000, -0.0000149400000000, -0.0002209100000000 ] - [ -0.0004559900000000, -0.0000356800000000, -0.0000563400000000 ] - [ -0.0000670000000000, -0.0000971900000000, -0.0002342200000000 ] - [ 0.0000020400000000, 0.0004585300000000, -0.0005504300000000 ] - [ 0.0000788400000000, 0.0000775200000000, 0.0001707900000000 ] - [ -0.0026971000000000, -0.0019570000000000, 0.0022331000000000 ] - [ 0.0000710400000000, -0.0001860900000000, -0.0001705000000000 ] - [ 0.0350350200000000, -0.0856525100000000, -0.0147704300000000 ] - [ 0.0014693600000000, 0.0215478300000000, 0.0078221000000000 ] - [ 0.0001327600000000, -0.0004272000000000, 0.0002643200000000 ] - [ -0.0001334700000000, 0.0003534500000000, -0.0001364900000000 ] - [ 0.0000032400000000, -0.0004014400000000, -0.0007896900000000 ] - [ 0.0000661100000000, -0.0004236500000000, 0.0008620000000000 ] - [ 0.0001252300000000, 0.0000715500000000, -0.0002659200000000 ] - [ 0.0007244700000000, -0.0001548100000000, -0.0047721900000000 ] - [ 0.0001871500000000, 0.0002638400000000, -0.0000002900000000 ] - [ 0.0000876800000000, -0.0000104000000000, -0.0001893100000000 ] - [ -0.0026925100000000, 0.0070837000000000, -0.0073943300000000 ] - [ -0.0283711400000000, 0.0386051200000000, 0.0323223200000000 ] - [ -0.0003096100000000, -0.0004167900000000, -0.0003660800000000 ] - [ -0.0000327600000000, -0.0001090600000000, 0.0001255000000000 ] - [ 0.0020231900000000, 0.0021066900000000, 0.0033614900000000 ] - [ -0.0000454200000000, 0.0004429300000000, 0.0004050300000000 ] - [ 0.0004629500000000, -0.0005631000000000, 0.0002866400000000 ] - [ 0.0004164100000000, 0.0002864800000000, -0.0000169900000000 ] - [ 0.0000446500000000, 0.0000888500000000, 0.0000711700000000 ] - [ 0.0002216200000000, 0.0001423800000000, -0.0000715100000000 ] - [ -0.0003243500000000, -0.0003808000000000, -0.0001949200000000 ] - [ -0.0000528700000000, -0.0000304200000000, 0.0000565800000000 ] - [ -0.0090752400000000, 0.0167473200000000, -0.0165944800000000 ] - [ 0.0002581600000000, -0.0004320700000000, 0.0003692800000000 ] - [ -0.0000709700000000, -0.0000510300000000, 0.0002580200000000 ] - [ -0.0006927800000000, -0.0004006900000000, 0.0001880000000000 ] - [ -0.0003553700000000, 0.0001462300000000, 0.0000748300000000 ] - [ -0.0001759100000000, -0.0003251100000000, -0.0000244000000000 ] - [ -0.0003593700000000, 0.0001331000000000, -0.0007264800000000 ] - [ 0.0001688300000000, -0.0000145300000000, 0.0000272700000000 ] - [ -0.0000244800000000, 0.0003079600000000, 0.0007013800000000 ] - [ 0.0000497400000000, -0.0001567900000000, -0.0001741600000000 ] - [ 0.0001165600000000, 0.0004008300000000, 0.0002043800000000 ] - [ -0.0000516300000000, 0.0001733200000000, 0.0001625600000000 ] - [ 0.0001176000000000, -0.0003932600000000, 0.0002074100000000 ] - [ -0.0004541900000000, 0.0006534300000000, -0.0001046300000000 ] - [ -0.0000038100000000, -0.0003314700000000, -0.0007002800000000 ] - [ -0.0000020400000000, -0.0003110900000000, 0.0007235600000000 ] - [ -0.0000187100000000, 0.0002883400000000, 0.0002735300000000 ] - [ 0.0003561400000000, -0.0001593000000000, -0.0000887700000000 ] - [ 0.0001169700000000, 0.0002972400000000, -0.0000541400000000 ] - [ 0.0000607100000000, 0.0000040700000000, -0.0002332700000000 ] - [ -0.0001622500000000, 0.0003209100000000, -0.0000274200000000 ] - [ 0.0000801200000000, -0.0000045800000000, -0.0002177500000000 ] - [ -0.0002921100000000, -0.0004244800000000, -0.0003430500000000 ] - [ -0.0000399600000000, -0.0001803200000000, 0.0001385200000000 ] - [ -0.0002835400000000, 0.0004294400000000, -0.0003309500000000 ] - [ 0.0005873900000000, 0.0006081700000000, 0.0003552700000000 ] - [ 0.0001739900000000, -0.0003106000000000, 0.0000602600000000 ] - [ 0.0000275300000000, 0.0000582700000000, -0.0000528900000000 ] - [ 0.0001525200000000, -0.0000256400000000, 0.0001316200000000 ] - [ 0.0003464000000000, 0.0001527200000000, -0.0000874700000000 ] - [ -0.0001118900000000, -0.0003980400000000, -0.0002250700000000 ] - [ -0.0000391400000000, 0.0000567900000000, 0.0000427300000000 ] - [ -0.0000365100000000, -0.0000564800000000, 0.0000229900000000 ] - [ 0.0002903800000000, -0.0004115300000000, 0.0003420400000000 ] - [ -0.0000835900000000, 0.0000011700000000, 0.0002357000000000 ] - [ -0.0001831800000000, -0.0001452500000000, 0.0001300200000000 ] - [ 0.0007717300000000, 0.0001287900000000, -0.0002663400000000 ] - [ -0.0005354400000000, -0.0000299600000000, -0.0001654700000000 ] - [ -0.0006385700000000, 0.0000437300000000, 0.0002092300000000 ] - [ -0.0001407300000000, 0.0002983600000000, -0.0000944400000000 ] - [ 0.0001283300000000, 0.0005660500000000, 0.0003944300000000 ] - [ -0.0002109800000000, -0.0002901300000000, 0.0000046900000000 ] - [ 0.0001506900000000, -0.0001967500000000, 0.0000995400000000 ] - [ -0.0004137700000000, 0.0000452800000000, -0.0002715500000000 ] - [ 0.0001006400000000, 0.0004549000000000, -0.0004495300000000 ] - [ 0.0001019700000000, 0.0003421800000000, 0.0001074300000000 ] - [ -0.0005810000000000, -0.0000470200000000, 0.0001026100000000 ] - [ 0.0003477800000000, -0.0000241500000000, 0.0001958300000000 ] - [ 0.0006323800000000, -0.0000492600000000, -0.0001084700000000 ] - [ -0.0003858600000000, -0.0000209300000000, -0.0002274800000000 ] - [ -0.0005928600000000, 0.0000061200000000, 0.0001163300000000 ] - [ -0.0004306600000000, 0.0007787900000000, 0.0005459400000000 ] - [ 0.0005011500000000, -0.0000252200000000, 0.0002047400000000 ] - [ -0.0001668500000000, -0.0002820400000000, -0.0001133100000000 ] - [ 0.0002087300000000, -0.0002761600000000, -0.0000378300000000 ] - [ -0.0004340600000000, 0.0001360800000000, -0.0000516600000000 ] - [ 0.0006611600000000, 0.0000123300000000, -0.0001928600000000 ] - [ 0.0002059300000000, 0.0003123600000000, 0.0001277000000000 ] - [ -0.0005368900000000, 0.0002936800000000, 0.0004577600000000 ] - [ 0.0004729900000000, 0.0000294300000000, 0.0002558400000000 ]- atom: 15 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000022600000000, -0.0000785200000000, -0.0000130800000000 ] - [ -0.0042572200000000, -0.0022749100000000, 0.0023591200000000 ] - [ -0.0000111500000000, -0.0000977700000000, 0.0000091400000000 ] - [ 0.0001161500000000, 0.0000865700000000, 0.0000053500000000 ] - [ -0.0008516200000000, 0.0013019600000000, 0.0016137200000000 ] - [ 0.0003535700000000, 0.0001092000000000, -0.0005013400000000 ] - [ 0.0001749400000000, -0.0000057200000000, -0.0002010400000000 ] - [ -0.0000695900000000, 0.0000152700000000, 0.0002195800000000 ] - [ -0.0002485400000000, 0.0003387600000000, 0.0002221500000000 ] - [ -0.0002889400000000, -0.0005402200000000, 0.0001423700000000 ] - [ 0.0000049900000000, 0.0001772700000000, -0.0008869300000000 ] - [ -0.0002149500000000, -0.0000766800000000, 0.0002931500000000 ] - [ 0.0026620000000000, 0.0025663400000000, -0.0007732600000000 ] - [ 0.0000174800000000, -0.0001787900000000, -0.0001293900000000 ] - [ -0.0354769800000000, 0.0873089100000000, 0.0169241400000000 ] - [ -0.0014770700000000, -0.0214149300000000, -0.0077496900000000 ] - [ 0.0001061800000000, -0.0003576300000000, 0.0001682700000000 ] - [ -0.0001055800000000, 0.0004310400000000, -0.0002918400000000 ] - [ 0.0000017000000000, -0.0002350200000000, -0.0006515800000000 ] - [ -0.0000707900000000, -0.0002130200000000, 0.0005791000000000 ] - [ -0.0000384400000000, 0.0002950300000000, -0.0000372900000000 ] - [ -0.0000006700000000, -0.0001466500000000, 0.0045916600000000 ] - [ 0.0001643600000000, 0.0003753600000000, 0.0000928200000000 ] - [ 0.0000516100000000, 0.0000123200000000, -0.0002751900000000 ] - [ 0.0023403000000000, -0.0063862300000000, 0.0073890200000000 ] - [ 0.0292605500000000, -0.0393427800000000, -0.0341834200000000 ] - [ -0.0002746100000000, -0.0004234300000000, -0.0003176700000000 ] - [ -0.0000564100000000, -0.0002556500000000, 0.0001747800000000 ] - [ -0.0026150900000000, -0.0012876400000000, -0.0040796900000000 ] - [ 0.0006303600000000, 0.0003955400000000, 0.0002783700000000 ] - [ -0.0001092900000000, -0.0000769700000000, -0.0001968900000000 ] - [ -0.0003463000000000, -0.0001697400000000, -0.0000744500000000 ] - [ 0.0000275900000000, -0.0002031600000000, -0.0001557300000000 ] - [ 0.0004811300000000, 0.0001616200000000, -0.0000962100000000 ] - [ 0.0000866500000000, -0.0004046200000000, -0.0002346900000000 ] - [ -0.0000194900000000, 0.0001443700000000, 0.0000263500000000 ] - [ 0.0089857900000000, -0.0166974900000000, 0.0165435900000000 ] - [ 0.0003259400000000, -0.0004076900000000, 0.0003143000000000 ] - [ -0.0000681600000000, 0.0000522400000000, 0.0002065100000000 ] - [ -0.0000118200000000, 0.0000949100000000, -0.0000236300000000 ] - [ -0.0003481200000000, 0.0001580900000000, 0.0000926400000000 ] - [ -0.0001790600000000, -0.0003143100000000, -0.0000669300000000 ] - [ 0.0003662700000000, 0.0005020100000000, -0.0007146200000000 ] - [ -0.0003096100000000, 0.0000153500000000, 0.0004425600000000 ] - [ 0.0000188200000000, 0.0003268100000000, 0.0007401500000000 ] - [ 0.0000389100000000, -0.0002085700000000, -0.0001259900000000 ] - [ 0.0001218500000000, 0.0003846400000000, 0.0002282600000000 ] - [ -0.0000365800000000, 0.0001909100000000, 0.0001364400000000 ] - [ 0.0001220100000000, -0.0003909100000000, 0.0002253700000000 ] - [ 0.0002341300000000, 0.0001244500000000, -0.0003254300000000 ] - [ 0.0000094800000000, -0.0003034400000000, -0.0007404400000000 ] - [ -0.0000033100000000, -0.0003245500000000, 0.0007171700000000 ] - [ 0.0001028700000000, 0.0000757100000000, -0.0005726700000000 ] - [ 0.0003475400000000, -0.0001443900000000, -0.0000794800000000 ] - [ 0.0002399000000000, 0.0003426200000000, 0.0001501700000000 ] - [ 0.0000793200000000, -0.0000024200000000, -0.0002304400000000 ] - [ -0.0001925400000000, 0.0003181000000000, -0.0000646100000000 ] - [ 0.0000590700000000, 0.0000026800000000, -0.0002469200000000 ] - [ -0.0002910300000000, -0.0004156700000000, -0.0003395900000000 ] - [ -0.0000491200000000, -0.0001848900000000, 0.0001613700000000 ] - [ -0.0003003900000000, 0.0004108900000000, -0.0003518200000000 ] - [ -0.0000000100000000, 0.0002296400000000, 0.0003280000000000 ] - [ 0.0001810700000000, -0.0003288900000000, 0.0000322800000000 ] - [ 0.0000452000000000, 0.0000559500000000, -0.0000300700000000 ] - [ -0.0000791500000000, -0.0000893500000000, -0.0002217000000000 ] - [ 0.0003569500000000, 0.0001518400000000, -0.0000799300000000 ] - [ -0.0001268800000000, -0.0003865900000000, -0.0002085000000000 ] - [ -0.0000335300000000, 0.0000575000000000, 0.0000391200000000 ] - [ -0.0000362600000000, -0.0000581000000000, 0.0000606700000000 ] - [ 0.0002931700000000, -0.0004281400000000, 0.0003405800000000 ] - [ -0.0000558000000000, 0.0000005000000000, 0.0002281300000000 ] - [ -0.0005188000000000, -0.0001591900000000, 0.0000358700000000 ] - [ 0.0004924400000000, -0.0001625200000000, -0.0000527700000000 ] - [ -0.0003568200000000, -0.0000362300000000, -0.0002765300000000 ] - [ -0.0006244900000000, -0.0000041800000000, 0.0001089100000000 ] - [ -0.0002487200000000, 0.0002834700000000, 0.0000176300000000 ] - [ 0.0007768000000000, -0.0006301200000000, 0.0000550500000000 ] - [ -0.0001780500000000, -0.0002938500000000, -0.0000828200000000 ] - [ 0.0002393800000000, -0.0003858500000000, -0.0000200100000000 ] - [ -0.0004815000000000, 0.0000173500000000, -0.0001705000000000 ] - [ 0.0011652500000000, -0.0004189700000000, 0.0001297100000000 ] - [ 0.0002685200000000, 0.0002414800000000, -0.0000099800000000 ] - [ -0.0006820200000000, 0.0000068000000000, 0.0002158400000000 ] - [ 0.0005440500000000, 0.0000915000000000, 0.0002507200000000 ] - [ 0.0006328900000000, 0.0000095400000000, -0.0002096100000000 ] - [ -0.0005166000000000, -0.0000414900000000, -0.0002155000000000 ] - [ -0.0006751900000000, 0.0000298100000000, 0.0002044500000000 ] - [ 0.0000365400000000, -0.0001905300000000, -0.0006547800000000 ] - [ 0.0003962700000000, -0.0000378000000000, 0.0002392300000000 ] - [ -0.0002245800000000, -0.0003010000000000, 0.0000347700000000 ] - [ 0.0001809500000000, -0.0003073500000000, 0.0001192100000000 ] - [ -0.0004656900000000, -0.0000740100000000, -0.0003955900000000 ] - [ 0.0006029300000000, 0.0000288100000000, -0.0001251400000000 ] - [ 0.0001849300000000, 0.0002714500000000, -0.0000487000000000 ] - [ -0.0007278000000000, -0.0003309600000000, -0.0001408100000000 ] - [ 0.0004232900000000, 0.0000349500000000, 0.0001871000000000 ]- atom: 15 displacement: [ -0.0020666810454366, 0.0000000000000000, 0.0097841110713459 ] forces: - [ -0.0000099900000000, -0.0000749300000000, 0.0000706900000000 ] - [ -0.0007263800000000, -0.0005061600000000, 0.0013066300000000 ] - [ -0.0000006400000000, -0.0001139700000000, 0.0000309500000000 ] - [ 0.0000221200000000, 0.0001456700000000, -0.0000691500000000 ] - [ 0.0020078000000000, -0.0018420300000000, 0.0035555400000000 ] - [ -0.0019856700000000, 0.0007002700000000, 0.0015326500000000 ] - [ 0.0000002200000000, -0.0000422200000000, -0.0000619700000000 ] - [ 0.0008403800000000, -0.0001253700000000, 0.0003426900000000 ] - [ -0.0002376000000000, 0.0001518000000000, 0.0002370600000000 ] - [ -0.0001785700000000, -0.0003255700000000, -0.0000232600000000 ] - [ -0.0005206200000000, 0.0002315600000000, -0.0007516800000000 ] - [ 0.0000727600000000, -0.0000136500000000, 0.0002125000000000 ] - [ 0.0002660000000000, 0.0015773100000000, 0.0014838800000000 ] - [ 0.0000194000000000, -0.0002610200000000, -0.0001402500000000 ] - [ 0.0047536000000000, -0.0209796400000000, -0.1196150100000000 ] - [ 0.0111189800000000, 0.0174276500000000, 0.0043758200000000 ] - [ 0.0001562100000000, -0.0004377700000000, 0.0003266100000000 ] - [ -0.0001438500000000, 0.0003150100000000, -0.0005411100000000 ] - [ -0.0000172100000000, -0.0001852600000000, -0.0006069600000000 ] - [ -0.0001002500000000, -0.0002736400000000, 0.0008400900000000 ] - [ 0.0000243900000000, 0.0001263900000000, 0.0000298300000000 ] - [ -0.0024930400000000, 0.0019768400000000, -0.0004940300000000 ] - [ 0.0003181400000000, 0.0003135700000000, 0.0002203100000000 ] - [ 0.0001015800000000, 0.0000499000000000, -0.0002036800000000 ] - [ -0.0051335300000000, -0.0183085700000000, 0.0194091100000000 ] - [ -0.0382465600000000, 0.0227579600000000, 0.0432663800000000 ] - [ -0.0002368500000000, -0.0004588000000000, -0.0003511800000000 ] - [ -0.0001005400000000, -0.0001965500000000, 0.0001719600000000 ] - [ 0.0012097700000000, -0.0023804100000000, -0.0019524900000000 ] - [ 0.0006336600000000, 0.0005863400000000, 0.0003754800000000 ] - [ 0.0005797700000000, -0.0003456300000000, 0.0008635500000000 ] - [ -0.0002300000000000, -0.0002411500000000, 0.0001928700000000 ] - [ -0.0001528400000000, 0.0002019800000000, 0.0000457800000000 ] - [ 0.0003653400000000, 0.0001439800000000, -0.0000130600000000 ] - [ 0.0001508600000000, -0.0003323000000000, -0.0000869900000000 ] - [ -0.0000978100000000, 0.0000851100000000, 0.0000246500000000 ] - [ 0.0284440600000000, 0.0005336400000000, 0.0480417100000000 ] - [ 0.0003071800000000, -0.0003831900000000, 0.0002024000000000 ] - [ -0.0000867800000000, 0.0000686200000000, 0.0002644500000000 ] - [ -0.0005033100000000, -0.0002809400000000, 0.0001943200000000 ] - [ -0.0003324200000000, 0.0001618900000000, 0.0000526600000000 ] - [ -0.0001969300000000, -0.0003081600000000, -0.0000777100000000 ] - [ -0.0000575900000000, 0.0002120100000000, -0.0006657300000000 ] - [ -0.0000058400000000, -0.0000696500000000, 0.0003333700000000 ] - [ 0.0000157900000000, 0.0003342400000000, 0.0006952300000000 ] - [ 0.0000283600000000, -0.0001695200000000, -0.0001121600000000 ] - [ 0.0001292900000000, 0.0003826200000000, 0.0001997500000000 ] - [ -0.0000481200000000, 0.0001886100000000, 0.0001620700000000 ] - [ 0.0001261600000000, -0.0003849100000000, 0.0002488200000000 ] - [ 0.0000584600000000, 0.0002183000000000, -0.0005778500000000 ] - [ -0.0000556600000000, -0.0003332600000000, -0.0006464100000000 ] - [ -0.0000067600000000, -0.0003264800000000, 0.0007427400000000 ] - [ -0.0004652900000000, -0.0002584200000000, -0.0001179700000000 ] - [ 0.0003320300000000, -0.0001466300000000, -0.0000643600000000 ] - [ 0.0003179200000000, 0.0005030700000000, 0.0002031000000000 ] - [ 0.0000819700000000, -0.0000069100000000, -0.0002396100000000 ] - [ -0.0001716200000000, 0.0003170600000000, -0.0000578500000000 ] - [ 0.0000674400000000, 0.0000046000000000, -0.0002334800000000 ] - [ -0.0002883700000000, -0.0004074500000000, -0.0003466600000000 ] - [ -0.0000481000000000, -0.0001881900000000, 0.0001701200000000 ] - [ -0.0002923700000000, 0.0004077000000000, -0.0003555700000000 ] - [ 0.0002018600000000, 0.0003750900000000, 0.0001805400000000 ] - [ 0.0001375700000000, -0.0003068400000000, 0.0000255900000000 ] - [ 0.0000444000000000, 0.0000477000000000, -0.0000330600000000 ] - [ 0.0000308600000000, -0.0001502600000000, -0.0001553200000000 ] - [ 0.0003663900000000, 0.0001485000000000, -0.0000865100000000 ] - [ -0.0001171300000000, -0.0004031600000000, -0.0001456500000000 ] - [ -0.0000202900000000, 0.0000563500000000, 0.0000488500000000 ] - [ -0.0000286900000000, -0.0000531100000000, 0.0000516500000000 ] - [ 0.0003242500000000, -0.0004133800000000, 0.0003550800000000 ] - [ -0.0000241400000000, 0.0000080600000000, 0.0002093700000000 ] - [ -0.0003895500000000, -0.0001909000000000, 0.0001389700000000 ] - [ 0.0007518600000000, -0.0002994900000000, -0.0001630100000000 ] - [ -0.0010522700000000, 0.0001507800000000, -0.0004858500000000 ] - [ -0.0007217900000000, 0.0001286800000000, 0.0000887700000000 ] - [ -0.0001917400000000, 0.0003014700000000, -0.0000073000000000 ] - [ 0.0001889000000000, 0.0006701200000000, -0.0006900700000000 ] - [ -0.0002500700000000, -0.0003360500000000, -0.0002447200000000 ] - [ 0.0001407700000000, -0.0000871000000000, -0.0005009000000000 ] - [ -0.0004108800000000, 0.0000359900000000, -0.0002210200000000 ] - [ 0.0002693600000000, 0.0000086400000000, -0.0010106900000000 ] - [ 0.0007472700000000, 0.0005466500000000, 0.0002534600000000 ] - [ -0.0006590700000000, 0.0000266300000000, 0.0002157200000000 ] - [ 0.0011675400000000, -0.0000539200000000, -0.0004084800000000 ] - [ 0.0004906400000000, -0.0000962700000000, -0.0001889000000000 ] - [ -0.0001427000000000, -0.0001331100000000, -0.0002852300000000 ] - [ -0.0003279700000000, 0.0002267100000000, -0.0000628300000000 ] - [ 0.0000571800000000, 0.0000554900000000, 0.0013722500000000 ] - [ 0.0004257700000000, -0.0000309400000000, 0.0002283700000000 ] - [ -0.0000004600000000, -0.0004118600000000, -0.0003299500000000 ] - [ 0.0001993500000000, -0.0002961200000000, 0.0000692800000000 ] - [ -0.0007932100000000, 0.0000846800000000, -0.0004749700000000 ] - [ 0.0006335600000000, 0.0000095400000000, -0.0001606800000000 ] - [ 0.0000598200000000, 0.0003465200000000, 0.0001427200000000 ] - [ -0.0008390200000000, 0.0005721500000000, 0.0000741100000000 ] - [ 0.0003530400000000, 0.0000474000000000, 0.0001808200000000 ]- atom: 15 displacement: [ 0.0020666810454366, 0.0000000000000000, -0.0097841110713459 ] forces: - [ 0.0000123100000000, -0.0000921200000000, -0.0000705200000000 ] - [ 0.0007209400000000, 0.0005929300000000, -0.0013906100000000 ] - [ -0.0000017500000000, -0.0000531200000000, -0.0000322900000000 ] - [ -0.0000237900000000, 0.0000219100000000, 0.0000682500000000 ] - [ -0.0020209000000000, 0.0018623700000000, -0.0035870500000000 ] - [ 0.0019710500000000, -0.0006886200000000, -0.0014906400000000 ] - [ -0.0000057600000000, 0.0000414300000000, 0.0000573700000000 ] - [ -0.0008413700000000, 0.0001251200000000, -0.0003375100000000 ] - [ -0.0004688100000000, 0.0001475300000000, -0.0000756500000000 ] - [ -0.0001781700000000, -0.0003087900000000, -0.0000668500000000 ] - [ 0.0005195400000000, 0.0004010300000000, -0.0006952700000000 ] - [ -0.0002138900000000, 0.0000110600000000, 0.0002572800000000 ] - [ -0.0002274800000000, -0.0009177600000000, -0.0000726100000000 ] - [ 0.0000697600000000, -0.0001044000000000, -0.0001588100000000 ] - [ -0.0071038600000000, 0.0246052900000000, 0.1190380100000000 ] - [ -0.0113922800000000, -0.0171530500000000, -0.0041383400000000 ] - [ 0.0000840200000000, -0.0003481700000000, 0.0001065500000000 ] - [ -0.0000963900000000, 0.0004715400000000, 0.0001042500000000 ] - [ 0.0000238700000000, -0.0004476700000000, -0.0008325200000000 ] - [ 0.0000963900000000, -0.0003627400000000, 0.0006016200000000 ] - [ 0.0000611600000000, 0.0002421800000000, -0.0003263100000000 ] - [ 0.0031924800000000, -0.0023410400000000, 0.0003789700000000 ] - [ 0.0000418200000000, 0.0003266100000000, -0.0001264000000000 ] - [ 0.0000391900000000, -0.0000498700000000, -0.0002639200000000 ] - [ 0.0048806600000000, 0.0187886400000000, -0.0192410400000000 ] - [ 0.0397157800000000, -0.0247319800000000, -0.0457462700000000 ] - [ -0.0003456900000000, -0.0003792000000000, -0.0003352800000000 ] - [ 0.0000106900000000, -0.0001693300000000, 0.0001273300000000 ] - [ -0.0017990600000000, 0.0031758400000000, 0.0013090400000000 ] - [ -0.0000574500000000, 0.0002485400000000, 0.0003173300000000 ] - [ -0.0002117300000000, -0.0002956900000000, -0.0007494700000000 ] - [ 0.0002986600000000, 0.0003627300000000, -0.0002954700000000 ] - [ 0.0002225100000000, -0.0003119300000000, -0.0001314600000000 ] - [ 0.0003360100000000, 0.0001616600000000, -0.0001528100000000 ] - [ -0.0003878700000000, -0.0004552100000000, -0.0003342500000000 ] - [ 0.0000265300000000, 0.0000271900000000, 0.0000581200000000 ] - [ -0.0271194400000000, -0.0011212500000000, -0.0450961000000000 ] - [ 0.0002757400000000, -0.0004538100000000, 0.0004811400000000 ] - [ -0.0000529800000000, -0.0000710800000000, 0.0002015900000000 ] - [ -0.0002068600000000, -0.0000293200000000, -0.0000288700000000 ] - [ -0.0003728100000000, 0.0001436700000000, 0.0001132300000000 ] - [ -0.0001591800000000, -0.0003326000000000, -0.0000120300000000 ] - [ 0.0000678400000000, 0.0004198800000000, -0.0007798200000000 ] - [ -0.0001302300000000, 0.0000657700000000, 0.0001340600000000 ] - [ -0.0000223500000000, 0.0002987300000000, 0.0007458000000000 ] - [ 0.0000610500000000, -0.0001963700000000, -0.0001869000000000 ] - [ 0.0001100000000000, 0.0004039600000000, 0.0002317400000000 ] - [ -0.0000405200000000, 0.0001767600000000, 0.0001360900000000 ] - [ 0.0001138200000000, -0.0004005500000000, 0.0001830000000000 ] - [ -0.0002878300000000, 0.0005753300000000, 0.0001516200000000 ] - [ 0.0000624500000000, -0.0002997300000000, -0.0007938000000000 ] - [ -0.0000002700000000, -0.0003067200000000, 0.0006979600000000 ] - [ 0.0005320800000000, 0.0006138400000000, -0.0001583300000000 ] - [ 0.0003725900000000, -0.0001582300000000, -0.0001024600000000 ] - [ 0.0000355400000000, 0.0001376200000000, -0.0001134700000000 ] - [ 0.0000589700000000, 0.0000067000000000, -0.0002262900000000 ] - [ -0.0001843900000000, 0.0003238700000000, -0.0000327800000000 ] - [ 0.0000729700000000, -0.0000041400000000, -0.0002329400000000 ] - [ -0.0002927500000000, -0.0004308800000000, -0.0003370200000000 ] - [ -0.0000416500000000, -0.0001774600000000, 0.0001292500000000 ] - [ -0.0002902100000000, 0.0004309900000000, -0.0003284500000000 ] - [ 0.0003818600000000, 0.0004686500000000, 0.0005071400000000 ] - [ 0.0002185000000000, -0.0003334900000000, 0.0000652600000000 ] - [ 0.0000272100000000, 0.0000663000000000, -0.0000504800000000 ] - [ 0.0000452400000000, 0.0000339800000000, 0.0000656600000000 ] - [ 0.0003387200000000, 0.0001575100000000, -0.0000798100000000 ] - [ -0.0001223000000000, -0.0003825700000000, -0.0002864300000000 ] - [ -0.0000512200000000, 0.0000573500000000, 0.0000337800000000 ] - [ -0.0000431000000000, -0.0000609100000000, 0.0000323300000000 ] - [ 0.0002571900000000, -0.0004246500000000, 0.0003281500000000 ] - [ -0.0001163600000000, -0.0000081400000000, 0.0002561900000000 ] - [ -0.0003153400000000, -0.0001135900000000, 0.0000283300000000 ] - [ 0.0005110400000000, 0.0002568300000000, -0.0001601100000000 ] - [ 0.0001541900000000, -0.0002140000000000, 0.0000411400000000 ] - [ -0.0005416000000000, -0.0000918800000000, 0.0002290700000000 ] - [ -0.0001996900000000, 0.0002788900000000, -0.0000615100000000 ] - [ 0.0007117200000000, -0.0007380900000000, 0.0011336600000000 ] - [ -0.0001391200000000, -0.0002481600000000, 0.0001649600000000 ] - [ 0.0002498300000000, -0.0004960100000000, 0.0005785100000000 ] - [ -0.0004829800000000, 0.0000265800000000, -0.0002197200000000 ] - [ 0.0009948600000000, 0.0000315400000000, 0.0006979100000000 ] - [ -0.0003595400000000, 0.0000354400000000, -0.0001841700000000 ] - [ -0.0006032100000000, -0.0000650600000000, 0.0001040500000000 ] - [ -0.0002759400000000, 0.0001200900000000, 0.0008393600000000 ] - [ 0.0007729600000000, 0.0000568800000000, -0.0001303700000000 ] - [ -0.0007506500000000, 0.0000675700000000, -0.0001600100000000 ] - [ -0.0009334400000000, -0.0001862100000000, 0.0003753400000000 ] - [ -0.0004881200000000, 0.0005389300000000, -0.0014830300000000 ] - [ 0.0004723200000000, -0.0000305700000000, 0.0002142600000000 ] - [ -0.0003898300000000, -0.0001727400000000, 0.0002493600000000 ] - [ 0.0001914400000000, -0.0002866300000000, 0.0000108500000000 ] - [ -0.0001029800000000, -0.0000242900000000, 0.0000339900000000 ] - [ 0.0006315900000000, 0.0000266700000000, -0.0001587000000000 ] - [ 0.0003312900000000, 0.0002367800000000, -0.0000675100000000 ] - [ -0.0004252100000000, -0.0006177800000000, 0.0002438200000000 ] - [ 0.0005420000000000, 0.0000168700000000, 0.0002597500000000 ]- atom: 27 displacement: [ 0.0099986890339478, 0.0000000000000000, -0.0001619185054627 ] forces: - [ 0.0014712300000000, 0.0012021700000000, 0.0006801700000000 ] - [ 0.0000686700000000, 0.0000773300000000, 0.0000300300000000 ] - [ 0.0000077900000000, -0.0000626700000000, 0.0000431800000000 ] - [ -0.0001084300000000, 0.0000897200000000, -0.0000347600000000 ] - [ 0.0009318500000000, 0.0010401800000000, 0.0001767700000000 ] - [ 0.0012776600000000, -0.0010757400000000, 0.0014038800000000 ] - [ -0.0001100900000000, -0.0000490600000000, 0.0003517000000000 ] - [ -0.0000661800000000, -0.0000391100000000, -0.0003608700000000 ] - [ -0.0004224800000000, -0.0000523100000000, 0.0001442500000000 ] - [ 0.0012181900000000, -0.0021177600000000, 0.0016740700000000 ] - [ -0.0000114000000000, 0.0003377100000000, -0.0007035000000000 ] - [ -0.0000793200000000, 0.0000017600000000, 0.0002483100000000 ] - [ 0.0000246300000000, 0.0003547600000000, 0.0007965800000000 ] - [ 0.0003834200000000, -0.0001211500000000, -0.0001639000000000 ] - [ 0.0001321200000000, 0.0003747200000000, 0.0002742400000000 ] - [ -0.0000428900000000, 0.0001903100000000, 0.0002052400000000 ] - [ 0.0002955000000000, -0.0026363900000000, 0.0018092700000000 ] - [ -0.0000049800000000, 0.0004257800000000, -0.0001730200000000 ] - [ 0.0002435700000000, -0.0003821700000000, -0.0008167900000000 ] - [ 0.0510267600000000, 0.0021802400000000, -0.0439159200000000 ] - [ 0.0000107900000000, 0.0001641100000000, -0.0001425700000000 ] - [ 0.0003591000000000, -0.0002224500000000, -0.0001446400000000 ] - [ 0.0001768600000000, 0.0002911500000000, 0.0001923200000000 ] - [ -0.0091407400000000, -0.0008842100000000, -0.0061151500000000 ] - [ -0.0003768100000000, 0.0002811500000000, 0.0001315100000000 ] - [ 0.0000851900000000, 0.0000115900000000, -0.0003179500000000 ] - [ -0.0688621300000000, -0.0339325300000000, 0.0356363500000000 ] - [ 0.0358140600000000, 0.0294707400000000, 0.0136962200000000 ] - [ -0.0003006800000000, 0.0004201500000000, -0.0003884800000000 ] - [ 0.0003227000000000, 0.0003887300000000, 0.0003605200000000 ] - [ 0.0005784500000000, 0.0001335500000000, -0.0002951500000000 ] - [ 0.0009372700000000, 0.0000485900000000, -0.0011391600000000 ] - [ -0.0001430300000000, -0.0000860300000000, -0.0002706400000000 ] - [ -0.0142243600000000, 0.0052782400000000, -0.0016525500000000 ] - [ -0.0000273800000000, -0.0007326600000000, 0.0001605100000000 ] - [ -0.0004063500000000, -0.0006204800000000, 0.0002039600000000 ] - [ 0.0000053700000000, -0.0000124700000000, -0.0000335800000000 ] - [ -0.0000654900000000, -0.0003738100000000, 0.0003206800000000 ] - [ -0.0002761600000000, 0.0003010100000000, 0.0002358200000000 ] - [ -0.0003735900000000, -0.0000999600000000, -0.0000077700000000 ] - [ 0.0001310500000000, 0.0003112700000000, 0.0004123300000000 ] - [ -0.0001635500000000, -0.0003174900000000, -0.0000526700000000 ] - [ 0.0000138700000000, 0.0003020300000000, -0.0007026100000000 ] - [ -0.0000613500000000, -0.0000105600000000, 0.0001831400000000 ] - [ -0.0000277100000000, 0.0003171500000000, 0.0007025000000000 ] - [ -0.0002375400000000, -0.0002348500000000, 0.0000002600000000 ] - [ 0.0001203100000000, 0.0003910700000000, 0.0002183200000000 ] - [ -0.0000772100000000, 0.0001853800000000, 0.0001752200000000 ] - [ 0.0001156400000000, -0.0003992600000000, 0.0002139700000000 ] - [ -0.0001168500000000, 0.0003931800000000, -0.0001812200000000 ] - [ 0.0005014900000000, 0.0002031200000000, -0.0007553600000000 ] - [ 0.0000340500000000, -0.0002882200000000, 0.0007373100000000 ] - [ 0.0000615300000000, 0.0001931500000000, -0.0000967000000000 ] - [ 0.0003834100000000, -0.0001685900000000, -0.0001129500000000 ] - [ 0.0001546500000000, 0.0003254400000000, 0.0000425400000000 ] - [ 0.0000543300000000, 0.0000069800000000, -0.0002382600000000 ] - [ -0.0001823500000000, 0.0003282200000000, -0.0000145700000000 ] - [ 0.0001007800000000, -0.0000041000000000, -0.0002030300000000 ] - [ -0.0003339500000000, -0.0004304700000000, -0.0003472400000000 ] - [ -0.0000436000000000, -0.0001879000000000, 0.0001120700000000 ] - [ -0.0002488300000000, 0.0004296000000000, -0.0003220700000000 ] - [ 0.0002804500000000, 0.0004345000000000, 0.0003191000000000 ] - [ 0.0004899500000000, -0.0004144100000000, 0.0001664000000000 ] - [ 0.0000399500000000, -0.0000398900000000, -0.0000793900000000 ] - [ 0.0000402800000000, -0.0000503100000000, -0.0000189800000000 ] - [ 0.0003340500000000, 0.0001426800000000, -0.0000736400000000 ] - [ 0.0002051600000000, -0.0000985900000000, -0.0002365400000000 ] - [ -0.0000499900000000, 0.0000609000000000, 0.0000756900000000 ] - [ -0.0000391400000000, -0.0000666600000000, -0.0000300100000000 ] - [ 0.0004763900000000, -0.0004950000000000, 0.0003305000000000 ] - [ 0.0000543500000000, -0.0001239300000000, 0.0002268400000000 ] - [ -0.0003572900000000, -0.0001682800000000, 0.0000853200000000 ] - [ 0.0004101400000000, 0.0000657100000000, -0.0002611000000000 ] - [ -0.0004371700000000, -0.0000166000000000, -0.0001212300000000 ] - [ -0.0006176500000000, 0.0000324000000000, 0.0002238100000000 ] - [ -0.0001320600000000, 0.0003170900000000, -0.0001282000000000 ] - [ -0.0000359900000000, -0.0002430800000000, 0.0002532400000000 ] - [ -0.0002231300000000, -0.0002712400000000, 0.0000429600000000 ] - [ -0.0001972500000000, -0.0003007900000000, 0.0000887500000000 ] - [ -0.0004651800000000, 0.0001006100000000, -0.0003029000000000 ] - [ 0.0008722400000000, -0.0008909700000000, -0.0010774800000000 ] - [ 0.0001449200000000, 0.0002821700000000, -0.0002321100000000 ] - [ -0.0006003600000000, -0.0000420900000000, 0.0000719100000000 ] - [ 0.0005354900000000, 0.0003096900000000, -0.0006489300000000 ] - [ 0.0006442800000000, -0.0000316700000000, -0.0000913100000000 ] - [ -0.0007572700000000, 0.0001006500000000, -0.0003112800000000 ] - [ -0.0009827300000000, 0.0001544600000000, -0.0000088100000000 ] - [ -0.0002370700000000, 0.0001955200000000, -0.0002060300000000 ] - [ 0.0004613600000000, -0.0000235600000000, 0.0001730500000000 ] - [ -0.0006629300000000, 0.0001233500000000, -0.0000768900000000 ] - [ 0.0001847500000000, -0.0002593100000000, -0.0000805900000000 ] - [ -0.0004931600000000, -0.0000650700000000, -0.0002904300000000 ] - [ 0.0006533800000000, 0.0000280300000000, -0.0002212300000000 ] - [ 0.0002242100000000, 0.0003180500000000, 0.0001577600000000 ] - [ -0.0007822900000000, -0.0000059200000000, 0.0001274500000000 ] - [ 0.0005124600000000, 0.0000336700000000, 0.0002841100000000 ]- atom: 27 displacement: [ -0.0099986890339478, 0.0000000000000000, 0.0001619185054627 ] forces: - [ -0.0014557800000000, -0.0013724700000000, -0.0006936300000000 ] - [ -0.0000697100000000, 0.0000927400000000, -0.0000299300000000 ] - [ -0.0000052300000000, -0.0001090400000000, -0.0000422000000000 ] - [ 0.0001094800000000, 0.0000801100000000, 0.0000349200000000 ] - [ -0.0009301200000000, -0.0010539500000000, -0.0001885500000000 ] - [ -0.0012388400000000, 0.0010884700000000, -0.0014062300000000 ] - [ 0.0001126900000000, 0.0000470700000000, -0.0003453200000000 ] - [ 0.0000766400000000, 0.0000376800000000, 0.0003562100000000 ] - [ -0.0002813400000000, 0.0003521000000000, 0.0000237700000000 ] - [ -0.0015943400000000, 0.0015149400000000, -0.0018044200000000 ] - [ 0.0000169300000000, 0.0002985600000000, -0.0007379300000000 ] - [ -0.0000594600000000, -0.0000034200000000, 0.0002158000000000 ] - [ -0.0000299200000000, 0.0002805600000000, 0.0006461600000000 ] - [ -0.0002879000000000, -0.0002315800000000, -0.0001367800000000 ] - [ 0.0001076200000000, 0.0004092500000000, 0.0001594700000000 ] - [ -0.0000443900000000, 0.0001739400000000, 0.0000932400000000 ] - [ -0.0000438700000000, 0.0018795200000000, -0.0013896900000000 ] - [ -0.0002350300000000, 0.0003577500000000, -0.0002601800000000 ] - [ -0.0002356300000000, -0.0002552300000000, -0.0006241700000000 ] - [ -0.0512282800000000, -0.0028982100000000, 0.0465068500000000 ] - [ 0.0000768200000000, 0.0002001600000000, -0.0001570700000000 ] - [ 0.0003446100000000, -0.0000814400000000, -0.0000262200000000 ] - [ 0.0001777700000000, 0.0003492200000000, -0.0000994600000000 ] - [ 0.0092713100000000, 0.0009252100000000, 0.0056875500000000 ] - [ 0.0000207800000000, 0.0003605300000000, -0.0002174000000000 ] - [ 0.0000524700000000, -0.0000139400000000, -0.0001461400000000 ] - [ 0.0683337000000000, 0.0333983800000000, -0.0372569800000000 ] - [ -0.0358121400000000, -0.0301811100000000, -0.0135108100000000 ] - [ -0.0002843700000000, 0.0004200300000000, -0.0002952700000000 ] - [ 0.0002618500000000, 0.0004510900000000, 0.0003223900000000 ] - [ -0.0002260200000000, -0.0007559400000000, 0.0003789900000000 ] - [ -0.0008718800000000, 0.0000548800000000, 0.0010431000000000 ] - [ 0.0002186500000000, -0.0000282500000000, 0.0001893500000000 ] - [ 0.0149965700000000, -0.0049498400000000, 0.0014533300000000 ] - [ -0.0001922700000000, -0.0000557200000000, -0.0005815600000000 ] - [ 0.0003561200000000, 0.0007301100000000, -0.0001303800000000 ] - [ -0.0000809200000000, -0.0001032500000000, 0.0001144900000000 ] - [ 0.0006476500000000, -0.0004683500000000, 0.0003647200000000 ] - [ 0.0001214700000000, -0.0003048600000000, 0.0002233800000000 ] - [ -0.0003313100000000, -0.0002045900000000, 0.0001749300000000 ] - [ -0.0008476600000000, -0.0000079800000000, -0.0002533900000000 ] - [ -0.0001914500000000, -0.0003220900000000, -0.0000403800000000 ] - [ -0.0000089900000000, 0.0003339100000000, -0.0007398100000000 ] - [ -0.0000763000000000, 0.0000090700000000, 0.0002820700000000 ] - [ 0.0000222700000000, 0.0003190800000000, 0.0007392300000000 ] - [ 0.0003225300000000, -0.0001282600000000, -0.0002942800000000 ] - [ 0.0001182200000000, 0.0003923800000000, 0.0002148600000000 ] - [ -0.0000096900000000, 0.0001781900000000, 0.0001238000000000 ] - [ 0.0001237300000000, -0.0003831300000000, 0.0002195300000000 ] - [ -0.0001222100000000, 0.0003907400000000, -0.0002523600000000 ] - [ -0.0005279900000000, -0.0008550000000000, -0.0006959100000000 ] - [ -0.0000385200000000, -0.0003486400000000, 0.0007046000000000 ] - [ 0.0000256700000000, 0.0001711500000000, -0.0002017800000000 ] - [ 0.0003210200000000, -0.0001347400000000, -0.0000549900000000 ] - [ 0.0002005100000000, 0.0003145800000000, 0.0000480400000000 ] - [ 0.0000843100000000, -0.0000064100000000, -0.0002265900000000 ] - [ -0.0001721700000000, 0.0003116700000000, -0.0000789000000000 ] - [ 0.0000373600000000, 0.0000030900000000, -0.0002619200000000 ] - [ -0.0002515800000000, -0.0004087100000000, -0.0003372700000000 ] - [ -0.0000443800000000, -0.0001766400000000, 0.0001872200000000 ] - [ -0.0003362400000000, 0.0004101000000000, -0.0003620600000000 ] - [ 0.0003052000000000, 0.0004051800000000, 0.0003654900000000 ] - [ -0.0001326000000000, -0.0002211500000000, -0.0000729200000000 ] - [ 0.0000359300000000, 0.0001539500000000, -0.0000019600000000 ] - [ 0.0000340200000000, -0.0000645500000000, -0.0000638300000000 ] - [ 0.0003697700000000, 0.0001608400000000, -0.0000934200000000 ] - [ -0.0004477900000000, -0.0006859900000000, -0.0001978600000000 ] - [ -0.0000235300000000, 0.0000535500000000, 0.0000079200000000 ] - [ -0.0000345700000000, -0.0000477500000000, 0.0001142500000000 ] - [ 0.0001137800000000, -0.0003425300000000, 0.0003594000000000 ] - [ -0.0001971200000000, 0.0001267100000000, 0.0002384500000000 ] - [ -0.0003459300000000, -0.0001360000000000, 0.0000819400000000 ] - [ 0.0008502700000000, -0.0001039100000000, -0.0000619900000000 ] - [ -0.0004634600000000, -0.0000461000000000, -0.0003199700000000 ] - [ -0.0006482800000000, 0.0000055000000000, 0.0000953500000000 ] - [ -0.0002620100000000, 0.0002619500000000, 0.0000621500000000 ] - [ 0.0009416500000000, 0.0001858000000000, 0.0001925300000000 ] - [ -0.0001756600000000, -0.0003079100000000, -0.0001034500000000 ] - [ 0.0005908400000000, -0.0002735000000000, -0.0000265900000000 ] - [ -0.0004336000000000, -0.0000387000000000, -0.0001405100000000 ] - [ 0.0003833600000000, 0.0009352200000000, 0.0007691000000000 ] - [ 0.0002461600000000, 0.0002952800000000, 0.0002892800000000 ] - [ -0.0006656800000000, 0.0000101000000000, 0.0002465600000000 ] - [ 0.0003479200000000, -0.0002276800000000, 0.0010678000000000 ] - [ 0.0006166900000000, -0.0000071800000000, -0.0002266800000000 ] - [ -0.0001407500000000, -0.0001658800000000, -0.0001306500000000 ] - [ -0.0002848600000000, -0.0001253300000000, 0.0003381600000000 ] - [ -0.0001581200000000, 0.0003837900000000, 0.0001477100000000 ] - [ 0.0004364400000000, -0.0000385900000000, 0.0002698500000000 ] - [ 0.0002664600000000, -0.0007138700000000, 0.0000184700000000 ] - [ 0.0002072700000000, -0.0003187200000000, 0.0001413800000000 ] - [ -0.0004075500000000, 0.0001275500000000, -0.0001516700000000 ] - [ 0.0006099200000000, 0.0000061800000000, -0.0000984500000000 ] - [ 0.0001691800000000, 0.0002619500000000, -0.0000956500000000 ] - [ -0.0004811800000000, -0.0000315600000000, 0.0001925600000000 ] - [ 0.0003849800000000, 0.0000298800000000, 0.0001592300000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020783000000000, 0.0038070200000000, -0.0018123000000000 ] - [ -0.0000317900000000, 0.0000828300000000, 0.0000130300000000 ] - [ 0.0000881400000000, -0.0000601800000000, 0.0000400400000000 ] - [ 0.0000556100000000, 0.0000794900000000, 0.0000112300000000 ] - [ 0.0001624000000000, -0.0006109800000000, -0.0006599300000000 ] - [ -0.0026455800000000, 0.0006035900000000, -0.0011925800000000 ] - [ 0.0001197100000000, 0.0000181000000000, 0.0000739600000000 ] - [ 0.0002057100000000, 0.0000257800000000, -0.0000092400000000 ] - [ -0.0003418600000000, 0.0001809200000000, 0.0000003600000000 ] - [ -0.0000637600000000, -0.0006974600000000, -0.0059665600000000 ] - [ 0.0000208600000000, 0.0003440800000000, -0.0007308800000000 ] - [ -0.0000790000000000, 0.0000175800000000, 0.0002168600000000 ] - [ -0.0000143200000000, 0.0003553000000000, 0.0007862000000000 ] - [ 0.0002948800000000, -0.0005543800000000, -0.0000877800000000 ] - [ 0.0001011600000000, 0.0003934700000000, 0.0001718900000000 ] - [ -0.0000183700000000, 0.0001847600000000, 0.0001157100000000 ] - [ -0.0001023000000000, 0.0012894100000000, 0.0030189200000000 ] - [ -0.0002429400000000, 0.0003783700000000, -0.0002792700000000 ] - [ -0.0000108300000000, -0.0001990600000000, -0.0006926000000000 ] - [ 0.0018045700000000, 0.0152838900000000, -0.0113597100000000 ] - [ 0.0000728100000000, 0.0001802500000000, -0.0001670600000000 ] - [ 0.0004052700000000, -0.0001283200000000, -0.0001393400000000 ] - [ 0.0002245700000000, 0.0003393300000000, 0.0000761400000000 ] - [ -0.0104059800000000, 0.0198511200000000, -0.0011418700000000 ] - [ -0.0003593700000000, 0.0001679200000000, 0.0001943600000000 ] - [ 0.0000907800000000, 0.0000178500000000, -0.0002627100000000 ] - [ -0.0335742400000000, -0.0947227800000000, -0.0096230000000000 ] - [ 0.0319803500000000, 0.0542605700000000, 0.0244352400000000 ] - [ -0.0002939700000000, 0.0004105500000000, -0.0003187200000000 ] - [ 0.0002628800000000, 0.0004295100000000, 0.0003227700000000 ] - [ 0.0002555600000000, -0.0005188100000000, 0.0001020000000000 ] - [ 0.0000801900000000, 0.0001178300000000, -0.0005087400000000 ] - [ 0.0002401400000000, -0.0000722600000000, 0.0001467300000000 ] - [ 0.0055597200000000, 0.0015113300000000, -0.0001683500000000 ] - [ -0.0003686800000000, -0.0003635600000000, -0.0000977800000000 ] - [ 0.0020504100000000, -0.0027146300000000, 0.0030016000000000 ] - [ 0.0000128300000000, -0.0001331200000000, -0.0000303300000000 ] - [ 0.0002445900000000, -0.0003550600000000, 0.0003273600000000 ] - [ 0.0000971300000000, 0.0005746100000000, 0.0004418300000000 ] - [ -0.0004002200000000, -0.0002080300000000, 0.0000511000000000 ] - [ -0.0005358500000000, 0.0002478300000000, 0.0001903700000000 ] - [ -0.0001887800000000, -0.0003253900000000, -0.0000636100000000 ] - [ -0.0000097200000000, 0.0003097300000000, -0.0007407300000000 ] - [ -0.0000374800000000, -0.0000126200000000, 0.0002291800000000 ] - [ 0.0000055600000000, 0.0003290600000000, 0.0007238000000000 ] - [ -0.0003319500000000, -0.0002668700000000, 0.0003335000000000 ] - [ 0.0001111100000000, 0.0003859000000000, 0.0002267500000000 ] - [ -0.0000354300000000, 0.0001781300000000, 0.0001493700000000 ] - [ 0.0001039300000000, -0.0003811700000000, 0.0002254000000000 ] - [ -0.0001501900000000, 0.0003987100000000, -0.0002296400000000 ] - [ 0.0003812000000000, -0.0003073700000000, -0.0009932600000000 ] - [ 0.0000226600000000, -0.0003173700000000, 0.0007308100000000 ] - [ 0.0000425200000000, 0.0001596500000000, -0.0000769800000000 ] - [ 0.0003488800000000, -0.0001471600000000, -0.0000662400000000 ] - [ 0.0001778700000000, 0.0003243600000000, 0.0000174700000000 ] - [ 0.0000854300000000, -0.0000146500000000, -0.0002467400000000 ] - [ -0.0001819400000000, 0.0003098200000000, -0.0000821000000000 ] - [ 0.0000666000000000, 0.0000034700000000, -0.0002430600000000 ] - [ -0.0003049700000000, -0.0004026400000000, -0.0003451800000000 ] - [ -0.0000298600000000, -0.0001908700000000, 0.0001443800000000 ] - [ -0.0003039100000000, 0.0004117700000000, -0.0003494500000000 ] - [ 0.0003089300000000, 0.0004502000000000, 0.0003482900000000 ] - [ 0.0004237600000000, -0.0002609900000000, 0.0001144000000000 ] - [ 0.0000906100000000, 0.0000483000000000, -0.0001361500000000 ] - [ 0.0000545300000000, -0.0000509400000000, -0.0000364400000000 ] - [ 0.0003471000000000, 0.0001573100000000, -0.0000881400000000 ] - [ 0.0003436000000000, -0.0002026200000000, -0.0001673700000000 ] - [ -0.0000231400000000, 0.0000546900000000, 0.0000500200000000 ] - [ -0.0000276800000000, -0.0000559200000000, 0.0000732300000000 ] - [ 0.0003694300000000, -0.0005701700000000, 0.0002551400000000 ] - [ 0.0000179700000000, 0.0001152700000000, 0.0002612000000000 ] - [ -0.0003397300000000, -0.0001568500000000, 0.0000838800000000 ] - [ 0.0007610900000000, -0.0010330900000000, -0.0002737000000000 ] - [ -0.0004842200000000, -0.0000222900000000, -0.0002120700000000 ] - [ -0.0006865900000000, -0.0000105100000000, 0.0001737400000000 ] - [ -0.0002241200000000, 0.0002875200000000, -0.0000388800000000 ] - [ 0.0006410300000000, 0.0002205400000000, 0.0003214400000000 ] - [ -0.0002558000000000, -0.0002867700000000, -0.0000040800000000 ] - [ 0.0000654800000000, 0.0000774900000000, 0.0000937000000000 ] - [ -0.0004669100000000, 0.0000021800000000, -0.0002556100000000 ] - [ 0.0002773900000000, -0.0000516200000000, 0.0002441300000000 ] - [ 0.0004112600000000, 0.0002746600000000, 0.0002301600000000 ] - [ -0.0006512300000000, -0.0000154500000000, 0.0001500000000000 ] - [ 0.0018463600000000, -0.0000056700000000, 0.0012326000000000 ] - [ 0.0005954600000000, -0.0000207200000000, -0.0001591200000000 ] - [ -0.0004468600000000, -0.0000497500000000, -0.0002264200000000 ] - [ -0.0003383300000000, 0.0006206400000000, -0.0000324700000000 ] - [ -0.0001820000000000, 0.0003118300000000, 0.0000378700000000 ] - [ 0.0004081600000000, -0.0000391200000000, 0.0002083300000000 ] - [ 0.0001588100000000, -0.0001996800000000, -0.0001526700000000 ] - [ 0.0001699700000000, -0.0002896800000000, -0.0000045900000000 ] - [ -0.0005027500000000, 0.0000562200000000, -0.0001831800000000 ] - [ 0.0006040000000000, 0.0000173900000000, -0.0001723700000000 ] - [ 0.0001605800000000, 0.0002819500000000, 0.0000089600000000 ] - [ -0.0005888400000000, 0.0000509900000000, 0.0002173500000000 ] - [ 0.0003716000000000, 0.0000355100000000, 0.0002062100000000 ]- atom: 27 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020804800000000, -0.0040053600000000, 0.0018160700000000 ] - [ 0.0000320500000000, 0.0000870400000000, -0.0000137500000000 ] - [ -0.0000911700000000, -0.0001104100000000, -0.0000409700000000 ] - [ -0.0000558800000000, 0.0000899700000000, -0.0000113500000000 ] - [ -0.0001539600000000, 0.0005879600000000, 0.0006561600000000 ] - [ 0.0026339500000000, -0.0005926900000000, 0.0011808200000000 ] - [ -0.0001228700000000, -0.0000161200000000, -0.0000807400000000 ] - [ -0.0002107100000000, -0.0000247800000000, 0.0000123600000000 ] - [ -0.0003611100000000, 0.0001248500000000, 0.0001661200000000 ] - [ -0.0003005900000000, 0.0000625200000000, 0.0058608500000000 ] - [ -0.0000150400000000, 0.0002918400000000, -0.0007118900000000 ] - [ -0.0000583100000000, -0.0000184700000000, 0.0002479400000000 ] - [ 0.0000084000000000, 0.0002792400000000, 0.0006554000000000 ] - [ -0.0002079700000000, 0.0001774500000000, -0.0002089600000000 ] - [ 0.0001377700000000, 0.0003900000000000, 0.0002596100000000 ] - [ -0.0000688600000000, 0.0001799100000000, 0.0001824100000000 ] - [ 0.0002930400000000, -0.0021087500000000, -0.0025782900000000 ] - [ 0.0000021100000000, 0.0004058500000000, -0.0001539900000000 ] - [ 0.0000158300000000, -0.0004367100000000, -0.0007532300000000 ] - [ -0.0017374600000000, -0.0158648700000000, 0.0125699100000000 ] - [ 0.0000142000000000, 0.0001840500000000, -0.0001317700000000 ] - [ 0.0002984600000000, -0.0001756200000000, -0.0000276500000000 ] - [ 0.0001306600000000, 0.0003006900000000, 0.0000142500000000 ] - [ 0.0105343000000000, -0.0201161500000000, 0.0005590100000000 ] - [ 0.0000056800000000, 0.0004719500000000, -0.0002884600000000 ] - [ 0.0000468500000000, -0.0000190100000000, -0.0002028100000000 ] - [ 0.0341287600000000, 0.0969543800000000, 0.0111467800000000 ] - [ -0.0332328700000000, -0.0574768800000000, -0.0260245400000000 ] - [ -0.0002908800000000, 0.0004279800000000, -0.0003665100000000 ] - [ 0.0003223200000000, 0.0004094200000000, 0.0003621400000000 ] - [ 0.0000984400000000, -0.0001289600000000, -0.0000060600000000 ] - [ -0.0000057600000000, -0.0000017500000000, 0.0004268100000000 ] - [ -0.0001662300000000, -0.0000418100000000, -0.0002305100000000 ] - [ -0.0048595600000000, -0.0011482600000000, 0.0000063700000000 ] - [ 0.0001287000000000, -0.0004137900000000, -0.0003367300000000 ] - [ -0.0021017700000000, 0.0028236400000000, -0.0028948900000000 ] - [ -0.0000874300000000, 0.0000185300000000, 0.0001155200000000 ] - [ 0.0003359600000000, -0.0004790200000000, 0.0003567500000000 ] - [ -0.0002239700000000, -0.0005681500000000, 0.0000280900000000 ] - [ -0.0003043200000000, -0.0000978100000000, 0.0001154100000000 ] - [ -0.0001685300000000, 0.0000561500000000, -0.0000244800000000 ] - [ -0.0001662600000000, -0.0003154700000000, -0.0000278600000000 ] - [ 0.0000164800000000, 0.0003248800000000, -0.0007018800000000 ] - [ -0.0001006300000000, 0.0000120800000000, 0.0002366200000000 ] - [ -0.0000123200000000, 0.0003053200000000, 0.0007184400000000 ] - [ 0.0004238500000000, -0.0000877500000000, -0.0006312200000000 ] - [ 0.0001282000000000, 0.0003980200000000, 0.0002052900000000 ] - [ -0.0000516700000000, 0.0001853200000000, 0.0001482800000000 ] - [ 0.0001361300000000, -0.0004028300000000, 0.0002071700000000 ] - [ -0.0000888900000000, 0.0003852800000000, -0.0002037900000000 ] - [ -0.0003687600000000, -0.0003290000000000, -0.0004444000000000 ] - [ -0.0000286000000000, -0.0003169800000000, 0.0007114700000000 ] - [ 0.0000452500000000, 0.0002051800000000, -0.0002216600000000 ] - [ 0.0003561500000000, -0.0001572000000000, -0.0001017600000000 ] - [ 0.0001786600000000, 0.0003166300000000, 0.0000739200000000 ] - [ 0.0000524400000000, 0.0000158600000000, -0.0002183100000000 ] - [ -0.0001735000000000, 0.0003311700000000, -0.0000088400000000 ] - [ 0.0000709600000000, -0.0000038500000000, -0.0002219300000000 ] - [ -0.0002794500000000, -0.0004365500000000, -0.0003399200000000 ] - [ -0.0000570800000000, -0.0001735500000000, 0.0001535300000000 ] - [ -0.0002807700000000, 0.0004271100000000, -0.0003357300000000 ] - [ 0.0002756900000000, 0.0003874400000000, 0.0003369500000000 ] - [ -0.0000674900000000, -0.0003795400000000, -0.0000206400000000 ] - [ -0.0000153600000000, 0.0000649400000000, 0.0000508600000000 ] - [ 0.0000191800000000, -0.0000636300000000, -0.0000470400000000 ] - [ 0.0003570300000000, 0.0001468800000000, -0.0000787300000000 ] - [ -0.0005888100000000, -0.0005843900000000, -0.0002674500000000 ] - [ -0.0000507100000000, 0.0000596700000000, 0.0000326600000000 ] - [ -0.0000462900000000, -0.0000585900000000, 0.0000094100000000 ] - [ 0.0002164000000000, -0.0002666100000000, 0.0004294200000000 ] - [ -0.0001562200000000, -0.0001191000000000, 0.0002038600000000 ] - [ -0.0003646300000000, -0.0001479400000000, 0.0000825100000000 ] - [ 0.0005051100000000, 0.0009941500000000, -0.0000472900000000 ] - [ -0.0004145600000000, -0.0000424900000000, -0.0002330500000000 ] - [ -0.0005763200000000, 0.0000485500000000, 0.0001433300000000 ] - [ -0.0001690800000000, 0.0002908500000000, -0.0000243300000000 ] - [ 0.0002616900000000, -0.0002784800000000, 0.0001228900000000 ] - [ -0.0001376200000000, -0.0002934100000000, -0.0000574200000000 ] - [ 0.0003287900000000, -0.0006490400000000, -0.0000359100000000 ] - [ -0.0004339400000000, 0.0000578500000000, -0.0001856600000000 ] - [ 0.0009743700000000, 0.0000983700000000, -0.0005491600000000 ] - [ -0.0000169900000000, 0.0003044300000000, -0.0001648900000000 ] - [ -0.0006131800000000, -0.0000178500000000, 0.0001720300000000 ] - [ -0.0009393900000000, 0.0000640100000000, -0.0007821100000000 ] - [ 0.0006699500000000, -0.0000137100000000, -0.0001610800000000 ] - [ -0.0004523700000000, -0.0000149400000000, -0.0002157300000000 ] - [ -0.0009231800000000, -0.0005956500000000, 0.0003574900000000 ] - [ -0.0002129400000000, 0.0002680400000000, -0.0000962100000000 ] - [ 0.0004923100000000, -0.0000234100000000, 0.0002370600000000 ] - [ -0.0005555600000000, -0.0003734300000000, 0.0000877500000000 ] - [ 0.0002254600000000, -0.0002904800000000, 0.0000690100000000 ] - [ -0.0004036600000000, 0.0000063700000000, -0.0002631700000000 ] - [ 0.0006611200000000, 0.0000162900000000, -0.0001452900000000 ] - [ 0.0002342600000000, 0.0002974200000000, 0.0000525800000000 ] - [ -0.0006762400000000, -0.0000813100000000, 0.0001016600000000 ] - [ 0.0005312500000000, 0.0000270100000000, 0.0002370800000000 ]- atom: 27 displacement: [ -0.0020666810454366, 0.0000000000000000, 0.0097841110713459 ] forces: - [ -0.0008655300000000, -0.0001634400000000, -0.0020250100000000 ] - [ 0.0000775200000000, 0.0000889000000000, 0.0000300400000000 ] - [ -0.0000624800000000, -0.0001025700000000, 0.0000144700000000 ] - [ -0.0000312800000000, 0.0000790600000000, -0.0000149800000000 ] - [ -0.0005901400000000, -0.0003052400000000, 0.0011076400000000 ] - [ 0.0009520800000000, -0.0003487200000000, 0.0001068100000000 ] - [ -0.0002849700000000, -0.0000177100000000, 0.0000158800000000 ] - [ -0.0000743300000000, -0.0000104700000000, -0.0001182900000000 ] - [ -0.0002005300000000, 0.0001913900000000, -0.0000091400000000 ] - [ -0.0000089200000000, 0.0018729800000000, -0.0000440100000000 ] - [ 0.0000114900000000, 0.0002981400000000, -0.0006945000000000 ] - [ -0.0000794100000000, 0.0000172400000000, 0.0002443500000000 ] - [ 0.0000175500000000, 0.0002534000000000, 0.0006792100000000 ] - [ 0.0002532500000000, -0.0000619400000000, -0.0000699800000000 ] - [ 0.0001340700000000, 0.0003735700000000, 0.0002003300000000 ] - [ 0.0000291500000000, 0.0002054600000000, 0.0001467100000000 ] - [ 0.0014574200000000, -0.0035330300000000, -0.0014688400000000 ] - [ -0.0002396400000000, 0.0003598900000000, -0.0003846000000000 ] - [ -0.0000410600000000, -0.0002522700000000, -0.0006877900000000 ] - [ -0.0625467500000000, 0.0017768600000000, 0.0782893900000000 ] - [ 0.0000497100000000, 0.0001806000000000, -0.0001566500000000 ] - [ 0.0003423700000000, -0.0000605600000000, -0.0001455600000000 ] - [ 0.0002765600000000, 0.0002900400000000, 0.0002323300000000 ] - [ -0.0079017500000000, 0.0086047800000000, 0.0000685600000000 ] - [ -0.0000531400000000, 0.0004655400000000, 0.0001451900000000 ] - [ 0.0000993400000000, 0.0000694000000000, -0.0004147100000000 ] - [ 0.0490861700000000, -0.0032858700000000, -0.1196595100000000 ] - [ 0.0060491000000000, 0.0028422200000000, 0.0187847500000000 ] - [ -0.0003343900000000, 0.0003955500000000, -0.0003274800000000 ] - [ 0.0003030300000000, 0.0004059800000000, 0.0003058000000000 ] - [ -0.0005508500000000, -0.0002338400000000, 0.0003100500000000 ] - [ -0.0013382400000000, -0.0003407200000000, 0.0007929600000000 ] - [ 0.0001482300000000, -0.0000133900000000, -0.0000222900000000 ] - [ 0.0168582100000000, -0.0120790300000000, 0.0246804700000000 ] - [ -0.0000125600000000, -0.0002644000000000, -0.0002373000000000 ] - [ -0.0014923700000000, 0.0025167500000000, -0.0004357800000000 ] - [ -0.0001454100000000, -0.0001914600000000, 0.0000240700000000 ] - [ 0.0003437400000000, -0.0004151800000000, 0.0003517300000000 ] - [ 0.0000605200000000, -0.0001128800000000, 0.0004969100000000 ] - [ -0.0003430700000000, -0.0001822500000000, 0.0000557500000000 ] - [ -0.0003006900000000, 0.0001096900000000, 0.0001615100000000 ] - [ -0.0001652100000000, -0.0003290400000000, -0.0000375600000000 ] - [ 0.0000089300000000, 0.0003119300000000, -0.0006923200000000 ] - [ -0.0000820400000000, -0.0000084700000000, 0.0002205500000000 ] - [ -0.0000084900000000, 0.0003134900000000, 0.0007102900000000 ] - [ 0.0005880500000000, -0.0003828400000000, 0.0000010000000000 ] - [ 0.0001133100000000, 0.0003920100000000, 0.0002094000000000 ] - [ -0.0000557200000000, 0.0001835700000000, 0.0001502800000000 ] - [ 0.0001290600000000, -0.0004020800000000, 0.0002043900000000 ] - [ -0.0001055800000000, 0.0003926800000000, -0.0002064900000000 ] - [ -0.0004220500000000, 0.0001173000000000, -0.0008751900000000 ] - [ -0.0000107100000000, -0.0002985600000000, 0.0007217600000000 ] - [ 0.0000584000000000, 0.0001887400000000, -0.0001687600000000 ] - [ 0.0003597700000000, -0.0001577700000000, -0.0000942500000000 ] - [ 0.0001691700000000, 0.0003249800000000, 0.0000619700000000 ] - [ 0.0000641300000000, 0.0000018400000000, -0.0002414500000000 ] - [ -0.0001850800000000, 0.0003219000000000, -0.0000336100000000 ] - [ 0.0000770900000000, -0.0000037700000000, -0.0002189500000000 ] - [ -0.0002868000000000, -0.0004192000000000, -0.0003203800000000 ] - [ -0.0000462300000000, -0.0001961000000000, 0.0001469700000000 ] - [ -0.0002802000000000, 0.0004234800000000, -0.0003346000000000 ] - [ 0.0002712300000000, 0.0004213900000000, 0.0003306300000000 ] - [ 0.0000970900000000, -0.0004767200000000, -0.0000888700000000 ] - [ -0.0000182600000000, 0.0002014300000000, -0.0001785800000000 ] - [ 0.0000275600000000, -0.0000564000000000, -0.0000294600000000 ] - [ 0.0003476300000000, 0.0001615300000000, -0.0000941100000000 ] - [ 0.0000969900000000, -0.0004438600000000, -0.0003137200000000 ] - [ -0.0000423700000000, 0.0000548600000000, 0.0000488400000000 ] - [ -0.0000291400000000, -0.0000574500000000, 0.0000313600000000 ] - [ 0.0002359600000000, -0.0003142700000000, -0.0000387300000000 ] - [ 0.0002089700000000, 0.0000835000000000, 0.0002231200000000 ] - [ -0.0003653900000000, -0.0001599400000000, 0.0000800100000000 ] - [ 0.0006242800000000, 0.0002645200000000, -0.0001758000000000 ] - [ -0.0004131400000000, -0.0000244300000000, -0.0001869100000000 ] - [ -0.0006220500000000, 0.0000113100000000, 0.0001830100000000 ] - [ -0.0001533400000000, 0.0002877900000000, -0.0000126700000000 ] - [ 0.0005039000000000, -0.0000992800000000, -0.0000096000000000 ] - [ -0.0001931300000000, -0.0002814000000000, -0.0000114800000000 ] - [ 0.0006259800000000, -0.0004880700000000, -0.0003512500000000 ] - [ -0.0002933200000000, 0.0000248000000000, -0.0002038200000000 ] - [ 0.0005909800000000, 0.0004719800000000, 0.0001239100000000 ] - [ 0.0000859500000000, 0.0003149900000000, -0.0000090500000000 ] - [ -0.0005897500000000, 0.0000012100000000, 0.0001561100000000 ] - [ -0.0002195800000000, 0.0001436900000000, 0.0005823400000000 ] - [ 0.0006387900000000, -0.0000148400000000, -0.0001337400000000 ] - [ -0.0005042000000000, -0.0000074600000000, -0.0002154100000000 ] - [ -0.0006096300000000, -0.0000892600000000, 0.0007510100000000 ] - [ -0.0001955800000000, 0.0003697700000000, -0.0001697700000000 ] - [ 0.0004928500000000, -0.0000209100000000, 0.0002183200000000 ] - [ -0.0002034300000000, -0.0004893600000000, 0.0001262000000000 ] - [ 0.0002453800000000, -0.0002776500000000, 0.0000053000000000 ] - [ -0.0003891000000000, 0.0000806500000000, -0.0003212700000000 ] - [ 0.0006867600000000, -0.0000220000000000, -0.0001754100000000 ] - [ 0.0002044200000000, 0.0002965100000000, 0.0000671400000000 ] - [ -0.0005907100000000, -0.0000950200000000, 0.0000165900000000 ] - [ 0.0004755800000000, 0.0000318200000000, 0.0002442100000000 ]- atom: 27 displacement: [ 0.0020666810454366, 0.0000000000000000, -0.0097841110713459 ] forces: - [ 0.0008968000000000, -0.0000075300000000, 0.0019845500000000 ] - [ -0.0000771300000000, 0.0000781400000000, -0.0000294000000000 ] - [ 0.0000617700000000, -0.0000639200000000, -0.0000146800000000 ] - [ 0.0000307500000000, 0.0000879100000000, 0.0000149800000000 ] - [ 0.0005832500000000, 0.0002899100000000, -0.0010913200000000 ] - [ -0.0009608200000000, 0.0003795400000000, -0.0001146100000000 ] - [ 0.0002864900000000, 0.0000180300000000, -0.0000137000000000 ] - [ 0.0000718000000000, 0.0000107400000000, 0.0001165600000000 ] - [ -0.0005058300000000, 0.0001111900000000, 0.0001791500000000 ] - [ -0.0003523600000000, -0.0025427800000000, -0.0000121600000000 ] - [ -0.0000064100000000, 0.0003368900000000, -0.0007465200000000 ] - [ -0.0000596400000000, -0.0000187700000000, 0.0002208700000000 ] - [ -0.0000231800000000, 0.0003828900000000, 0.0007654100000000 ] - [ -0.0001633800000000, -0.0002968800000000, -0.0002289100000000 ] - [ 0.0001030900000000, 0.0004108900000000, 0.0002340100000000 ] - [ -0.0001182100000000, 0.0001589500000000, 0.0001525600000000 ] - [ -0.0012373800000000, 0.0027922000000000, 0.0018597900000000 ] - [ 0.0000008000000000, 0.0004250300000000, -0.0000497700000000 ] - [ 0.0000459100000000, -0.0003857500000000, -0.0007548000000000 ] - [ 0.0599331200000000, -0.0022996500000000, -0.0715384500000000 ] - [ 0.0000388800000000, 0.0001845500000000, -0.0001431300000000 ] - [ 0.0003599900000000, -0.0002444300000000, -0.0000223400000000 ] - [ 0.0000785900000000, 0.0003497000000000, -0.0001385900000000 ] - [ 0.0081009900000000, -0.0086515800000000, -0.0005426300000000 ] - [ -0.0003044700000000, 0.0001706700000000, -0.0002361000000000 ] - [ 0.0000422600000000, -0.0000715200000000, -0.0000515300000000 ] - [ -0.0468718800000000, 0.0030142200000000, 0.1137099100000000 ] - [ -0.0064175800000000, -0.0038276800000000, -0.0187906800000000 ] - [ -0.0002495500000000, 0.0004439900000000, -0.0003561800000000 ] - [ 0.0002820500000000, 0.0004331300000000, 0.0003766100000000 ] - [ 0.0009257500000000, -0.0004037100000000, -0.0002237900000000 ] - [ 0.0014349100000000, 0.0004643800000000, -0.0008918800000000 ] - [ -0.0000764600000000, -0.0001011800000000, -0.0000640200000000 ] - [ -0.0161577500000000, 0.0123367000000000, -0.0244807300000000 ] - [ -0.0002285500000000, -0.0005254400000000, -0.0001961300000000 ] - [ 0.0014036600000000, -0.0023822300000000, 0.0005191700000000 ] - [ 0.0000732400000000, 0.0000776600000000, 0.0000601100000000 ] - [ 0.0002412200000000, -0.0004261900000000, 0.0003321300000000 ] - [ -0.0001934400000000, 0.0001148200000000, -0.0000305800000000 ] - [ -0.0003602800000000, -0.0001239000000000, 0.0001105600000000 ] - [ -0.0003978200000000, 0.0001900300000000, 0.0000064800000000 ] - [ -0.0001889900000000, -0.0003101400000000, -0.0000543500000000 ] - [ -0.0000039800000000, 0.0003229700000000, -0.0007487100000000 ] - [ -0.0000560700000000, 0.0000070800000000, 0.0002444800000000 ] - [ 0.0000027300000000, 0.0003213700000000, 0.0007313200000000 ] - [ -0.0004905400000000, 0.0000220100000000, -0.0002951700000000 ] - [ 0.0001245900000000, 0.0003926200000000, 0.0002232600000000 ] - [ -0.0000328900000000, 0.0001803900000000, 0.0001486100000000 ] - [ 0.0001101300000000, -0.0003823700000000, 0.0002280800000000 ] - [ -0.0001330200000000, 0.0003919200000000, -0.0002262700000000 ] - [ 0.0004294800000000, -0.0007484000000000, -0.0005658600000000 ] - [ 0.0000049800000000, -0.0003368800000000, 0.0007195300000000 ] - [ 0.0000307300000000, 0.0001758600000000, -0.0001286400000000 ] - [ 0.0003443400000000, -0.0001464000000000, -0.0000741300000000 ] - [ 0.0001861800000000, 0.0003144900000000, 0.0000297300000000 ] - [ 0.0000747500000000, -0.0000007200000000, -0.0002239000000000 ] - [ -0.0001700500000000, 0.0003173000000000, -0.0000581400000000 ] - [ 0.0000620700000000, 0.0000029600000000, -0.0002465200000000 ] - [ -0.0002972200000000, -0.0004203100000000, -0.0003628400000000 ] - [ -0.0000421000000000, -0.0001683200000000, 0.0001519200000000 ] - [ -0.0003040100000000, 0.0004158400000000, -0.0003485100000000 ] - [ 0.0003140600000000, 0.0004179300000000, 0.0003528100000000 ] - [ 0.0002590100000000, -0.0001645400000000, 0.0001806600000000 ] - [ 0.0000896400000000, -0.0000829800000000, 0.0000940800000000 ] - [ 0.0000458500000000, -0.0000577400000000, -0.0000541700000000 ] - [ 0.0003554600000000, 0.0001428200000000, -0.0000724400000000 ] - [ -0.0003426300000000, -0.0003463400000000, -0.0001193700000000 ] - [ -0.0000312000000000, 0.0000593300000000, 0.0000350600000000 ] - [ -0.0000435100000000, -0.0000568400000000, 0.0000528900000000 ] - [ 0.0003539600000000, -0.0005173700000000, 0.0007210100000000 ] - [ -0.0003455400000000, -0.0000880600000000, 0.0002398700000000 ] - [ -0.0003373300000000, -0.0001452800000000, 0.0000861400000000 ] - [ 0.0006380400000000, -0.0003254700000000, -0.0001540400000000 ] - [ -0.0004830600000000, -0.0000407500000000, -0.0002566200000000 ] - [ -0.0006418000000000, 0.0000274100000000, 0.0001352400000000 ] - [ -0.0002361500000000, 0.0002942700000000, -0.0000656600000000 ] - [ 0.0003969900000000, 0.0000392500000000, 0.0004500100000000 ] - [ -0.0001962600000000, -0.0003026700000000, -0.0000667000000000 ] - [ -0.0002288500000000, -0.0000952700000000, 0.0004200600000000 ] - [ -0.0006074200000000, 0.0000374600000000, -0.0002411700000000 ] - [ 0.0006588100000000, -0.0004245000000000, -0.0004277800000000 ] - [ 0.0003056800000000, 0.0002651900000000, 0.0000838000000000 ] - [ -0.0006739600000000, -0.0000411700000000, 0.0001616800000000 ] - [ 0.0011307300000000, -0.0000730700000000, -0.0001501500000000 ] - [ 0.0006258200000000, -0.0000253400000000, -0.0001838800000000 ] - [ -0.0003993800000000, -0.0000574000000000, -0.0002289000000000 ] - [ -0.0006640800000000, 0.0001367100000000, -0.0004483900000000 ] - [ -0.0001929500000000, 0.0002148300000000, 0.0000897700000000 ] - [ 0.0004037400000000, -0.0000418300000000, 0.0002248700000000 ] - [ -0.0001874700000000, -0.0001063900000000, -0.0001976600000000 ] - [ 0.0001438600000000, -0.0003048400000000, 0.0000734200000000 ] - [ -0.0005074100000000, -0.0000161200000000, -0.0001249800000000 ] - [ 0.0005771900000000, 0.0000618500000000, -0.0001434600000000 ] - [ 0.0001857200000000, 0.0002871600000000, 0.0000114400000000 ] - [ -0.0006715900000000, 0.0000566600000000, 0.0002988000000000 ] - [ 0.0004217100000000, 0.0000327700000000, 0.0001996300000000 ]- atom: 32 displacement: [ 0.0099986890339478, 0.0000000000000000, -0.0001619185054627 ] forces: - [ 0.0000479100000000, -0.0000207500000000, -0.0000613900000000 ] - [ 0.0000387600000000, 0.0000620600000000, 0.0000752400000000 ] - [ 0.0016134900000000, -0.0000354900000000, 0.0012195100000000 ] - [ 0.0000368100000000, 0.0000861800000000, -0.0000031400000000 ] - [ 0.0000173200000000, 0.0000450000000000, -0.0000428200000000 ] - [ 0.0003257100000000, -0.0001182500000000, 0.0001746800000000 ] - [ 0.0010585400000000, 0.0002028200000000, -0.0001051500000000 ] - [ 0.0012909600000000, 0.0003867300000000, -0.0003343200000000 ] - [ -0.0114537900000000, 0.0118535200000000, 0.0065115600000000 ] - [ -0.0001195400000000, -0.0003547700000000, 0.0000134100000000 ] - [ 0.0000154100000000, 0.0002961100000000, -0.0007167000000000 ] - [ -0.0000684300000000, -0.0000006200000000, 0.0001534100000000 ] - [ 0.0001224200000000, -0.0001164200000000, 0.0002883200000000 ] - [ -0.0009256100000000, -0.0024291400000000, 0.0007098500000000 ] - [ 0.0007274000000000, 0.0007739300000000, 0.0000699200000000 ] - [ 0.0000289000000000, 0.0001757900000000, 0.0002195600000000 ] - [ 0.0001371800000000, -0.0004005400000000, 0.0000263700000000 ] - [ -0.0001108400000000, 0.0004103000000000, -0.0002787000000000 ] - [ 0.0004769100000000, -0.0013401100000000, -0.0029222500000000 ] - [ 0.0008109700000000, -0.0003201100000000, 0.0000614300000000 ] - [ 0.0000232400000000, 0.0001657900000000, -0.0001422400000000 ] - [ -0.0003077500000000, 0.0007544100000000, -0.0004864400000000 ] - [ 0.0001518600000000, 0.0003309400000000, 0.0001423400000000 ] - [ -0.0001838300000000, -0.0001204700000000, -0.0001467000000000 ] - [ 0.0008252400000000, -0.0001772400000000, 0.0002145400000000 ] - [ -0.0000141300000000, 0.0002193900000000, -0.0001933800000000 ] - [ 0.0006083700000000, -0.0003710200000000, -0.0015682800000000 ] - [ 0.0001189500000000, 0.0000623500000000, 0.0005612700000000 ] - [ -0.0004662700000000, 0.0002221500000000, -0.0002632500000000 ] - [ 0.0003342800000000, 0.0004738800000000, 0.0002378100000000 ] - [ 0.0660128000000000, 0.0356554900000000, -0.0307612000000000 ] - [ -0.0984126000000000, -0.0419185100000000, -0.0128973900000000 ] - [ 0.0000348700000000, -0.0000563700000000, -0.0000726600000000 ] - [ 0.0003012500000000, 0.0003024300000000, 0.0000879100000000 ] - [ 0.0476739200000000, -0.0091530100000000, 0.0379456400000000 ] - [ -0.0000223300000000, -0.0000263200000000, 0.0000762200000000 ] - [ -0.0013713400000000, -0.0011203500000000, -0.0002066100000000 ] - [ -0.0001332800000000, -0.0024432100000000, -0.0012178500000000 ] - [ -0.0077665000000000, 0.0094368300000000, 0.0027795800000000 ] - [ -0.0003900600000000, -0.0001676500000000, 0.0000441800000000 ] - [ -0.0003590300000000, 0.0001597100000000, 0.0001062500000000 ] - [ -0.0002325000000000, -0.0002888200000000, -0.0000136500000000 ] - [ 0.0000056000000000, 0.0003121200000000, -0.0007153000000000 ] - [ -0.0000606800000000, -0.0000119000000000, 0.0002273800000000 ] - [ -0.0000049800000000, 0.0003362900000000, 0.0007262900000000 ] - [ 0.0000305000000000, -0.0001997900000000, -0.0001510500000000 ] - [ 0.0001175200000000, 0.0003842200000000, 0.0002251400000000 ] - [ -0.0000425700000000, 0.0001858800000000, 0.0001787400000000 ] - [ 0.0005772800000000, -0.0005057200000000, 0.0003083500000000 ] - [ -0.0001073800000000, 0.0003955100000000, -0.0001989000000000 ] - [ 0.0000138700000000, -0.0003018400000000, -0.0007357600000000 ] - [ 0.0001034000000000, -0.0003124700000000, 0.0008708100000000 ] - [ 0.0000415800000000, 0.0001740500000000, -0.0001352200000000 ] - [ 0.0003508100000000, -0.0001448000000000, -0.0000780600000000 ] - [ 0.0001594100000000, 0.0003264200000000, 0.0000277200000000 ] - [ 0.0001364000000000, -0.0000270300000000, -0.0002128100000000 ] - [ -0.0001788800000000, 0.0003012900000000, -0.0000734400000000 ] - [ 0.0000780700000000, 0.0000087200000000, -0.0002466200000000 ] - [ -0.0002885500000000, -0.0003657800000000, -0.0003927200000000 ] - [ -0.0000686100000000, -0.0003729500000000, 0.0001346300000000 ] - [ -0.0002890900000000, 0.0004039300000000, -0.0003491500000000 ] - [ 0.0002906300000000, 0.0004297500000000, 0.0003478700000000 ] - [ 0.0001718100000000, -0.0003261400000000, 0.0000212200000000 ] - [ 0.0000487600000000, 0.0000602600000000, -0.0000274800000000 ] - [ 0.0000506500000000, -0.0000620900000000, -0.0000353200000000 ] - [ 0.0003480100000000, 0.0001882300000000, -0.0000857900000000 ] - [ -0.0001159100000000, -0.0003925000000000, -0.0002092300000000 ] - [ 0.0000038900000000, -0.0000253900000000, -0.0000878900000000 ] - [ -0.0000254900000000, -0.0000559200000000, 0.0000604500000000 ] - [ 0.0002776500000000, -0.0004348000000000, 0.0003316400000000 ] - [ -0.0000654300000000, 0.0000126200000000, 0.0002218000000000 ] - [ -0.0003443800000000, -0.0001547700000000, 0.0000854300000000 ] - [ 0.0006022700000000, -0.0000101100000000, -0.0001905900000000 ] - [ -0.0008747100000000, -0.0001175800000000, -0.0004353500000000 ] - [ -0.0008304400000000, 0.0001256600000000, 0.0002605300000000 ] - [ -0.0002443500000000, 0.0003157400000000, -0.0001663700000000 ] - [ 0.0004576000000000, -0.0000400200000000, 0.0002219400000000 ] - [ 0.0000763100000000, -0.0003749400000000, 0.0000669200000000 ] - [ 0.0001854100000000, -0.0003060000000000, 0.0000758200000000 ] - [ -0.0007286000000000, 0.0000055000000000, -0.0005393200000000 ] - [ 0.0006455600000000, 0.0000061200000000, -0.0001667500000000 ] - [ 0.0001654900000000, 0.0003005400000000, -0.0000173100000000 ] - [ -0.0008318400000000, 0.0001347400000000, 0.0000768900000000 ] - [ 0.0003581700000000, 0.0000875900000000, 0.0001805300000000 ] - [ 0.0006641000000000, -0.0004325100000000, -0.0002095900000000 ] - [ -0.0005157400000000, -0.0000166100000000, -0.0002506400000000 ] - [ -0.0006969200000000, 0.0000421400000000, 0.0001346400000000 ] - [ -0.0001890000000000, 0.0002779000000000, -0.0000187800000000 ] - [ 0.0004078500000000, -0.0000480100000000, 0.0003228300000000 ] - [ -0.0002454000000000, -0.0002787400000000, -0.0000457900000000 ] - [ 0.0001403900000000, -0.0007173500000000, 0.0012830600000000 ] - [ -0.0004586600000000, 0.0000266300000000, -0.0002131800000000 ] - [ 0.0004884600000000, -0.0001767100000000, -0.0002264600000000 ] - [ 0.0000509700000000, 0.0002941700000000, 0.0001433200000000 ] - [ -0.0006357700000000, -0.0000298800000000, 0.0001630300000000 ] - [ 0.0002992800000000, 0.0000097100000000, 0.0002330200000000 ]- atom: 32 displacement: [ -0.0099986890339478, 0.0000000000000000, 0.0001619185054627 ] forces: - [ -0.0000465800000000, -0.0001465100000000, 0.0000611000000000 ] - [ -0.0000387400000000, 0.0001043100000000, -0.0000743300000000 ] - [ -0.0016210100000000, -0.0001455600000000, -0.0012078400000000 ] - [ -0.0000373500000000, 0.0000796800000000, 0.0000034300000000 ] - [ -0.0000178400000000, -0.0000456100000000, 0.0000407900000000 ] - [ -0.0003273400000000, 0.0001211100000000, -0.0001746500000000 ] - [ -0.0010514000000000, -0.0001984600000000, 0.0000914700000000 ] - [ -0.0012664500000000, -0.0003885400000000, 0.0003255200000000 ] - [ 0.0106608000000000, -0.0115475900000000, -0.0063438900000000 ] - [ -0.0002339800000000, -0.0002843100000000, -0.0001047100000000 ] - [ -0.0000111900000000, 0.0003402000000000, -0.0007242600000000 ] - [ -0.0000712000000000, -0.0000036600000000, 0.0003099300000000 ] - [ -0.0001258400000000, 0.0007621600000000, 0.0011601300000000 ] - [ 0.0010126300000000, 0.0020293800000000, -0.0010253500000000 ] - [ -0.0004911200000000, 0.0000107700000000, 0.0003596800000000 ] - [ -0.0001187900000000, 0.0001901400000000, 0.0000798400000000 ] - [ 0.0000921600000000, -0.0003860100000000, 0.0004021000000000 ] - [ -0.0001284000000000, 0.0003753000000000, -0.0001550200000000 ] - [ -0.0004592600000000, 0.0006485400000000, 0.0014795900000000 ] - [ -0.0008334200000000, -0.0003137600000000, 0.0014012900000000 ] - [ 0.0000659200000000, 0.0001990100000000, -0.0001580800000000 ] - [ 0.0010173100000000, -0.0010598700000000, 0.0003338700000000 ] - [ 0.0002024900000000, 0.0003070800000000, -0.0000493300000000 ] - [ 0.0003342500000000, 0.0001306500000000, -0.0003156400000000 ] - [ -0.0012030400000000, 0.0008318500000000, -0.0003064000000000 ] - [ 0.0001545500000000, -0.0002238500000000, -0.0002720000000000 ] - [ -0.0011966400000000, -0.0004689700000000, 0.0009096700000000 ] - [ -0.0002126700000000, -0.0004468900000000, -0.0002695600000000 ] - [ -0.0001150200000000, 0.0006195700000000, -0.0004201600000000 ] - [ 0.0002496600000000, 0.0003680700000000, 0.0004449000000000 ] - [ -0.0647169000000000, -0.0347464900000000, 0.0298448300000000 ] - [ 0.0974418300000000, 0.0405400000000000, 0.0127905900000000 ] - [ 0.0000375100000000, -0.0000582800000000, -0.0000102300000000 ] - [ 0.0003990500000000, 0.0000013700000000, -0.0002608000000000 ] - [ -0.0476508200000000, 0.0083704800000000, -0.0374035800000000 ] - [ -0.0000474900000000, 0.0001421300000000, 0.0000083900000000 ] - [ 0.0013059800000000, 0.0010067300000000, 0.0003068000000000 ] - [ 0.0006859100000000, 0.0016160500000000, 0.0019006000000000 ] - [ 0.0075747700000000, -0.0094043200000000, -0.0023324700000000 ] - [ -0.0003128100000000, -0.0001357200000000, 0.0001243300000000 ] - [ -0.0003435700000000, 0.0001441100000000, 0.0000612200000000 ] - [ -0.0001219000000000, -0.0003501800000000, -0.0000776400000000 ] - [ -0.0000007600000000, 0.0003238100000000, -0.0007256700000000 ] - [ -0.0000790800000000, 0.0000102800000000, 0.0002378000000000 ] - [ 0.0000003300000000, 0.0002996300000000, 0.0007144000000000 ] - [ 0.0000587500000000, -0.0001655100000000, -0.0001494200000000 ] - [ 0.0001207800000000, 0.0004004800000000, 0.0002074700000000 ] - [ -0.0000458100000000, 0.0001788300000000, 0.0001214500000000 ] - [ -0.0003361400000000, -0.0002784700000000, 0.0001254000000000 ] - [ -0.0001312700000000, 0.0003888600000000, -0.0002342500000000 ] - [ -0.0000095100000000, -0.0003333400000000, -0.0007042800000000 ] - [ -0.0001066800000000, -0.0003224000000000, 0.0005715600000000 ] - [ 0.0000475100000000, 0.0001914700000000, -0.0001645600000000 ] - [ 0.0003526900000000, -0.0001585900000000, -0.0000905000000000 ] - [ 0.0001957200000000, 0.0003123500000000, 0.0000645800000000 ] - [ 0.0000059800000000, 0.0000282600000000, -0.0002507500000000 ] - [ -0.0001756400000000, 0.0003374600000000, -0.0000187900000000 ] - [ 0.0000616100000000, -0.0000103900000000, -0.0002175700000000 ] - [ -0.0002925900000000, -0.0004718700000000, -0.0002900200000000 ] - [ -0.0000204000000000, 0.0000072600000000, 0.0001670000000000 ] - [ -0.0002946000000000, 0.0004365500000000, -0.0003331600000000 ] - [ 0.0002933100000000, 0.0004095000000000, 0.0003351100000000 ] - [ 0.0001829400000000, -0.0003125500000000, 0.0000712200000000 ] - [ 0.0000237000000000, 0.0000540900000000, -0.0000556400000000 ] - [ 0.0000218500000000, -0.0000523500000000, -0.0000481700000000 ] - [ 0.0003550100000000, 0.0001158200000000, -0.0000817500000000 ] - [ -0.0001230200000000, -0.0003916800000000, -0.0002242700000000 ] - [ -0.0000764300000000, 0.0001401600000000, 0.0001699000000000 ] - [ -0.0000468700000000, -0.0000586600000000, 0.0000233300000000 ] - [ 0.0003063000000000, -0.0004045700000000, 0.0003511000000000 ] - [ -0.0000743600000000, -0.0000110400000000, 0.0002422800000000 ] - [ -0.0003583700000000, -0.0001493600000000, 0.0000815600000000 ] - [ 0.0006615900000000, -0.0000282900000000, -0.0001283800000000 ] - [ -0.0000285200000000, 0.0000511600000000, -0.0000083200000000 ] - [ -0.0004369300000000, -0.0000845300000000, 0.0000593400000000 ] - [ -0.0001473000000000, 0.0002652400000000, 0.0000938800000000 ] - [ 0.0004409700000000, -0.0000222500000000, 0.0002225600000000 ] - [ -0.0004485700000000, -0.0002151400000000, -0.0001477600000000 ] - [ 0.0002045000000000, -0.0002764700000000, 0.0000039500000000 ] - [ -0.0001717500000000, 0.0000561800000000, 0.0000968000000000 ] - [ 0.0006183500000000, 0.0000320100000000, -0.0001509000000000 ] - [ 0.0002249300000000, 0.0002831500000000, 0.0000948200000000 ] - [ -0.0004335400000000, -0.0001725800000000, 0.0002426200000000 ] - [ 0.0005350300000000, -0.0000210700000000, 0.0002608700000000 ] - [ 0.0005977100000000, 0.0003877800000000, -0.0001072900000000 ] - [ -0.0003813200000000, -0.0000482300000000, -0.0001923900000000 ] - [ -0.0005668100000000, -0.0000030000000000, 0.0001842800000000 ] - [ -0.0001999100000000, 0.0003055700000000, -0.0000604800000000 ] - [ 0.0004903500000000, -0.0000143800000000, 0.0001231400000000 ] - [ -0.0001450100000000, -0.0003058300000000, -0.0000330200000000 ] - [ 0.0002550700000000, 0.0001273100000000, -0.0011839300000000 ] - [ -0.0004368400000000, 0.0000367100000000, -0.0002295000000000 ] - [ 0.0007744000000000, 0.0002122900000000, -0.0000916200000000 ] - [ 0.0003374200000000, 0.0002900000000000, -0.0000636800000000 ] - [ -0.0006278600000000, -0.0000086300000000, 0.0001557600000000 ] - [ 0.0005950600000000, 0.0000548600000000, 0.0002097600000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000252900000000, -0.0001088300000000, 0.0000074200000000 ] - [ -0.0000160200000000, 0.0000490900000000, 0.0000278400000000 ] - [ 0.0009887500000000, -0.0004136900000000, 0.0009422700000000 ] - [ 0.0000148800000000, 0.0001193900000000, -0.0000465300000000 ] - [ 0.0000146900000000, 0.0000696500000000, -0.0000533600000000 ] - [ -0.0001435800000000, 0.0001312900000000, -0.0000189600000000 ] - [ -0.0000519500000000, -0.0000415900000000, 0.0002176000000000 ] - [ 0.0002631200000000, -0.0008781500000000, -0.0004779700000000 ] - [ -0.0003531800000000, 0.0246795800000000, -0.0003752400000000 ] - [ -0.0001179800000000, -0.0003829800000000, -0.0000370600000000 ] - [ -0.0000014300000000, 0.0002852500000000, -0.0007742900000000 ] - [ -0.0001044300000000, 0.0001861000000000, 0.0003625900000000 ] - [ 0.0000195500000000, 0.0005655500000000, 0.0008060000000000 ] - [ 0.0000188600000000, 0.0009680400000000, 0.0058167000000000 ] - [ 0.0006278800000000, 0.0006223900000000, 0.0000079600000000 ] - [ -0.0000784500000000, 0.0001527900000000, 0.0001849200000000 ] - [ -0.0000103900000000, -0.0002470400000000, -0.0000718100000000 ] - [ -0.0001082100000000, 0.0003054100000000, -0.0002451300000000 ] - [ -0.0006023500000000, 0.0020701900000000, -0.0035554500000000 ] - [ 0.0004889200000000, -0.0003511000000000, 0.0010312400000000 ] - [ -0.0000335700000000, 0.0002482900000000, -0.0001332000000000 ] - [ 0.0004895700000000, 0.0001214100000000, 0.0002951600000000 ] - [ 0.0002216100000000, 0.0003340700000000, -0.0000340300000000 ] - [ -0.0000921800000000, -0.0001171800000000, -0.0000987400000000 ] - [ -0.0005622100000000, 0.0005596400000000, -0.0007288600000000 ] - [ 0.0000267800000000, 0.0001407900000000, -0.0002198400000000 ] - [ -0.0003028000000000, -0.0003610000000000, -0.0007589500000000 ] - [ 0.0000323000000000, -0.0008047100000000, 0.0000472800000000 ] - [ -0.0002662200000000, 0.0004038900000000, -0.0003789900000000 ] - [ 0.0003363100000000, 0.0003450500000000, 0.0002129400000000 ] - [ 0.0409584100000000, 0.0343167800000000, -0.0246880800000000 ] - [ -0.0415529100000000, -0.0722921200000000, 0.0257992600000000 ] - [ 0.0000359000000000, -0.0000586700000000, -0.0000526400000000 ] - [ 0.0000798100000000, 0.0002649900000000, -0.0000811100000000 ] - [ -0.0065040800000000, 0.0163328400000000, -0.0008096700000000 ] - [ 0.0000476800000000, 0.0000872900000000, 0.0000420500000000 ] - [ -0.0011086600000000, -0.0006167100000000, -0.0003467700000000 ] - [ 0.0009310400000000, -0.0031804700000000, -0.0020268300000000 ] - [ 0.0076137800000000, -0.0039716800000000, -0.0004582900000000 ] - [ -0.0003312000000000, -0.0001308600000000, 0.0001119600000000 ] - [ -0.0003345200000000, 0.0001481300000000, 0.0000939800000000 ] - [ -0.0002570100000000, -0.0003108700000000, -0.0000852100000000 ] - [ 0.0000054000000000, 0.0003238400000000, -0.0007136400000000 ] - [ -0.0000669700000000, -0.0000056000000000, 0.0002325500000000 ] - [ 0.0000187900000000, 0.0003208600000000, 0.0007005300000000 ] - [ 0.0000277200000000, -0.0001989900000000, -0.0001511900000000 ] - [ 0.0001234400000000, 0.0003934500000000, 0.0002079100000000 ] - [ -0.0000481400000000, 0.0001751700000000, 0.0001233700000000 ] - [ 0.0003148900000000, -0.0003605300000000, 0.0003519800000000 ] - [ -0.0001074200000000, 0.0003917000000000, -0.0002139700000000 ] - [ -0.0000061500000000, -0.0002956400000000, -0.0007189700000000 ] - [ -0.0000156000000000, -0.0003422800000000, 0.0006805400000000 ] - [ 0.0000498700000000, 0.0001683200000000, -0.0001434300000000 ] - [ 0.0003477300000000, -0.0001571300000000, -0.0000730100000000 ] - [ 0.0001713800000000, 0.0003191700000000, 0.0000475800000000 ] - [ 0.0000463800000000, -0.0000920500000000, -0.0002276300000000 ] - [ -0.0001729300000000, 0.0003212400000000, -0.0000543100000000 ] - [ 0.0000590800000000, -0.0000044600000000, -0.0002227900000000 ] - [ -0.0003886300000000, -0.0004283500000000, -0.0002151600000000 ] - [ -0.0004387300000000, -0.0003468800000000, 0.0002333700000000 ] - [ -0.0003003400000000, 0.0004267000000000, -0.0003434100000000 ] - [ 0.0002837500000000, 0.0004213400000000, 0.0003393300000000 ] - [ 0.0001764000000000, -0.0003301700000000, 0.0000369600000000 ] - [ 0.0000405600000000, 0.0000652700000000, -0.0000371700000000 ] - [ 0.0000420100000000, -0.0000597200000000, -0.0000447500000000 ] - [ 0.0003693000000000, 0.0001661600000000, -0.0000982100000000 ] - [ -0.0001192000000000, -0.0003914900000000, -0.0002128900000000 ] - [ 0.0000452900000000, 0.0000030100000000, 0.0000127200000000 ] - [ -0.0000357600000000, -0.0000513900000000, 0.0000451600000000 ] - [ 0.0002892900000000, -0.0004227100000000, 0.0003428600000000 ] - [ -0.0000702700000000, 0.0000041300000000, 0.0002283100000000 ] - [ -0.0003529700000000, -0.0001524100000000, 0.0000815400000000 ] - [ 0.0006114700000000, -0.0000836700000000, -0.0001666100000000 ] - [ -0.0006710300000000, 0.0002888200000000, 0.0000781500000000 ] - [ -0.0003716300000000, 0.0002965800000000, 0.0000736500000000 ] - [ -0.0002051400000000, 0.0002788900000000, 0.0000103000000000 ] - [ 0.0004338600000000, -0.0000476000000000, 0.0002278700000000 ] - [ -0.0008570300000000, 0.0001305500000000, 0.0000713700000000 ] - [ 0.0001800700000000, -0.0003104300000000, 0.0000693000000000 ] - [ -0.0004680900000000, 0.0000068000000000, -0.0002899000000000 ] - [ 0.0006472700000000, -0.0000026100000000, -0.0001762600000000 ] - [ 0.0002013100000000, 0.0003021800000000, 0.0000399200000000 ] - [ -0.0005583200000000, -0.0001785000000000, 0.0002165500000000 ] - [ 0.0005858500000000, -0.0000448800000000, 0.0002386300000000 ] - [ 0.0005482600000000, 0.0000460200000000, -0.0000879600000000 ] - [ -0.0004624400000000, -0.0000376700000000, -0.0002284700000000 ] - [ -0.0006195500000000, 0.0000272100000000, 0.0001681200000000 ] - [ -0.0001797800000000, 0.0002706400000000, 0.0000081400000000 ] - [ 0.0005018200000000, -0.0000130200000000, 0.0002175100000000 ] - [ -0.0002003400000000, -0.0003340600000000, -0.0000852500000000 ] - [ 0.0001251200000000, -0.0003801600000000, -0.0001975100000000 ] - [ -0.0004411800000000, 0.0000273500000000, -0.0002119300000000 ] - [ 0.0006710000000000, 0.0002131900000000, -0.0001249300000000 ] - [ 0.0001729800000000, 0.0003616800000000, 0.0000855500000000 ] - [ -0.0006344500000000, -0.0000270300000000, 0.0001628400000000 ] - [ 0.0003999800000000, 0.0001089100000000, 0.0002566200000000 ]- atom: 32 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000231200000000, -0.0000576400000000, -0.0000081000000000 ] - [ 0.0000172900000000, 0.0001185500000000, -0.0000267800000000 ] - [ -0.0010169200000000, 0.0002230000000000, -0.0009340100000000 ] - [ -0.0000150400000000, 0.0000477700000000, 0.0000460000000000 ] - [ -0.0000137300000000, -0.0000696300000000, 0.0000534300000000 ] - [ 0.0001364900000000, -0.0001316200000000, 0.0000165500000000 ] - [ 0.0000478900000000, 0.0000502600000000, -0.0002414300000000 ] - [ -0.0002401600000000, 0.0008701400000000, 0.0004832200000000 ] - [ -0.0001220800000000, -0.0242085700000000, 0.0004658400000000 ] - [ -0.0002389800000000, -0.0002545900000000, -0.0000562700000000 ] - [ 0.0000071600000000, 0.0003503500000000, -0.0006682200000000 ] - [ -0.0000361400000000, -0.0001886800000000, 0.0001034400000000 ] - [ -0.0000259100000000, 0.0000606600000000, 0.0006269200000000 ] - [ 0.0000491700000000, -0.0013691000000000, -0.0061567400000000 ] - [ -0.0003895000000000, 0.0001670700000000, 0.0004090700000000 ] - [ -0.0000090400000000, 0.0002122200000000, 0.0001140300000000 ] - [ 0.0002479600000000, -0.0005398300000000, 0.0005068100000000 ] - [ -0.0001296500000000, 0.0004808100000000, -0.0001892100000000 ] - [ 0.0006207900000000, -0.0026436300000000, 0.0021259800000000 ] - [ -0.0004885000000000, -0.0002865300000000, 0.0004037700000000 ] - [ 0.0001243000000000, 0.0001161900000000, -0.0001674600000000 ] - [ 0.0002080700000000, -0.0004164400000000, -0.0004660500000000 ] - [ 0.0001343600000000, 0.0003041900000000, 0.0001265300000000 ] - [ 0.0002345900000000, 0.0001218800000000, -0.0003660300000000 ] - [ 0.0002115100000000, 0.0000684500000000, 0.0006326100000000 ] - [ 0.0001100100000000, -0.0001390800000000, -0.0002453900000000 ] - [ -0.0002814200000000, -0.0004785600000000, 0.0000666300000000 ] - [ -0.0001179200000000, 0.0004460600000000, 0.0002569100000000 ] - [ -0.0003209100000000, 0.0004321700000000, -0.0003024800000000 ] - [ 0.0002476700000000, 0.0004945100000000, 0.0004710600000000 ] - [ -0.0392168200000000, -0.0335858100000000, 0.0233111400000000 ] - [ 0.0401109000000000, 0.0708838800000000, -0.0241697500000000 ] - [ 0.0000367800000000, -0.0000555600000000, -0.0000302000000000 ] - [ 0.0006250100000000, 0.0000404000000000, -0.0000837800000000 ] - [ 0.0062567300000000, -0.0171142400000000, 0.0001830500000000 ] - [ -0.0001192400000000, 0.0000249500000000, 0.0000408200000000 ] - [ 0.0010330000000000, 0.0004923000000000, 0.0004443300000000 ] - [ -0.0003447400000000, 0.0023601400000000, 0.0027124300000000 ] - [ -0.0078217100000000, 0.0039409800000000, 0.0009739600000000 ] - [ -0.0003716500000000, -0.0001732400000000, 0.0000557300000000 ] - [ -0.0003691400000000, 0.0001565900000000, 0.0000729000000000 ] - [ -0.0000998700000000, -0.0003290800000000, -0.0000063600000000 ] - [ 0.0000006600000000, 0.0003106900000000, -0.0007281000000000 ] - [ -0.0000718100000000, 0.0000049100000000, 0.0002338300000000 ] - [ -0.0000241700000000, 0.0003138400000000, 0.0007400800000000 ] - [ 0.0000612300000000, -0.0001664000000000, -0.0001476900000000 ] - [ 0.0001142600000000, 0.0003919400000000, 0.0002239100000000 ] - [ -0.0000405600000000, 0.0001893000000000, 0.0001749700000000 ] - [ -0.0000720000000000, -0.0004250000000000, 0.0000808400000000 ] - [ -0.0001305500000000, 0.0003932300000000, -0.0002187100000000 ] - [ 0.0000119600000000, -0.0003384500000000, -0.0007220700000000 ] - [ 0.0000101400000000, -0.0002907300000000, 0.0007601600000000 ] - [ 0.0000394800000000, 0.0001970300000000, -0.0001549800000000 ] - [ 0.0003558800000000, -0.0001470000000000, -0.0000943200000000 ] - [ 0.0001846800000000, 0.0003205500000000, 0.0000436500000000 ] - [ 0.0000926000000000, 0.0000899800000000, -0.0002364000000000 ] - [ -0.0001823100000000, 0.0003182300000000, -0.0000375100000000 ] - [ 0.0000793600000000, 0.0000039300000000, -0.0002428900000000 ] - [ -0.0001968200000000, -0.0004096100000000, -0.0004668000000000 ] - [ 0.0003446900000000, -0.0000185900000000, 0.0000665100000000 ] - [ -0.0002842300000000, 0.0004120900000000, -0.0003402700000000 ] - [ 0.0003008500000000, 0.0004169900000000, 0.0003448300000000 ] - [ 0.0001790000000000, -0.0003093800000000, 0.0000544400000000 ] - [ 0.0000327600000000, 0.0000490000000000, -0.0000465100000000 ] - [ 0.0000310700000000, -0.0000545700000000, -0.0000388200000000 ] - [ 0.0003341900000000, 0.0001378900000000, -0.0000687200000000 ] - [ -0.0001188900000000, -0.0003937300000000, -0.0002197200000000 ] - [ -0.0001175900000000, 0.0001112500000000, 0.0000691600000000 ] - [ -0.0000371300000000, -0.0000626600000000, 0.0000391200000000 ] - [ 0.0002949500000000, -0.0004156900000000, 0.0003410500000000 ] - [ -0.0000683900000000, -0.0000034800000000, 0.0002373300000000 ] - [ -0.0003500300000000, -0.0001525400000000, 0.0000851200000000 ] - [ 0.0006535700000000, 0.0000441000000000, -0.0001513100000000 ] - [ -0.0002428700000000, -0.0003431000000000, -0.0005171400000000 ] - [ -0.0008957500000000, -0.0002595400000000, 0.0002439500000000 ] - [ -0.0001852000000000, 0.0003016700000000, -0.0000833500000000 ] - [ 0.0004645100000000, -0.0000144900000000, 0.0002157300000000 ] - [ 0.0004671900000000, -0.0007101800000000, -0.0001576700000000 ] - [ 0.0002094200000000, -0.0002718500000000, 0.0000089400000000 ] - [ -0.0004278500000000, 0.0000528300000000, -0.0001476000000000 ] - [ 0.0006171300000000, 0.0000390200000000, -0.0001429300000000 ] - [ 0.0001888900000000, 0.0002815300000000, 0.0000388000000000 ] - [ -0.0007052700000000, 0.0001425000000000, 0.0001064400000000 ] - [ 0.0003144500000000, 0.0001100200000000, 0.0002053000000000 ] - [ 0.0007116100000000, -0.0000820200000000, -0.0002292100000000 ] - [ -0.0004336400000000, -0.0000265700000000, -0.0002140700000000 ] - [ -0.0006442000000000, 0.0000117900000000, 0.0001507200000000 ] - [ -0.0002092200000000, 0.0003119500000000, -0.0000875300000000 ] - [ 0.0003960200000000, -0.0000498100000000, 0.0002285500000000 ] - [ -0.0001883700000000, -0.0002496600000000, 0.0000057100000000 ] - [ 0.0002725600000000, -0.0002072200000000, 0.0002959300000000 ] - [ -0.0004538700000000, 0.0000354800000000, -0.0002307500000000 ] - [ 0.0005939000000000, -0.0001796500000000, -0.0001929300000000 ] - [ 0.0002129500000000, 0.0002235100000000, -0.0000030100000000 ] - [ -0.0006299500000000, -0.0000108600000000, 0.0001560700000000 ] - [ 0.0004932100000000, -0.0000441700000000, 0.0001849500000000 ]- atom: 32 displacement: [ -0.0020666810454366, 0.0000000000000000, 0.0097841110713459 ] forces: - [ -0.0000143600000000, -0.0001071700000000, 0.0000124200000000 ] - [ 0.0002710100000000, 0.0001055500000000, 0.0001253100000000 ] - [ 0.0019559600000000, 0.0027085200000000, 0.0012047600000000 ] - [ -0.0000375000000000, 0.0000954100000000, -0.0000275600000000 ] - [ 0.0001369300000000, -0.0000362800000000, 0.0006134900000000 ] - [ 0.0001327600000000, -0.0000426000000000, -0.0007495500000000 ] - [ -0.0005254500000000, 0.0003503600000000, 0.0010460300000000 ] - [ 0.0001450700000000, -0.0001962900000000, -0.0006183300000000 ] - [ 0.0105217900000000, -0.0172725700000000, -0.0028931300000000 ] - [ -0.0003474700000000, -0.0002834800000000, 0.0000016800000000 ] - [ 0.0000139600000000, 0.0004099800000000, -0.0007283200000000 ] - [ -0.0002172000000000, 0.0000385200000000, 0.0001914300000000 ] - [ 0.0002036300000000, 0.0001675700000000, 0.0005460300000000 ] - [ 0.0009909500000000, -0.0011598400000000, -0.0004130000000000 ] - [ 0.0001079000000000, 0.0003422300000000, 0.0005095900000000 ] - [ 0.0001173300000000, 0.0001363300000000, 0.0000767800000000 ] - [ 0.0000413400000000, -0.0005015800000000, 0.0003280300000000 ] - [ -0.0000699700000000, 0.0003755100000000, -0.0002091900000000 ] - [ 0.0013338000000000, 0.0043723600000000, -0.0016082500000000 ] - [ -0.0003576500000000, -0.0001232100000000, 0.0010727500000000 ] - [ 0.0000466600000000, 0.0001101500000000, -0.0000754800000000 ] - [ -0.0000626700000000, 0.0006183400000000, 0.0000870400000000 ] - [ 0.0001867300000000, 0.0002248000000000, 0.0001154700000000 ] - [ 0.0003316800000000, 0.0002298700000000, -0.0001182300000000 ] - [ 0.0003323600000000, -0.0002130600000000, 0.0009930300000000 ] - [ 0.0000042500000000, -0.0000306200000000, -0.0003369200000000 ] - [ -0.0015500300000000, -0.0008869300000000, 0.0005339600000000 ] - [ -0.0002622700000000, -0.0002144900000000, -0.0001696200000000 ] - [ -0.0004780600000000, 0.0002774400000000, -0.0003848400000000 ] - [ 0.0002108200000000, 0.0003384400000000, 0.0003316400000000 ] - [ -0.0409147700000000, -0.0150308500000000, 0.0346944600000000 ] - [ 0.0046935800000000, 0.0325130400000000, -0.1036190200000000 ] - [ 0.0000068900000000, -0.0000455300000000, 0.0000075000000000 ] - [ 0.0004649700000000, -0.0000290800000000, -0.0002462300000000 ] - [ 0.0275841700000000, -0.0150910800000000, 0.0476229600000000 ] - [ -0.0000049300000000, 0.0000739600000000, -0.0000028900000000 ] - [ 0.0000034700000000, -0.0002216200000000, 0.0006998100000000 ] - [ 0.0005388700000000, -0.0028707600000000, 0.0002127800000000 ] - [ -0.0041114900000000, 0.0102052800000000, 0.0211811400000000 ] - [ -0.0003203300000000, -0.0001302600000000, 0.0001203800000000 ] - [ -0.0003255500000000, 0.0001375900000000, 0.0000700100000000 ] - [ -0.0001187800000000, -0.0002770600000000, -0.0000749500000000 ] - [ 0.0000381600000000, 0.0002954400000000, -0.0006897700000000 ] - [ -0.0001109400000000, -0.0000298500000000, 0.0001901200000000 ] - [ -0.0000067600000000, 0.0003276700000000, 0.0006849500000000 ] - [ 0.0000330400000000, -0.0001779500000000, -0.0001054100000000 ] - [ 0.0001114100000000, 0.0003838300000000, 0.0002205000000000 ] - [ -0.0000721900000000, 0.0001736400000000, 0.0001644400000000 ] - [ -0.0001642100000000, -0.0005430800000000, 0.0000461400000000 ] - [ -0.0001149800000000, 0.0003903800000000, -0.0002106500000000 ] - [ -0.0000121700000000, -0.0003050800000000, -0.0007464600000000 ] - [ -0.0000902300000000, -0.0003682800000000, 0.0007925000000000 ] - [ 0.0000887200000000, 0.0001746500000000, -0.0001831900000000 ] - [ 0.0003757000000000, -0.0001619700000000, -0.0000819600000000 ] - [ 0.0001614900000000, 0.0003420100000000, -0.0000176700000000 ] - [ -0.0000491200000000, 0.0001554500000000, -0.0003242700000000 ] - [ -0.0001823300000000, 0.0003230200000000, -0.0000609100000000 ] - [ 0.0000985200000000, -0.0000019700000000, -0.0002107700000000 ] - [ -0.0003314300000000, -0.0005213400000000, -0.0004755700000000 ] - [ 0.0004668800000000, 0.0001111000000000, -0.0003424700000000 ] - [ -0.0002697600000000, 0.0004175900000000, -0.0003235400000000 ] - [ 0.0002211700000000, 0.0004476700000000, 0.0003158100000000 ] - [ 0.0001772300000000, -0.0003169100000000, 0.0000235100000000 ] - [ 0.0000469200000000, 0.0000608500000000, -0.0000537200000000 ] - [ 0.0000403600000000, -0.0000529800000000, 0.0000293400000000 ] - [ 0.0003490700000000, 0.0001070700000000, -0.0000429700000000 ] - [ -0.0001336100000000, -0.0004111100000000, -0.0002107400000000 ] - [ -0.0001681100000000, 0.0001019900000000, 0.0002541400000000 ] - [ -0.0000206500000000, -0.0000544200000000, 0.0000258200000000 ] - [ 0.0003275600000000, -0.0004240400000000, 0.0003584000000000 ] - [ -0.0000330600000000, 0.0000029700000000, 0.0002462000000000 ] - [ -0.0003697600000000, -0.0001856300000000, 0.0001162400000000 ] - [ 0.0005668600000000, -0.0001105200000000, 0.0000084700000000 ] - [ -0.0008676600000000, 0.0002115100000000, 0.0005783400000000 ] - [ -0.0006560700000000, 0.0000745300000000, 0.0002155900000000 ] - [ -0.0001572100000000, 0.0002701600000000, -0.0000987200000000 ] - [ 0.0004318600000000, -0.0000099600000000, 0.0000784900000000 ] - [ -0.0005380000000000, -0.0001078600000000, 0.0004901400000000 ] - [ 0.0002060900000000, -0.0002603900000000, -0.0001116000000000 ] - [ -0.0003103300000000, -0.0001513600000000, -0.0004675900000000 ] - [ 0.0006136100000000, 0.0000186600000000, -0.0002941000000000 ] - [ 0.0000319200000000, 0.0003867200000000, 0.0002875300000000 ] - [ -0.0003051500000000, -0.0003118800000000, 0.0002431700000000 ] - [ 0.0006024400000000, 0.0000583300000000, 0.0005373600000000 ] - [ 0.0005334800000000, -0.0000305100000000, -0.0000452400000000 ] - [ -0.0005261500000000, -0.0000136100000000, -0.0001482600000000 ] - [ -0.0006680600000000, 0.0000419900000000, 0.0002972400000000 ] - [ -0.0002490600000000, 0.0003365900000000, -0.0002638200000000 ] - [ 0.0004410900000000, -0.0000455700000000, 0.0000497300000000 ] - [ -0.0001925500000000, -0.0002742000000000, 0.0001096400000000 ] - [ -0.0000252000000000, -0.0000134800000000, -0.0009322900000000 ] - [ -0.0005397600000000, 0.0000246600000000, -0.0003289200000000 ] - [ 0.0006798300000000, 0.0001939400000000, -0.0002474900000000 ] - [ 0.0001667500000000, 0.0003381900000000, 0.0001807800000000 ] - [ -0.0006645800000000, -0.0000328600000000, 0.0000449300000000 ] - [ 0.0003605300000000, 0.0000793300000000, 0.0003055900000000 ]- atom: 32 displacement: [ 0.0020666810454366, 0.0000000000000000, -0.0097841110713459 ] forces: - [ 0.0000142700000000, -0.0000640600000000, -0.0000121800000000 ] - [ -0.0002747800000000, 0.0000639100000000, -0.0001270400000000 ] - [ -0.0019829100000000, -0.0028770400000000, -0.0011884000000000 ] - [ 0.0000357800000000, 0.0000738500000000, 0.0000280700000000 ] - [ -0.0001378800000000, 0.0000379100000000, -0.0006186400000000 ] - [ -0.0001429000000000, 0.0000462100000000, 0.0007530600000000 ] - [ 0.0005202000000000, -0.0003423300000000, -0.0010779000000000 ] - [ -0.0001444400000000, 0.0001968100000000, 0.0006058900000000 ] - [ -0.0113450600000000, 0.0177292600000000, 0.0029701600000000 ] - [ -0.0000104700000000, -0.0003565600000000, -0.0000955200000000 ] - [ -0.0000102500000000, 0.0002247200000000, -0.0007161100000000 ] - [ 0.0000829300000000, -0.0000424400000000, 0.0002761500000000 ] - [ -0.0002142300000000, 0.0004666500000000, 0.0008966300000000 ] - [ -0.0008631800000000, 0.0007972700000000, 0.0001774500000000 ] - [ 0.0001296400000000, 0.0004421300000000, -0.0000841900000000 ] - [ -0.0002086100000000, 0.0002275300000000, 0.0002235000000000 ] - [ 0.0001937200000000, -0.0002813900000000, 0.0001049400000000 ] - [ -0.0001715200000000, 0.0004104900000000, -0.0002248500000000 ] - [ -0.0013347800000000, -0.0050320300000000, 0.0001673900000000 ] - [ 0.0003543500000000, -0.0005102300000000, 0.0003734900000000 ] - [ 0.0000395300000000, 0.0002545700000000, -0.0002219300000000 ] - [ 0.0007699600000000, -0.0009317900000000, -0.0002599600000000 ] - [ 0.0001681500000000, 0.0004131700000000, -0.0000255000000000 ] - [ -0.0001889000000000, -0.0002326900000000, -0.0003458400000000 ] - [ -0.0007056800000000, 0.0008500400000000, -0.0011332200000000 ] - [ 0.0001349200000000, 0.0000313400000000, -0.0001246700000000 ] - [ 0.0009291400000000, 0.0000441300000000, -0.0012118100000000 ] - [ 0.0001725800000000, -0.0001532600000000, 0.0004665300000000 ] - [ -0.0001040200000000, 0.0005638300000000, -0.0002991700000000 ] - [ 0.0003762600000000, 0.0005032500000000, 0.0003553400000000 ] - [ 0.0424486900000000, 0.0157844100000000, -0.0353568800000000 ] - [ -0.0073113800000000, -0.0332506500000000, 0.1012149700000000 ] - [ 0.0000678000000000, -0.0000677000000000, -0.0000893900000000 ] - [ 0.0002390000000000, 0.0003319000000000, 0.0000790000000000 ] - [ -0.0263267600000000, 0.0136108600000000, -0.0451657000000000 ] - [ -0.0000663100000000, 0.0000409100000000, 0.0000867200000000 ] - [ -0.0000707300000000, 0.0001097000000000, -0.0006129800000000 ] - [ 0.0000600000000000, 0.0020387200000000, 0.0004542600000000 ] - [ 0.0041009600000000, -0.0101598100000000, -0.0204630600000000 ] - [ -0.0003809400000000, -0.0001735700000000, 0.0000469900000000 ] - [ -0.0003784400000000, 0.0001661700000000, 0.0000967700000000 ] - [ -0.0002374000000000, -0.0003632000000000, -0.0000162600000000 ] - [ -0.0000320200000000, 0.0003399000000000, -0.0007529100000000 ] - [ -0.0000264400000000, 0.0000298300000000, 0.0002767300000000 ] - [ 0.0000000700000000, 0.0003065600000000, 0.0007573300000000 ] - [ 0.0000538700000000, -0.0001867000000000, -0.0001936300000000 ] - [ 0.0001278000000000, 0.0004005800000000, 0.0002113500000000 ] - [ -0.0000145900000000, 0.0001900100000000, 0.0001326800000000 ] - [ 0.0003990500000000, -0.0002438900000000, 0.0003844900000000 ] - [ -0.0001243500000000, 0.0003934100000000, -0.0002225700000000 ] - [ 0.0000176600000000, -0.0003297700000000, -0.0006947500000000 ] - [ 0.0000814200000000, -0.0002666200000000, 0.0006516900000000 ] - [ -0.0000018400000000, 0.0001902200000000, -0.0001149100000000 ] - [ 0.0003285500000000, -0.0001420300000000, -0.0000855700000000 ] - [ 0.0001946400000000, 0.0002979400000000, 0.0001095600000000 ] - [ 0.0001879500000000, -0.0001542700000000, -0.0001414100000000 ] - [ -0.0001727200000000, 0.0003174400000000, -0.0000301100000000 ] - [ 0.0000378400000000, 0.0000014600000000, -0.0002543000000000 ] - [ -0.0002533900000000, -0.0003181100000000, -0.0002083500000000 ] - [ -0.0005506600000000, -0.0004727400000000, 0.0006323400000000 ] - [ -0.0003156300000000, 0.0004221200000000, -0.0003607900000000 ] - [ 0.0003646000000000, 0.0003905300000000, 0.0003696100000000 ] - [ 0.0001777400000000, -0.0003231500000000, 0.0000691700000000 ] - [ 0.0000266900000000, 0.0000535000000000, -0.0000298600000000 ] - [ 0.0000330800000000, -0.0000613600000000, -0.0001132200000000 ] - [ 0.0003561200000000, 0.0001967200000000, -0.0001242900000000 ] - [ -0.0001058000000000, -0.0003727800000000, -0.0002228000000000 ] - [ 0.0000922600000000, 0.0000132500000000, -0.0001691900000000 ] - [ -0.0000536800000000, -0.0000602100000000, 0.0000573900000000 ] - [ 0.0002575300000000, -0.0004147400000000, 0.0003264400000000 ] - [ -0.0001046800000000, -0.0000028200000000, 0.0002196500000000 ] - [ -0.0003342200000000, -0.0001189200000000, 0.0000500300000000 ] - [ 0.0006977000000000, 0.0000707800000000, -0.0003277500000000 ] - [ -0.0000092500000000, -0.0002858400000000, -0.0010382100000000 ] - [ -0.0006046900000000, -0.0000269600000000, 0.0001023600000000 ] - [ -0.0002363800000000, 0.0003075800000000, 0.0000372700000000 ] - [ 0.0004622900000000, -0.0000536400000000, 0.0003641700000000 ] - [ 0.0001351500000000, -0.0004695700000000, -0.0005443100000000 ] - [ 0.0001874000000000, -0.0003197100000000, 0.0001787800000000 ] - [ -0.0005893900000000, 0.0002113900000000, 0.0000310700000000 ] - [ 0.0006498300000000, 0.0000237200000000, -0.0000232900000000 ] - [ 0.0003640400000000, 0.0001926100000000, -0.0002220700000000 ] - [ -0.0009565000000000, 0.0002726900000000, 0.0000828700000000 ] - [ 0.0003016400000000, 0.0000011800000000, -0.0000928700000000 ] - [ 0.0007315600000000, -0.0000180000000000, -0.0002716200000000 ] - [ -0.0003650600000000, -0.0000524200000000, -0.0002931300000000 ] - [ -0.0005932900000000, -0.0000000300000000, 0.0000199600000000 ] - [ -0.0001435600000000, 0.0002415800000000, 0.0002024600000000 ] - [ 0.0004613200000000, -0.0000172000000000, 0.0003991900000000 ] - [ -0.0002002500000000, -0.0003076400000000, -0.0001772900000000 ] - [ 0.0004356400000000, -0.0005680300000000, 0.0010212700000000 ] - [ -0.0003578800000000, 0.0000373800000000, -0.0001137000000000 ] - [ 0.0005853100000000, -0.0001547800000000, -0.0000667700000000 ] - [ 0.0002286500000000, 0.0002410100000000, -0.0001185500000000 ] - [ -0.0005978000000000, -0.0000069500000000, 0.0002746700000000 ] - [ 0.0005403800000000, -0.0000154900000000, 0.0001396100000000 ]- atom: 73 displacement: [ 0.0099986890339478, 0.0000000000000000, -0.0001619185054627 ] forces: - [ 0.0004181300000000, 0.0000941600000000, 0.0002689000000000 ] - [ 0.0005651000000000, 0.0000098300000000, 0.0000201700000000 ] - [ -0.0002089300000000, -0.0000864300000000, -0.0000394300000000 ] - [ -0.0002512900000000, 0.0000828400000000, -0.0000457500000000 ] - [ 0.0007704500000000, -0.0000809700000000, 0.0006621600000000 ] - [ 0.0326396600000000, 0.0392782400000000, -0.0076757000000000 ] - [ -0.0004848300000000, 0.0000259400000000, -0.0002008700000000 ] - [ -0.0008709400000000, 0.0000053300000000, -0.0000961700000000 ] - [ -0.0004519000000000, 0.0001577000000000, 0.0000372200000000 ] - [ -0.0000843900000000, -0.0003294200000000, 0.0000412000000000 ] - [ -0.0000115700000000, 0.0003531400000000, -0.0007189300000000 ] - [ -0.0001443600000000, 0.0000647100000000, 0.0002849700000000 ] - [ -0.0001157800000000, -0.0001167400000000, 0.0006462000000000 ] - [ -0.0000041500000000, -0.0001481700000000, -0.0001393700000000 ] - [ 0.0004043300000000, 0.0005356700000000, 0.0003991900000000 ] - [ 0.0000716100000000, 0.0000573800000000, 0.0000418600000000 ] - [ 0.0006770900000000, 0.0001359800000000, -0.0000221300000000 ] - [ -0.0000998700000000, 0.0003423900000000, -0.0002413200000000 ] - [ 0.0000173700000000, -0.0004009000000000, -0.0007901700000000 ] - [ 0.0001101100000000, -0.0002836000000000, 0.0008093600000000 ] - [ 0.0000456500000000, 0.0002206900000000, -0.0001926000000000 ] - [ 0.0008579700000000, 0.0004434000000000, -0.0007049400000000 ] - [ 0.0002155900000000, 0.0003433800000000, 0.0000783800000000 ] - [ -0.0002747000000000, -0.0002114400000000, 0.0001836000000000 ] - [ 0.0000908300000000, -0.0002360700000000, -0.0000329900000000 ] - [ -0.0000758400000000, 0.0001568100000000, -0.0003285300000000 ] - [ -0.0005112900000000, -0.0002891700000000, -0.0003946700000000 ] - [ 0.0004442900000000, -0.0006612400000000, 0.0000751000000000 ] - [ -0.0000291800000000, 0.0007776800000000, -0.0003277400000000 ] - [ 0.0003059000000000, 0.0003630600000000, 0.0003547200000000 ] - [ 0.0001752700000000, -0.0002436300000000, 0.0001825800000000 ] - [ 0.0000055500000000, 0.0000358400000000, -0.0001187700000000 ] - [ 0.0000493400000000, -0.0000719800000000, -0.0000552800000000 ] - [ 0.0002539800000000, 0.0001368300000000, -0.0000468000000000 ] - [ -0.0001135000000000, -0.0004012800000000, -0.0003055700000000 ] - [ -0.0002288800000000, -0.0000159500000000, 0.0003340600000000 ] - [ -0.0002351100000000, 0.0002091400000000, -0.0000268000000000 ] - [ 0.0003255900000000, -0.0004007300000000, 0.0003920900000000 ] - [ -0.0000427400000000, -0.0000138300000000, 0.0002868700000000 ] - [ -0.0003539100000000, -0.0001534600000000, 0.0000645800000000 ] - [ -0.0001261800000000, 0.0001464900000000, -0.0000224700000000 ] - [ -0.0001653700000000, -0.0003281700000000, -0.0000108500000000 ] - [ 0.0003573900000000, 0.0001663400000000, -0.0009693000000000 ] - [ -0.0005803700000000, -0.0000861300000000, 0.0001832200000000 ] - [ 0.0000441700000000, 0.0002113700000000, 0.0006011800000000 ] - [ 0.0001733900000000, -0.0001952100000000, -0.0001821900000000 ] - [ 0.0001516100000000, 0.0003932300000000, 0.0000791200000000 ] - [ -0.0001034000000000, 0.0002051500000000, 0.0001526200000000 ] - [ 0.0001339000000000, -0.0004230000000000, 0.0002201300000000 ] - [ 0.0001123400000000, 0.0003026700000000, -0.0003771300000000 ] - [ 0.0000036400000000, -0.0004243600000000, -0.0006017600000000 ] - [ -0.0000088100000000, -0.0002857200000000, 0.0007260500000000 ] - [ 0.0006688100000000, -0.0001912700000000, 0.0002964600000000 ] - [ 0.0002372000000000, -0.0001707400000000, -0.0000629700000000 ] - [ 0.0002857300000000, 0.0003395800000000, 0.0001257800000000 ] - [ 0.0000398800000000, 0.0000423500000000, -0.0001967500000000 ] - [ -0.0002126000000000, 0.0004083900000000, 0.0001183900000000 ] - [ 0.0000848400000000, -0.0000061300000000, -0.0001752300000000 ] - [ -0.0002782300000000, -0.0004565400000000, -0.0003323900000000 ] - [ -0.0000489300000000, -0.0001693100000000, 0.0001099900000000 ] - [ -0.0002676900000000, 0.0004474200000000, -0.0002802200000000 ] - [ -0.0000569000000000, 0.0007141800000000, 0.0002852800000000 ] - [ -0.0002227000000000, 0.0000917600000000, 0.0002007000000000 ] - [ 0.0000671300000000, -0.0000263600000000, -0.0001379800000000 ] - [ -0.0001053800000000, -0.0000945600000000, -0.0000225300000000 ] - [ 0.0003576300000000, 0.0001602400000000, -0.0001046700000000 ] - [ -0.0000812500000000, -0.0003516700000000, 0.0001050300000000 ] - [ -0.0000405800000000, 0.0000591900000000, 0.0000095100000000 ] - [ -0.0001008900000000, -0.0000444300000000, -0.0000118500000000 ] - [ 0.0001416400000000, -0.0004606900000000, 0.0003545900000000 ] - [ -0.0001119000000000, 0.0000305400000000, 0.0001191900000000 ] - [ -0.0004556500000000, -0.0001856400000000, 0.0002931400000000 ] - [ -0.0362208600000000, -0.0457785200000000, 0.0086096600000000 ] - [ -0.0001575800000000, -0.0000623400000000, -0.0001593800000000 ] - [ -0.0004712200000000, 0.0000440400000000, 0.0001687600000000 ] - [ -0.0000801300000000, 0.0002797200000000, 0.0000198500000000 ] - [ 0.0002344600000000, -0.0000565200000000, 0.0000390700000000 ] - [ -0.0000383800000000, -0.0002928100000000, -0.0000218400000000 ] - [ 0.0000517500000000, -0.0002431000000000, -0.0001694800000000 ] - [ -0.0003139400000000, 0.0000510100000000, -0.0001723000000000 ] - [ 0.0004721100000000, 0.0000698600000000, -0.0002845400000000 ] - [ -0.0034873200000000, -0.0005969300000000, -0.0002247100000000 ] - [ -0.0005291700000000, -0.0000423600000000, 0.0001891500000000 ] - [ 0.0002624300000000, -0.0082819100000000, 0.0035455900000000 ] - [ 0.0007995400000000, 0.0000226200000000, -0.0001585200000000 ] - [ 0.0079645200000000, 0.0098544400000000, 0.0006627800000000 ] - [ -0.0016472800000000, 0.0017497400000000, -0.0001398500000000 ] - [ -0.0003838200000000, 0.0003222200000000, -0.0001917900000000 ] - [ 0.0005903300000000, -0.0000144300000000, 0.0002822000000000 ] - [ -0.0014287300000000, 0.0034890400000000, -0.0051012400000000 ] - [ 0.0002957600000000, -0.0003021000000000, 0.0000929200000000 ] - [ -0.0006533300000000, 0.0000069700000000, -0.0003506300000000 ] - [ 0.0007314500000000, -0.0000002300000000, -0.0001253200000000 ] - [ 0.0003723200000000, 0.0002852800000000, 0.0000366200000000 ] - [ -0.0008094900000000, -0.0000005300000000, 0.0000424500000000 ] - [ 0.0007034400000000, -0.0000072600000000, 0.0002597300000000 ]- atom: 73 displacement: [ -0.0099986890339478, 0.0000000000000000, 0.0001619185054627 ] forces: - [ -0.0004184800000000, -0.0002594100000000, -0.0002675300000000 ] - [ -0.0005622800000000, 0.0001540700000000, -0.0000219800000000 ] - [ 0.0002091600000000, -0.0000796300000000, 0.0000394200000000 ] - [ 0.0002509500000000, 0.0000841000000000, 0.0000458200000000 ] - [ -0.0007683000000000, 0.0000813800000000, -0.0006588800000000 ] - [ -0.0322338600000000, -0.0392990600000000, 0.0076650700000000 ] - [ 0.0004838300000000, -0.0000259800000000, 0.0002025500000000 ] - [ 0.0008695400000000, -0.0000049400000000, 0.0000947000000000 ] - [ -0.0002528300000000, 0.0001482700000000, 0.0001281600000000 ] - [ -0.0002725100000000, -0.0003103200000000, -0.0001315100000000 ] - [ 0.0000184100000000, 0.0002809300000000, -0.0007215200000000 ] - [ 0.0000033900000000, -0.0000639200000000, 0.0001819200000000 ] - [ 0.0001043200000000, 0.0007435800000000, 0.0007917700000000 ] - [ 0.0000938600000000, -0.0002173800000000, -0.0001589100000000 ] - [ -0.0001631300000000, 0.0002521900000000, 0.0000328600000000 ] - [ -0.0001603300000000, 0.0003072600000000, 0.0002548000000000 ] - [ -0.0004341700000000, -0.0009182800000000, 0.0004566200000000 ] - [ -0.0001391600000000, 0.0004441300000000, -0.0001908800000000 ] - [ -0.0000108200000000, -0.0002325100000000, -0.0006501000000000 ] - [ -0.0001171000000000, -0.0003489200000000, 0.0006330800000000 ] - [ 0.0000442900000000, 0.0001458900000000, -0.0001064200000000 ] - [ -0.0001376400000000, -0.0007319400000000, 0.0005302300000000 ] - [ 0.0001415500000000, 0.0002973400000000, 0.0000125400000000 ] - [ 0.0004125500000000, 0.0002077500000000, -0.0006472200000000 ] - [ -0.0004430900000000, 0.0008648500000000, -0.0000605000000000 ] - [ 0.0002147500000000, -0.0001552700000000, -0.0001379300000000 ] - [ -0.0000714700000000, -0.0005491300000000, -0.0002880100000000 ] - [ -0.0005334800000000, 0.0002939900000000, 0.0002204300000000 ] - [ -0.0005486400000000, 0.0000665800000000, -0.0003594000000000 ] - [ 0.0002764700000000, 0.0004748600000000, 0.0003290100000000 ] - [ 0.0001818200000000, -0.0003963200000000, -0.0000917100000000 ] - [ 0.0000658900000000, 0.0000780600000000, 0.0000345100000000 ] - [ 0.0000222700000000, -0.0000415900000000, -0.0000275700000000 ] - [ 0.0004499800000000, 0.0001685500000000, -0.0001191800000000 ] - [ -0.0001256500000000, -0.0003849300000000, -0.0001259400000000 ] - [ 0.0001568400000000, 0.0001295400000000, -0.0002473600000000 ] - [ 0.0001637500000000, -0.0003180700000000, 0.0001106000000000 ] - [ 0.0002570900000000, -0.0004369300000000, 0.0002920800000000 ] - [ -0.0000966500000000, 0.0000136100000000, 0.0001801800000000 ] - [ -0.0003504300000000, -0.0001515800000000, 0.0001016300000000 ] - [ -0.0005804000000000, 0.0001607400000000, 0.0001880200000000 ] - [ -0.0001912700000000, -0.0003119800000000, -0.0000793100000000 ] - [ -0.0003494900000000, 0.0004676000000000, -0.0004718600000000 ] - [ 0.0004404000000000, 0.0000876100000000, 0.0002855900000000 ] - [ -0.0000514600000000, 0.0004221200000000, 0.0008401700000000 ] - [ -0.0000840400000000, -0.0001702900000000, -0.0001159100000000 ] - [ 0.0000869800000000, 0.0003938900000000, 0.0003530700000000 ] - [ 0.0000139400000000, 0.0001604900000000, 0.0001460800000000 ] - [ 0.0001058500000000, -0.0003627100000000, 0.0002119900000000 ] - [ -0.0003531700000000, 0.0004835800000000, -0.0000558700000000 ] - [ 0.0000026500000000, -0.0002098100000000, -0.0008375200000000 ] - [ 0.0000019300000000, -0.0003472600000000, 0.0007149400000000 ] - [ -0.0005765400000000, 0.0005634700000000, -0.0005983800000000 ] - [ 0.0004683600000000, -0.0001336000000000, -0.0001031000000000 ] - [ 0.0000716300000000, 0.0003010000000000, -0.0000349400000000 ] - [ 0.0001004000000000, -0.0000424700000000, -0.0002694100000000 ] - [ -0.0001439400000000, 0.0002319100000000, -0.0002089400000000 ] - [ 0.0000553600000000, 0.0000070100000000, -0.0002913300000000 ] - [ -0.0003035300000000, -0.0003812700000000, -0.0003509800000000 ] - [ -0.0000405500000000, -0.0001963800000000, 0.0001889400000000 ] - [ -0.0003145100000000, 0.0003910600000000, -0.0004031600000000 ] - [ 0.0006382700000000, 0.0001215700000000, 0.0003974000000000 ] - [ 0.0005757200000000, -0.0007309700000000, -0.0001078800000000 ] - [ 0.0000026200000000, 0.0001393100000000, 0.0000557100000000 ] - [ 0.0001777000000000, -0.0000188600000000, -0.0000613800000000 ] - [ 0.0003467600000000, 0.0001454200000000, -0.0000605500000000 ] - [ -0.0001587800000000, -0.0004345700000000, -0.0005378700000000 ] - [ -0.0000308300000000, 0.0000546900000000, 0.0000741000000000 ] - [ 0.0000298000000000, -0.0000692300000000, 0.0000959800000000 ] - [ 0.0004408400000000, -0.0003756200000000, 0.0003303200000000 ] - [ -0.0000270700000000, -0.0000305000000000, 0.0003485700000000 ] - [ -0.0002490100000000, -0.0001195300000000, -0.0001273800000000 ] - [ 0.0372049200000000, 0.0459059700000000, -0.0089658800000000 ] - [ -0.0007384300000000, -0.0000014200000000, -0.0002821700000000 ] - [ -0.0007917300000000, -0.0000039700000000, 0.0001499200000000 ] - [ -0.0003124300000000, 0.0003007100000000, -0.0000883000000000 ] - [ 0.0006649000000000, -0.0000047000000000, 0.0004031200000000 ] - [ -0.0003520800000000, -0.0002902700000000, -0.0000538400000000 ] - [ 0.0003392700000000, -0.0003380200000000, 0.0002435200000000 ] - [ -0.0005824400000000, 0.0000115400000000, -0.0002694400000000 ] - [ 0.0007908100000000, -0.0000301200000000, -0.0000344400000000 ] - [ 0.0038806500000000, 0.0012390800000000, 0.0003212500000000 ] - [ -0.0007331000000000, 0.0000010900000000, 0.0001287900000000 ] - [ 0.0006273600000000, 0.0082861600000000, -0.0030705400000000 ] - [ 0.0004637900000000, -0.0000634800000000, -0.0001587700000000 ] - [ -0.0090606200000000, -0.0101285400000000, -0.0011384100000000 ] - [ 0.0003960700000000, -0.0016777900000000, 0.0004531500000000 ] - [ -0.0000074400000000, 0.0002598800000000, 0.0001159100000000 ] - [ 0.0003076600000000, -0.0000469700000000, 0.0001603300000000 ] - [ 0.0010758500000000, -0.0040736700000000, 0.0050460500000000 ] - [ 0.0000942900000000, -0.0002804100000000, -0.0000137800000000 ] - [ -0.0002416100000000, 0.0000556000000000, -0.0000907500000000 ] - [ 0.0005318900000000, 0.0000411500000000, -0.0001933100000000 ] - [ 0.0000188500000000, 0.0002981000000000, 0.0000390800000000 ] - [ -0.0004539800000000, -0.0000390900000000, 0.0002756000000000 ] - [ 0.0001922700000000, 0.0000719200000000, 0.0001824300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002089000000000, 0.0002357900000000, 0.0000232900000000 ] - [ 0.0000668500000000, -0.0005198500000000, -0.0002228000000000 ] - [ -0.0000090500000000, -0.0000836700000000, 0.0000076500000000 ] - [ -0.0000780000000000, 0.0000929100000000, -0.0000221300000000 ] - [ 0.0002061200000000, 0.0000393600000000, 0.0002828600000000 ] - [ 0.0384998700000000, 0.1746839300000000, -0.0281265700000000 ] - [ -0.0001001400000000, -0.0000073700000000, 0.0000466400000000 ] - [ -0.0002029000000000, -0.0000041800000000, -0.0001200400000000 ] - [ -0.0002455700000000, 0.0001730000000000, -0.0000070800000000 ] - [ -0.0000825500000000, -0.0003317600000000, -0.0000609600000000 ] - [ -0.0000096700000000, 0.0003259500000000, -0.0007247500000000 ] - [ -0.0001365900000000, 0.0000323500000000, 0.0002618700000000 ] - [ -0.0019857700000000, 0.0007925100000000, 0.0022809100000000 ] - [ 0.0000658700000000, -0.0001833000000000, -0.0001495300000000 ] - [ 0.0003050100000000, 0.0005382100000000, -0.0000285400000000 ] - [ -0.0001475600000000, -0.0000635400000000, 0.0002286900000000 ] - [ 0.0006492700000000, 0.0000426000000000, 0.0003421400000000 ] - [ -0.0001088400000000, 0.0003658700000000, -0.0002605300000000 ] - [ -0.0000689000000000, -0.0002780700000000, -0.0006272000000000 ] - [ -0.0000370900000000, -0.0000293900000000, 0.0012815700000000 ] - [ 0.0000505700000000, 0.0002106700000000, -0.0001614500000000 ] - [ 0.0008058100000000, 0.0002065900000000, -0.0005099900000000 ] - [ 0.0002079300000000, 0.0003553600000000, 0.0000654700000000 ] - [ -0.0002362600000000, 0.0001734200000000, -0.0000929600000000 ] - [ 0.0000075600000000, -0.0011547600000000, -0.0003556700000000 ] - [ -0.0000424600000000, 0.0000597000000000, -0.0002284400000000 ] - [ -0.0002010400000000, -0.0014371500000000, -0.0000206700000000 ] - [ -0.0001160100000000, -0.0003834700000000, -0.0012821000000000 ] - [ 0.0006209800000000, 0.0003403900000000, -0.0006130800000000 ] - [ 0.0003056400000000, 0.0003887600000000, 0.0003383500000000 ] - [ 0.0002509300000000, -0.0003432800000000, -0.0000032000000000 ] - [ 0.0000436400000000, -0.0000063500000000, -0.0001342200000000 ] - [ 0.0000493400000000, -0.0000783600000000, -0.0000392700000000 ] - [ 0.0002445700000000, 0.0002596400000000, -0.0001284700000000 ] - [ -0.0001462400000000, -0.0003670000000000, -0.0001103000000000 ] - [ -0.0001847900000000, -0.0001030600000000, 0.0003082500000000 ] - [ 0.0000710500000000, 0.0002190800000000, 0.0001193900000000 ] - [ 0.0003137500000000, -0.0004203200000000, 0.0003258200000000 ] - [ -0.0000651100000000, -0.0000149800000000, 0.0002220500000000 ] - [ -0.0003617600000000, -0.0001602600000000, 0.0000733000000000 ] - [ -0.0005983700000000, 0.0001491200000000, -0.0000180200000000 ] - [ -0.0001770500000000, -0.0003153300000000, -0.0000503600000000 ] - [ -0.0001025200000000, 0.0003041100000000, -0.0006042100000000 ] - [ 0.0002905600000000, -0.0005602500000000, -0.0004004500000000 ] - [ 0.0000742100000000, 0.0002434500000000, 0.0006120900000000 ] - [ 0.0000042800000000, -0.0001570900000000, -0.0001393900000000 ] - [ 0.0001088800000000, 0.0003633300000000, 0.0001346700000000 ] - [ -0.0000823900000000, 0.0002148600000000, 0.0001585800000000 ] - [ 0.0001212100000000, -0.0004002500000000, 0.0002247900000000 ] - [ -0.0006216000000000, 0.0007063300000000, -0.0009307700000000 ] - [ -0.0001509800000000, -0.0006323500000000, -0.0004628400000000 ] - [ -0.0000057600000000, -0.0003150100000000, 0.0007311800000000 ] - [ -0.0000498900000000, -0.0005070700000000, 0.0012313500000000 ] - [ 0.0002294200000000, -0.0001413300000000, -0.0000252400000000 ] - [ 0.0000700200000000, 0.0003175200000000, 0.0000825800000000 ] - [ 0.0000597800000000, 0.0000072200000000, -0.0002337400000000 ] - [ -0.0002357800000000, 0.0004030000000000, 0.0000245900000000 ] - [ 0.0001015400000000, -0.0000013100000000, -0.0002011300000000 ] - [ -0.0003028600000000, -0.0004243900000000, -0.0003389500000000 ] - [ -0.0000389000000000, -0.0001737300000000, 0.0001350500000000 ] - [ -0.0003009100000000, 0.0004211900000000, -0.0003021100000000 ] - [ 0.0004263400000000, 0.0010304800000000, 0.0002563400000000 ] - [ 0.0007926800000000, -0.0000868500000000, 0.0001403200000000 ] - [ -0.0003780500000000, 0.0001207000000000, -0.0001366700000000 ] - [ 0.0002274100000000, 0.0001407600000000, -0.0001810200000000 ] - [ 0.0003532500000000, 0.0001541000000000, -0.0000703300000000 ] - [ -0.0001078300000000, -0.0004035400000000, -0.0000010800000000 ] - [ -0.0000255000000000, 0.0000492300000000, 0.0000595800000000 ] - [ -0.0000134800000000, -0.0000492300000000, 0.0000703000000000 ] - [ 0.0002791800000000, -0.0003536100000000, 0.0004190200000000 ] - [ -0.0000249400000000, 0.0000492900000000, 0.0002477400000000 ] - [ -0.0003536000000000, -0.0002380100000000, -0.0000225800000000 ] - [ -0.0431502400000000, -0.1984911800000000, 0.0314567100000000 ] - [ -0.0003542100000000, -0.0000233500000000, -0.0001682200000000 ] - [ -0.0006060300000000, 0.0000102000000000, 0.0001864100000000 ] - [ -0.0001625400000000, 0.0002935500000000, -0.0000375100000000 ] - [ 0.0003765900000000, -0.0000599800000000, 0.0001440700000000 ] - [ -0.0001824800000000, -0.0002839900000000, -0.0000070700000000 ] - [ 0.0001568900000000, -0.0002633900000000, -0.0000947000000000 ] - [ -0.0004065300000000, 0.0000411600000000, -0.0002318200000000 ] - [ 0.0005795800000000, 0.0000373600000000, -0.0002019600000000 ] - [ 0.0002602100000000, 0.0090562300000000, 0.0067485300000000 ] - [ -0.0006089300000000, -0.0000185500000000, 0.0001488400000000 ] - [ -0.0047110400000000, 0.0079487100000000, -0.0038901600000000 ] - [ 0.0006740800000000, -0.0000009200000000, -0.0001460500000000 ] - [ 0.0060664700000000, 0.0016531500000000, 0.0002859900000000 ] - [ 0.0010608400000000, 0.0061322200000000, -0.0010655300000000 ] - [ -0.0002343800000000, 0.0002734000000000, -0.0000358500000000 ] - [ 0.0004558700000000, -0.0000245800000000, 0.0002195700000000 ] - [ 0.0023433400000000, 0.0002237600000000, -0.0058160300000000 ] - [ 0.0002111000000000, -0.0002848600000000, 0.0000100800000000 ] - [ -0.0004896100000000, 0.0000298200000000, -0.0002876000000000 ] - [ 0.0006519800000000, 0.0000090500000000, -0.0001699200000000 ] - [ 0.0002442000000000, 0.0002950600000000, 0.0000631700000000 ] - [ -0.0006521500000000, -0.0000567800000000, 0.0000656300000000 ] - [ 0.0005012600000000, 0.0000226100000000, 0.0002358400000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002085700000000, -0.0004010100000000, -0.0000226300000000 ] - [ -0.0000686800000000, 0.0006901000000000, 0.0002295100000000 ] - [ 0.0000090000000000, -0.0000824700000000, -0.0000077200000000 ] - [ 0.0000778500000000, 0.0000730200000000, 0.0000218900000000 ] - [ -0.0002070600000000, -0.0000404200000000, -0.0002812400000000 ] - [ -0.0416736300000000, -0.1858003300000000, 0.0304365600000000 ] - [ 0.0001002600000000, 0.0000068600000000, -0.0000462900000000 ] - [ 0.0002022400000000, 0.0000039500000000, 0.0001195800000000 ] - [ -0.0004585800000000, 0.0001313400000000, 0.0001734000000000 ] - [ -0.0002739900000000, -0.0003073300000000, -0.0000306400000000 ] - [ 0.0000161300000000, 0.0003075000000000, -0.0007160700000000 ] - [ -0.0000041200000000, -0.0000322600000000, 0.0002049600000000 ] - [ 0.0019665100000000, -0.0001329000000000, -0.0008262100000000 ] - [ 0.0000234400000000, -0.0001830400000000, -0.0001488800000000 ] - [ -0.0000678100000000, 0.0002481600000000, 0.0004609000000000 ] - [ 0.0000557800000000, 0.0004277800000000, 0.0000734200000000 ] - [ -0.0004101200000000, -0.0008356800000000, 0.0000968100000000 ] - [ -0.0001306000000000, 0.0004203800000000, -0.0001716900000000 ] - [ 0.0000749200000000, -0.0003559500000000, -0.0008137400000000 ] - [ 0.0000310100000000, -0.0006025800000000, 0.0001644200000000 ] - [ 0.0000390300000000, 0.0001546900000000, -0.0001375100000000 ] - [ -0.0000919400000000, -0.0005078200000000, 0.0003402500000000 ] - [ 0.0001484600000000, 0.0002838100000000, 0.0000253100000000 ] - [ 0.0003765200000000, -0.0001742500000000, -0.0003811500000000 ] - [ -0.0003746700000000, 0.0017918100000000, 0.0002693400000000 ] - [ 0.0001838700000000, -0.0000605200000000, -0.0002376000000000 ] - [ -0.0003820900000000, 0.0005937400000000, -0.0006587000000000 ] - [ 0.0000216700000000, 0.0000347100000000, 0.0015611400000000 ] - [ -0.0011978200000000, 0.0004865400000000, -0.0000775500000000 ] - [ 0.0002766500000000, 0.0004486700000000, 0.0003448100000000 ] - [ 0.0001050800000000, -0.0002975400000000, 0.0000943800000000 ] - [ 0.0000272200000000, 0.0001206300000000, 0.0000500500000000 ] - [ 0.0000217800000000, -0.0000358100000000, -0.0000440500000000 ] - [ 0.0004587600000000, 0.0000462300000000, -0.0000367200000000 ] - [ -0.0000927600000000, -0.0004196100000000, -0.0003224800000000 ] - [ 0.0001127700000000, 0.0002160800000000, -0.0002266000000000 ] - [ -0.0001412600000000, -0.0003370000000000, -0.0000357000000000 ] - [ 0.0002686500000000, -0.0004177900000000, 0.0003577800000000 ] - [ -0.0000751100000000, 0.0000141300000000, 0.0002451900000000 ] - [ -0.0003425400000000, -0.0001451800000000, 0.0000928800000000 ] - [ -0.0001034200000000, 0.0001564700000000, 0.0001836900000000 ] - [ -0.0001795400000000, -0.0003250600000000, -0.0000408500000000 ] - [ 0.0001121500000000, 0.0003252600000000, -0.0008433000000000 ] - [ -0.0004290400000000, 0.0005597900000000, 0.0008583400000000 ] - [ -0.0000808800000000, 0.0003895500000000, 0.0008285800000000 ] - [ 0.0000853900000000, -0.0002089400000000, -0.0001593600000000 ] - [ 0.0001298000000000, 0.0004231500000000, 0.0002967500000000 ] - [ -0.0000073300000000, 0.0001498900000000, 0.0001400200000000 ] - [ 0.0001185200000000, -0.0003863000000000, 0.0002074600000000 ] - [ 0.0003833100000000, 0.0000834800000000, 0.0004968700000000 ] - [ 0.0001595600000000, -0.0000014900000000, -0.0009797700000000 ] - [ -0.0000008700000000, -0.0003187600000000, 0.0007097500000000 ] - [ 0.0001400600000000, 0.0008771800000000, -0.0015038400000000 ] - [ 0.0004751600000000, -0.0001634300000000, -0.0001410700000000 ] - [ 0.0002859100000000, 0.0003227000000000, 0.0000090300000000 ] - [ 0.0000803300000000, -0.0000081100000000, -0.0002328500000000 ] - [ -0.0001210400000000, 0.0002366800000000, -0.0001152300000000 ] - [ 0.0000386000000000, 0.0000019700000000, -0.0002657900000000 ] - [ -0.0002794300000000, -0.0004137900000000, -0.0003447300000000 ] - [ -0.0000506700000000, -0.0001922000000000, 0.0001632600000000 ] - [ -0.0002814100000000, 0.0004165500000000, -0.0003812000000000 ] - [ 0.0001515800000000, -0.0001905300000000, 0.0004278900000000 ] - [ -0.0004366100000000, -0.0005511200000000, -0.0000495900000000 ] - [ 0.0004483900000000, -0.0000085700000000, 0.0000530000000000 ] - [ -0.0001566700000000, -0.0002530900000000, 0.0000964400000000 ] - [ 0.0003507900000000, 0.0001504000000000, -0.0000952500000000 ] - [ -0.0001313300000000, -0.0003830500000000, -0.0004304300000000 ] - [ -0.0000462600000000, 0.0000648700000000, 0.0000240000000000 ] - [ -0.0000583200000000, -0.0000649400000000, 0.0000137300000000 ] - [ 0.0003016800000000, -0.0004840800000000, 0.0002653000000000 ] - [ -0.0001154400000000, -0.0000503300000000, 0.0002192100000000 ] - [ -0.0003497100000000, -0.0000696000000000, 0.0001904100000000 ] - [ 0.0475554400000000, 0.2096919500000000, -0.0340674800000000 ] - [ -0.0005438200000000, -0.0000407100000000, -0.0002740900000000 ] - [ -0.0006579100000000, 0.0000260800000000, 0.0001326800000000 ] - [ -0.0002310700000000, 0.0002851500000000, -0.0000279200000000 ] - [ 0.0005234500000000, -0.0000012600000000, 0.0002990100000000 ] - [ -0.0002079500000000, -0.0002996200000000, -0.0000693400000000 ] - [ 0.0002345200000000, -0.0003172400000000, 0.0001661200000000 ] - [ -0.0004905500000000, 0.0000199900000000, -0.0002096400000000 ] - [ 0.0006835300000000, -0.0000002900000000, -0.0001167900000000 ] - [ 0.0001488900000000, -0.0086248200000000, -0.0068686400000000 ] - [ -0.0006541200000000, -0.0000214500000000, 0.0001696300000000 ] - [ 0.0057785100000000, -0.0079991800000000, 0.0044300900000000 ] - [ 0.0005892400000000, -0.0000381700000000, -0.0001724900000000 ] - [ -0.0070693300000000, -0.0016529400000000, -0.0007565000000000 ] - [ -0.0023298900000000, -0.0060960400000000, 0.0013876300000000 ] - [ -0.0001565500000000, 0.0003077100000000, -0.0000380900000000 ] - [ 0.0004421700000000, -0.0000373800000000, 0.0002230600000000 ] - [ -0.0027593000000000, -0.0007276300000000, 0.0058194600000000 ] - [ 0.0001790200000000, -0.0002975500000000, 0.0000668200000000 ] - [ -0.0004064100000000, 0.0000320000000000, -0.0001542500000000 ] - [ 0.0006116800000000, 0.0000276800000000, -0.0001493100000000 ] - [ 0.0001469500000000, 0.0002870000000000, 0.0000107200000000 ] - [ -0.0006115000000000, 0.0000205200000000, 0.0002534100000000 ] - [ 0.0003955200000000, 0.0000409900000000, 0.0002060400000000 ]- atom: 73 displacement: [ -0.0020666810454366, 0.0000000000000000, 0.0097841110713459 ] forces: - [ 0.0001773900000000, -0.0003714900000000, -0.0004840100000000 ] - [ -0.0000814600000000, 0.0000990200000000, -0.0002356500000000 ] - [ -0.0000205100000000, -0.0000778300000000, -0.0000039400000000 ] - [ 0.0000351400000000, 0.0000832100000000, 0.0000047400000000 ] - [ 0.0003139500000000, 0.0000324500000000, -0.0017221200000000 ] - [ -0.0136425300000000, -0.0350683100000000, 0.0278217100000000 ] - [ -0.0001595300000000, -0.0000195600000000, -0.0003862900000000 ] - [ 0.0002756300000000, -0.0000236800000000, 0.0004194400000000 ] - [ -0.0004454800000000, 0.0001861100000000, 0.0001796900000000 ] - [ 0.0000100100000000, -0.0003775700000000, 0.0000206200000000 ] - [ -0.0000257500000000, 0.0002871900000000, -0.0007527300000000 ] - [ 0.0000440100000000, -0.0000303100000000, 0.0002722300000000 ] - [ 0.0004809600000000, 0.0008331200000000, 0.0020463600000000 ] - [ 0.0001130000000000, -0.0002003600000000, -0.0002198300000000 ] - [ -0.0000374500000000, 0.0002606700000000, 0.0001549700000000 ] - [ 0.0000550800000000, 0.0002994200000000, 0.0000673800000000 ] - [ 0.0000551800000000, -0.0002193300000000, -0.0005754300000000 ] - [ -0.0001409200000000, 0.0004586700000000, -0.0001600900000000 ] - [ 0.0000523800000000, -0.0003636000000000, -0.0007015200000000 ] - [ 0.0000808200000000, -0.0002363400000000, 0.0005615700000000 ] - [ -0.0000180300000000, 0.0001352500000000, -0.0000809200000000 ] - [ -0.0000967100000000, -0.0002850300000000, 0.0001633600000000 ] - [ 0.0001068300000000, 0.0002573000000000, 0.0001186700000000 ] - [ 0.0002937500000000, 0.0001716000000000, 0.0010348600000000 ] - [ -0.0003711500000000, 0.0005771000000000, 0.0001706300000000 ] - [ 0.0000433500000000, -0.0001795300000000, -0.0003250900000000 ] - [ -0.0003420700000000, -0.0005584300000000, -0.0003604800000000 ] - [ 0.0001401300000000, -0.0004377300000000, 0.0002224800000000 ] - [ -0.0012323100000000, -0.0000360700000000, -0.0002681200000000 ] - [ 0.0003504700000000, 0.0004468200000000, 0.0003740100000000 ] - [ 0.0002179600000000, -0.0003305500000000, -0.0000053500000000 ] - [ 0.0000136000000000, 0.0000544000000000, 0.0001355000000000 ] - [ 0.0000225200000000, -0.0000380000000000, -0.0001753500000000 ] - [ 0.0002845300000000, 0.0002355800000000, -0.0000086500000000 ] - [ -0.0001072300000000, -0.0003426200000000, -0.0002643900000000 ] - [ -0.0000753500000000, 0.0000190800000000, 0.0000456100000000 ] - [ 0.0001048100000000, -0.0001939100000000, 0.0001330700000000 ] - [ 0.0001988500000000, -0.0004115100000000, 0.0003093000000000 ] - [ -0.0001449600000000, -0.0000193000000000, 0.0001729600000000 ] - [ -0.0002938300000000, -0.0000846500000000, 0.0000299200000000 ] - [ -0.0006136300000000, 0.0001657000000000, 0.0001668200000000 ] - [ -0.0002040400000000, -0.0003440800000000, 0.0000259700000000 ] - [ 0.0002732600000000, 0.0002284100000000, -0.0013407000000000 ] - [ -0.0001912900000000, 0.0002040000000000, 0.0005872900000000 ] - [ 0.0000124800000000, 0.0003162600000000, 0.0007751000000000 ] - [ 0.0000512600000000, -0.0002284700000000, -0.0001841200000000 ] - [ 0.0001240500000000, 0.0004427500000000, 0.0002172600000000 ] - [ 0.0000239100000000, 0.0001436700000000, 0.0000926100000000 ] - [ 0.0001106700000000, -0.0003536200000000, 0.0002135600000000 ] - [ -0.0002137500000000, 0.0001208600000000, -0.0002791100000000 ] - [ 0.0001296500000000, -0.0000668600000000, -0.0007971600000000 ] - [ -0.0000403800000000, -0.0003357000000000, 0.0006803100000000 ] - [ 0.0002067400000000, 0.0006186600000000, -0.0002784800000000 ] - [ 0.0003227400000000, -0.0001105100000000, -0.0000421900000000 ] - [ 0.0003063300000000, 0.0002986400000000, 0.0001009300000000 ] - [ 0.0001489200000000, -0.0000224500000000, -0.0001939600000000 ] - [ -0.0001216600000000, 0.0002679700000000, -0.0001198900000000 ] - [ -0.0000093800000000, -0.0000138700000000, -0.0002931600000000 ] - [ -0.0002265400000000, -0.0004101600000000, -0.0003034000000000 ] - [ -0.0001044500000000, -0.0002031900000000, 0.0002171400000000 ] - [ -0.0003552200000000, 0.0004278400000000, -0.0003810500000000 ] - [ 0.0001996500000000, 0.0001699900000000, 0.0009089300000000 ] - [ 0.0003790500000000, -0.0005040400000000, 0.0003042600000000 ] - [ -0.0000197700000000, 0.0001435600000000, 0.0000810100000000 ] - [ -0.0000026400000000, -0.0000824400000000, -0.0001494200000000 ] - [ 0.0003965000000000, 0.0001950300000000, -0.0001304500000000 ] - [ 0.0000211900000000, -0.0004447800000000, -0.0004701600000000 ] - [ -0.0000328900000000, 0.0000538600000000, -0.0000665800000000 ] - [ -0.0000441400000000, -0.0000514200000000, 0.0001862500000000 ] - [ 0.0002873200000000, -0.0004671300000000, 0.0001896600000000 ] - [ -0.0001899200000000, 0.0000052900000000, 0.0001503200000000 ] - [ -0.0003288800000000, -0.0001171600000000, 0.0003093700000000 ] - [ 0.0162549000000000, 0.0413743700000000, -0.0326000800000000 ] - [ -0.0005926400000000, -0.0000377700000000, -0.0003372000000000 ] - [ -0.0006574000000000, 0.0000416600000000, 0.0000683500000000 ] - [ -0.0002035600000000, 0.0002736300000000, 0.0000629500000000 ] - [ 0.0004136800000000, -0.0000628900000000, 0.0005896500000000 ] - [ -0.0002044700000000, -0.0003092000000000, -0.0001477400000000 ] - [ 0.0000488300000000, -0.0003924500000000, 0.0005941100000000 ] - [ -0.0003651800000000, 0.0000288400000000, -0.0001216800000000 ] - [ 0.0005480400000000, 0.0000515700000000, 0.0002048200000000 ] - [ 0.0011952900000000, 0.0093041600000000, 0.0010809100000000 ] - [ -0.0006216800000000, -0.0000065400000000, 0.0002410100000000 ] - [ 0.0029811900000000, -0.0034171000000000, -0.0021390400000000 ] - [ 0.0005959500000000, -0.0000175100000000, -0.0002379400000000 ] - [ -0.0005735800000000, -0.0006906700000000, -0.0041057900000000 ] - [ -0.0007228100000000, -0.0015099900000000, -0.0008941900000000 ] - [ -0.0002742500000000, 0.0002140800000000, 0.0004489300000000 ] - [ 0.0005321200000000, -0.0000309600000000, 0.0003034000000000 ] - [ -0.0050471900000000, -0.0094930100000000, 0.0083533000000000 ] - [ 0.0002077200000000, -0.0003066500000000, 0.0001389000000000 ] - [ -0.0004881500000000, -0.0000091400000000, 0.0000726200000000 ] - [ 0.0006454100000000, 0.0000357100000000, -0.0000809300000000 ] - [ 0.0001625200000000, 0.0002772600000000, -0.0000608900000000 ] - [ -0.0007035200000000, 0.0000675600000000, 0.0005286400000000 ] - [ 0.0003385600000000, 0.0000371800000000, 0.0001318300000000 ]- atom: 73 displacement: [ 0.0020666810454366, 0.0000000000000000, -0.0097841110713459 ] forces: - [ -0.0001769600000000, 0.0002022600000000, 0.0004820500000000 ] - [ 0.0000847100000000, 0.0000651000000000, 0.0002337300000000 ] - [ 0.0000199900000000, -0.0000884700000000, 0.0000035500000000 ] - [ -0.0000368400000000, 0.0000839500000000, -0.0000053700000000 ] - [ -0.0003114200000000, -0.0000313400000000, 0.0017265300000000 ] - [ 0.0137474500000000, 0.0351698700000000, -0.0281980500000000 ] - [ 0.0001579100000000, 0.0000199000000000, 0.0003859700000000 ] - [ -0.0002781200000000, 0.0000238600000000, -0.0004212200000000 ] - [ -0.0002571200000000, 0.0001181600000000, -0.0000126800000000 ] - [ -0.0003649000000000, -0.0002607100000000, -0.0001129600000000 ] - [ 0.0000294800000000, 0.0003493400000000, -0.0006886100000000 ] - [ -0.0001848300000000, 0.0000287200000000, 0.0001917400000000 ] - [ -0.0004707500000000, -0.0001966700000000, -0.0006512400000000 ] - [ -0.0000244100000000, -0.0001641800000000, -0.0000805700000000 ] - [ 0.0002784400000000, 0.0005255400000000, 0.0002757500000000 ] - [ -0.0001440700000000, 0.0000613200000000, 0.0002343000000000 ] - [ 0.0001825300000000, -0.0005644600000000, 0.0010059600000000 ] - [ -0.0000980700000000, 0.0003261400000000, -0.0002743900000000 ] - [ -0.0000492200000000, -0.0002719700000000, -0.0007390300000000 ] - [ -0.0000859800000000, -0.0003990700000000, 0.0008805600000000 ] - [ 0.0001062700000000, 0.0002306400000000, -0.0002202800000000 ] - [ 0.0008064800000000, -0.0000157000000000, -0.0003291200000000 ] - [ 0.0002478800000000, 0.0003818900000000, -0.0000259800000000 ] - [ -0.0001391800000000, -0.0001665300000000, -0.0014818200000000 ] - [ 0.0000188000000000, 0.0000569000000000, -0.0002642800000000 ] - [ 0.0000959600000000, 0.0001806700000000, -0.0001392800000000 ] - [ -0.0002402700000000, -0.0002843500000000, -0.0003220700000000 ] - [ -0.0002289700000000, 0.0000815500000000, 0.0000865300000000 ] - [ 0.0006706600000000, 0.0008852000000000, -0.0004339600000000 ] - [ 0.0002330800000000, 0.0003928600000000, 0.0003071800000000 ] - [ 0.0001362900000000, -0.0003083100000000, 0.0000970500000000 ] - [ 0.0000587900000000, 0.0000605500000000, -0.0002207600000000 ] - [ 0.0000497800000000, -0.0000774300000000, 0.0000918700000000 ] - [ 0.0004184400000000, 0.0000685300000000, -0.0001601700000000 ] - [ -0.0001319100000000, -0.0004417200000000, -0.0001685700000000 ] - [ 0.0000034800000000, 0.0000965400000000, 0.0000396100000000 ] - [ -0.0001779800000000, 0.0000806600000000, -0.0000484200000000 ] - [ 0.0003847800000000, -0.0004279100000000, 0.0003722600000000 ] - [ 0.0000050400000000, 0.0000209000000000, 0.0002912500000000 ] - [ -0.0004100300000000, -0.0002188100000000, 0.0001378900000000 ] - [ -0.0000909500000000, 0.0001387700000000, -0.0000006100000000 ] - [ -0.0001502100000000, -0.0002944100000000, -0.0001187100000000 ] - [ -0.0002705600000000, 0.0004079400000000, -0.0000962700000000 ] - [ 0.0000489900000000, -0.0002069100000000, -0.0001245600000000 ] - [ -0.0000165200000000, 0.0003186300000000, 0.0006646200000000 ] - [ 0.0000374400000000, -0.0001369000000000, -0.0001165900000000 ] - [ 0.0001142000000000, 0.0003423900000000, 0.0002140000000000 ] - [ -0.0001129600000000, 0.0002213900000000, 0.0002069500000000 ] - [ 0.0001286600000000, -0.0004306400000000, 0.0002197300000000 ] - [ -0.0000258600000000, 0.0006655600000000, -0.0001574300000000 ] - [ -0.0001255200000000, -0.0005673700000000, -0.0006430600000000 ] - [ 0.0000358800000000, -0.0002995400000000, 0.0007605600000000 ] - [ -0.0001162700000000, -0.0002572800000000, -0.0000161200000000 ] - [ 0.0003799800000000, -0.0001925600000000, -0.0001262000000000 ] - [ 0.0000481800000000, 0.0003401800000000, -0.0000094800000000 ] - [ -0.0000090100000000, 0.0000242700000000, -0.0002706100000000 ] - [ -0.0002333000000000, 0.0003719500000000, 0.0000280900000000 ] - [ 0.0001494800000000, 0.0000130100000000, -0.0001715700000000 ] - [ -0.0003571000000000, -0.0004292000000000, -0.0003789700000000 ] - [ 0.0000156500000000, -0.0001613600000000, 0.0000824100000000 ] - [ -0.0002283900000000, 0.0004121600000000, -0.0003007800000000 ] - [ 0.0003784600000000, 0.0006732500000000, -0.0002407400000000 ] - [ -0.0000284400000000, -0.0001308600000000, -0.0002081500000000 ] - [ 0.0000911700000000, -0.0000286000000000, -0.0001655200000000 ] - [ 0.0000754600000000, -0.0000320400000000, 0.0000649300000000 ] - [ 0.0003066300000000, 0.0001091500000000, -0.0000370900000000 ] - [ -0.0002582600000000, -0.0003403200000000, 0.0000368300000000 ] - [ -0.0000397500000000, 0.0000612200000000, 0.0001499900000000 ] - [ -0.0000285800000000, -0.0000633000000000, -0.0001023400000000 ] - [ 0.0002957000000000, -0.0003719200000000, 0.0004920600000000 ] - [ 0.0000492800000000, -0.0000034200000000, 0.0003135400000000 ] - [ -0.0003756400000000, -0.0001865100000000, -0.0001447600000000 ] - [ -0.0150668100000000, -0.0414166300000000, 0.0325913100000000 ] - [ -0.0003029800000000, -0.0000263300000000, -0.0001054400000000 ] - [ -0.0006064100000000, -0.0000017900000000, 0.0002495700000000 ] - [ -0.0001865800000000, 0.0003083800000000, -0.0001393800000000 ] - [ 0.0004835400000000, 0.0000006300000000, -0.0001483300000000 ] - [ -0.0001860300000000, -0.0002739600000000, 0.0000699800000000 ] - [ 0.0003406000000000, -0.0001892900000000, -0.0005181300000000 ] - [ -0.0005323000000000, 0.0000337000000000, -0.0003217600000000 ] - [ 0.0007148700000000, -0.0000099700000000, -0.0005246300000000 ] - [ -0.0008165000000000, -0.0087987000000000, -0.0009931600000000 ] - [ -0.0006415000000000, -0.0000341700000000, 0.0000767900000000 ] - [ -0.0020881300000000, 0.0035229600000000, 0.0025407000000000 ] - [ 0.0006680700000000, -0.0000227200000000, -0.0000804100000000 ] - [ -0.0002690900000000, 0.0006760600000000, 0.0036511800000000 ] - [ -0.0005311000000000, 0.0015891500000000, 0.0012014500000000 ] - [ -0.0001162700000000, 0.0003681100000000, -0.0005281300000000 ] - [ 0.0003647800000000, -0.0000310800000000, 0.0001395600000000 ] - [ 0.0045404800000000, 0.0087175900000000, -0.0082318100000000 ] - [ 0.0001821000000000, -0.0002753200000000, -0.0000608300000000 ] - [ -0.0004083000000000, 0.0000720800000000, -0.0005167500000000 ] - [ 0.0006183100000000, 0.0000046100000000, -0.0002380700000000 ] - [ 0.0002281500000000, 0.0003064300000000, 0.0001379800000000 ] - [ -0.0005609200000000, -0.0001073600000000, -0.0002118200000000 ] - [ 0.0005589600000000, 0.0000275000000000, 0.0003110300000000 ]- atom: 74 displacement: [ 0.0099986890339478, 0.0000000000000000, -0.0001619185054627 ] forces: - [ -0.0002728000000000, -0.0000940100000000, -0.0000316900000000 ] - [ -0.0004545600000000, 0.0000895600000000, -0.0001186600000000 ] - [ 0.0007246000000000, -0.0002158600000000, -0.0001467000000000 ] - [ 0.0004605600000000, 0.0003713800000000, 0.0004761700000000 ] - [ -0.0006615900000000, 0.0000581100000000, -0.0006084800000000 ] - [ -0.0013477700000000, -0.0000001900000000, 0.0002340000000000 ] - [ 0.0009239900000000, -0.0001362900000000, 0.0005606000000000 ] - [ 0.1838680500000000, -0.0313916700000000, 0.0537891200000000 ] - [ -0.0007657700000000, 0.0001745900000000, -0.0002833700000000 ] - [ -0.0001781600000000, -0.0003338600000000, -0.0000858500000000 ] - [ -0.0000525500000000, 0.0001006400000000, -0.0007053100000000 ] - [ -0.0007166900000000, -0.0006757800000000, -0.0004822500000000 ] - [ 0.0004162300000000, -0.0000361400000000, 0.0001629800000000 ] - [ 0.0003597100000000, -0.0002814400000000, -0.0003185600000000 ] - [ 0.0001700600000000, 0.0003029000000000, -0.0003825600000000 ] - [ -0.0002202100000000, 0.0002675200000000, 0.0001782300000000 ] - [ 0.0001238300000000, -0.0004271200000000, 0.0002543900000000 ] - [ 0.0004677100000000, 0.0007202700000000, -0.0003514200000000 ] - [ 0.0007242500000000, -0.0004140800000000, -0.0010496500000000 ] - [ -0.0000134800000000, -0.0002902700000000, 0.0007160900000000 ] - [ 0.0005624400000000, -0.0002524900000000, 0.0007634500000000 ] - [ -0.0001777100000000, -0.0001160500000000, 0.0002592700000000 ] - [ 0.0002505300000000, 0.0003505500000000, 0.0001460700000000 ] - [ 0.0000616700000000, 0.0000523900000000, -0.0001689900000000 ] - [ -0.0004082100000000, 0.0006330700000000, 0.0004118600000000 ] - [ 0.0001253600000000, 0.0000367200000000, -0.0000712800000000 ] - [ -0.0002790800000000, -0.0004524200000000, -0.0003038800000000 ] - [ -0.0000574700000000, -0.0001494400000000, 0.0001095600000000 ] - [ -0.0003033000000000, 0.0004325500000000, -0.0001839600000000 ] - [ 0.0003839400000000, 0.0017947400000000, -0.0003320200000000 ] - [ 0.0006090900000000, 0.0007020500000000, 0.0012699500000000 ] - [ -0.0003917300000000, -0.0001619500000000, -0.0005815700000000 ] - [ -0.0002382900000000, -0.0000396400000000, 0.0000460200000000 ] - [ 0.0003798300000000, 0.0001565200000000, -0.0000992700000000 ] - [ 0.0004743000000000, -0.0004876200000000, 0.0006542200000000 ] - [ -0.0000254800000000, 0.0000735300000000, 0.0000287700000000 ] - [ -0.0001201900000000, 0.0000745600000000, 0.0001756200000000 ] - [ -0.0001992500000000, -0.0006047300000000, 0.0002961200000000 ] - [ -0.0003247900000000, -0.0000583200000000, -0.0002408500000000 ] - [ -0.0003803700000000, -0.0002301900000000, 0.0001408900000000 ] - [ -0.0004234100000000, 0.0001310300000000, 0.0000360600000000 ] - [ -0.0000547500000000, -0.0003240200000000, 0.0000628500000000 ] - [ -0.0000308300000000, 0.0003756900000000, -0.0007464200000000 ] - [ -0.0000941400000000, 0.0000789200000000, 0.0003062700000000 ] - [ -0.0004219400000000, -0.0000063700000000, 0.0013752000000000 ] - [ 0.0000119000000000, -0.0001642400000000, -0.0001783700000000 ] - [ 0.0001144500000000, 0.0004588200000000, 0.0005271600000000 ] - [ 0.0000445800000000, 0.0002058800000000, 0.0001197100000000 ] - [ 0.0001052400000000, -0.0004042500000000, -0.0001360600000000 ] - [ -0.0000971400000000, 0.0003399200000000, -0.0002352300000000 ] - [ 0.0000005100000000, -0.0004174900000000, -0.0007577600000000 ] - [ 0.0002262100000000, -0.0003084400000000, 0.0006193100000000 ] - [ 0.0000048200000000, 0.0002185500000000, -0.0001854100000000 ] - [ 0.0004103300000000, -0.0000740900000000, -0.0003087300000000 ] - [ 0.0002178800000000, 0.0003016500000000, 0.0001578900000000 ] - [ -0.0003558900000000, -0.0000448200000000, -0.0001418600000000 ] - [ -0.0004024700000000, 0.0004519600000000, -0.0000009500000000 ] - [ 0.0000744800000000, 0.0000968000000000, -0.0002656100000000 ] - [ -0.0005996900000000, -0.0004138300000000, -0.0004603200000000 ] - [ 0.0002169500000000, -0.0003017600000000, -0.0002465600000000 ] - [ -0.0003327700000000, 0.0004649900000000, -0.0002883900000000 ] - [ 0.0003578400000000, 0.0003359200000000, 0.0003831400000000 ] - [ 0.0001724200000000, -0.0002500500000000, 0.0002216400000000 ] - [ -0.0000330400000000, 0.0000444700000000, -0.0001394800000000 ] - [ 0.0000238700000000, -0.0000656400000000, -0.0001387300000000 ] - [ 0.0002199800000000, 0.0001882000000000, 0.0000383200000000 ] - [ -0.0000868800000000, -0.0003679700000000, -0.0003056800000000 ] - [ -0.0000775700000000, 0.0000057700000000, 0.0000269000000000 ] - [ -0.0001851400000000, -0.0001060900000000, -0.0000800400000000 ] - [ 0.0003070800000000, -0.0003754000000000, 0.0003906900000000 ] - [ -0.0000778200000000, -0.0000216500000000, 0.0002808300000000 ] - [ -0.0003369100000000, -0.0001147400000000, 0.0000330000000000 ] - [ 0.0009209100000000, 0.0000723500000000, -0.0002426600000000 ] - [ -0.2051599600000000, 0.0343943900000000, -0.0607477100000000 ] - [ -0.0008682000000000, -0.0051845300000000, 0.0027521000000000 ] - [ -0.0003773500000000, 0.0003406000000000, -0.0002529000000000 ] - [ 0.0005919100000000, -0.0000257300000000, 0.0003727300000000 ] - [ -0.0007721900000000, 0.0000618300000000, 0.0057302700000000 ] - [ 0.0003192600000000, -0.0003209500000000, 0.0001690400000000 ] - [ -0.0007373400000000, 0.0000062200000000, -0.0003810500000000 ] - [ 0.0007674900000000, -0.0000200700000000, -0.0000455800000000 ] - [ 0.0005212300000000, 0.0002669200000000, -0.0000376800000000 ] - [ -0.0008455700000000, 0.0000503200000000, 0.0000697200000000 ] - [ 0.0008222400000000, -0.0000558500000000, 0.0001727700000000 ] - [ 0.0092293700000000, 0.0066410400000000, 0.0015628100000000 ] - [ -0.0000423300000000, -0.0000854300000000, -0.0001860800000000 ] - [ -0.0003776500000000, 0.0000749200000000, 0.0001008300000000 ] - [ -0.0000269900000000, 0.0002484900000000, 0.0001762000000000 ] - [ 0.0002500100000000, -0.0000536200000000, 0.0001060000000000 ] - [ 0.0000426400000000, -0.0003156600000000, -0.0001385700000000 ] - [ -0.0000552700000000, -0.0002576800000000, -0.0000517700000000 ] - [ -0.0001992300000000, 0.0000603400000000, -0.0000891200000000 ] - [ 0.0004275200000000, 0.0000605400000000, -0.0002473900000000 ] - [ 0.0085308800000000, -0.0041657500000000, -0.0053979100000000 ] - [ -0.0004893900000000, -0.0000289800000000, 0.0002715900000000 ] - [ 0.0051331300000000, -0.0012434800000000, 0.0022438900000000 ]- atom: 74 displacement: [ -0.0099986890339478, 0.0000000000000000, 0.0001619185054627 ] forces: - [ 0.0002739700000000, -0.0000724200000000, 0.0000311100000000 ] - [ 0.0004571200000000, 0.0000757600000000, 0.0001194200000000 ] - [ -0.0007242200000000, 0.0000494000000000, 0.0001468500000000 ] - [ -0.0004555800000000, -0.0002009000000000, -0.0004727000000000 ] - [ 0.0006616800000000, -0.0000585100000000, 0.0006112900000000 ] - [ 0.0013519800000000, 0.0000001900000000, -0.0002376600000000 ] - [ -0.0009199200000000, 0.0001355100000000, -0.0005608100000000 ] - [ -0.1736224900000000, 0.0290596400000000, -0.0497869000000000 ] - [ 0.0000709800000000, 0.0001309800000000, 0.0004532400000000 ] - [ -0.0001755300000000, -0.0003048100000000, -0.0000052200000000 ] - [ 0.0000667500000000, 0.0005314100000000, -0.0007415100000000 ] - [ 0.0005682300000000, 0.0006853700000000, 0.0009603100000000 ] - [ -0.0004284400000000, 0.0006732000000000, 0.0012834400000000 ] - [ -0.0002690700000000, -0.0000840200000000, 0.0000195100000000 ] - [ 0.0000690100000000, 0.0004844800000000, 0.0008219000000000 ] - [ 0.0001330300000000, 0.0000969200000000, 0.0001209300000000 ] - [ 0.0001157900000000, -0.0003583600000000, 0.0001784300000000 ] - [ -0.0006983200000000, 0.0000641400000000, -0.0000929400000000 ] - [ -0.0007199400000000, -0.0002197600000000, -0.0003873900000000 ] - [ 0.0000095900000000, -0.0003456600000000, 0.0007249400000000 ] - [ -0.0004617400000000, 0.0006157100000000, -0.0010593500000000 ] - [ 0.0008920500000000, -0.0001871600000000, -0.0004318700000000 ] - [ 0.0001083800000000, 0.0002881600000000, -0.0000510900000000 ] - [ 0.0000806000000000, -0.0000516800000000, -0.0002971100000000 ] - [ 0.0000572300000000, 0.0000034500000000, -0.0005085200000000 ] - [ 0.0000164500000000, -0.0000392500000000, -0.0003953500000000 ] - [ -0.0003024800000000, -0.0003870700000000, -0.0003782800000000 ] - [ -0.0000315900000000, -0.0002159400000000, 0.0001897400000000 ] - [ -0.0002772700000000, 0.0004071300000000, -0.0004988400000000 ] - [ 0.0001823800000000, -0.0009490800000000, 0.0010135200000000 ] - [ -0.0002666800000000, -0.0013541700000000, -0.0011910000000000 ] - [ 0.0004670200000000, 0.0002737300000000, 0.0005047000000000 ] - [ 0.0003070000000000, -0.0000750500000000, -0.0001309600000000 ] - [ 0.0003247200000000, 0.0001477000000000, -0.0000688600000000 ] - [ -0.0007162500000000, -0.0002946800000000, -0.0010932400000000 ] - [ -0.0000455200000000, 0.0000416500000000, 0.0000545700000000 ] - [ 0.0000499200000000, -0.0001933100000000, -0.0000929300000000 ] - [ 0.0007838300000000, -0.0002323000000000, 0.0003871700000000 ] - [ 0.0001853900000000, 0.0000607100000000, 0.0007110400000000 ] - [ -0.0003241500000000, -0.0000745800000000, 0.0000312500000000 ] - [ -0.0002794100000000, 0.0001731800000000, 0.0001314700000000 ] - [ -0.0002985600000000, -0.0003148800000000, -0.0001550900000000 ] - [ 0.0000374100000000, 0.0002593900000000, -0.0006943800000000 ] - [ -0.0000461100000000, -0.0000800100000000, 0.0001599300000000 ] - [ 0.0004159800000000, 0.0006403000000000, 0.0000692300000000 ] - [ 0.0000786600000000, -0.0002014300000000, -0.0001215200000000 ] - [ 0.0001236400000000, 0.0003277400000000, -0.0000926600000000 ] - [ -0.0001327200000000, 0.0001591100000000, 0.0001796500000000 ] - [ 0.0001366100000000, -0.0003805900000000, 0.0005690000000000 ] - [ -0.0001399400000000, 0.0004456600000000, -0.0001978500000000 ] - [ 0.0000058500000000, -0.0002176900000000, -0.0006834100000000 ] - [ -0.0002305400000000, -0.0003267800000000, 0.0008224500000000 ] - [ 0.0000870000000000, 0.0001471400000000, -0.0001141000000000 ] - [ 0.0002950700000000, -0.0002293600000000, 0.0001400500000000 ] - [ 0.0001381900000000, 0.0003372500000000, -0.0000666700000000 ] - [ 0.0004975900000000, 0.0000446000000000, -0.0003253600000000 ] - [ 0.0000477900000000, 0.0001875400000000, -0.0000910100000000 ] - [ 0.0000683800000000, -0.0000971100000000, -0.0002008900000000 ] - [ 0.0000186700000000, -0.0004241200000000, -0.0002220600000000 ] - [ -0.0003064600000000, -0.0000647500000000, 0.0005446700000000 ] - [ -0.0002487600000000, 0.0003738100000000, -0.0003935300000000 ] - [ 0.0002256300000000, 0.0005028900000000, 0.0002988200000000 ] - [ 0.0001834700000000, -0.0003886400000000, -0.0001296400000000 ] - [ 0.0001062200000000, 0.0000705900000000, 0.0000553000000000 ] - [ 0.0000492100000000, -0.0000493500000000, 0.0000552900000000 ] - [ 0.0004848000000000, 0.0001157200000000, -0.0002053200000000 ] - [ -0.0001503000000000, -0.0004176500000000, -0.0001282000000000 ] - [ 0.0000060500000000, 0.0001090200000000, 0.0000579100000000 ] - [ 0.0001141700000000, -0.0000092200000000, 0.0001641800000000 ] - [ 0.0002769600000000, -0.0004636600000000, 0.0002914200000000 ] - [ -0.0000617200000000, 0.0000227100000000, 0.0001849500000000 ] - [ -0.0003654000000000, -0.0001901500000000, 0.0001341600000000 ] - [ 0.0003427500000000, -0.0001124500000000, -0.0000745600000000 ] - [ 0.1937687300000000, -0.0321722000000000, 0.0563597400000000 ] - [ -0.0004735400000000, 0.0051547600000000, -0.0024190400000000 ] - [ -0.0000161900000000, 0.0002392400000000, 0.0001858800000000 ] - [ 0.0003137700000000, -0.0000350700000000, 0.0000716400000000 ] - [ 0.0002953600000000, -0.0006268000000000, -0.0057513400000000 ] - [ 0.0000738200000000, -0.0002601600000000, -0.0000963500000000 ] - [ -0.0001598600000000, 0.0000554000000000, -0.0000612800000000 ] - [ 0.0004967400000000, 0.0000602700000000, -0.0002733400000000 ] - [ -0.0001308900000000, 0.0003157700000000, 0.0001146000000000 ] - [ -0.0004172800000000, -0.0000904000000000, 0.0002490400000000 ] - [ 0.0000759500000000, 0.0001204100000000, 0.0002714400000000 ] - [ -0.0078135700000000, -0.0064747500000000, -0.0018596500000000 ] - [ -0.0008591500000000, 0.0000220700000000, -0.0002579600000000 ] - [ -0.0008847600000000, -0.0000337800000000, 0.0002178300000000 ] - [ -0.0003628500000000, 0.0003337100000000, -0.0002542000000000 ] - [ 0.0006505900000000, -0.0000078900000000, 0.0003379400000000 ] - [ -0.0004338500000000, -0.0002666800000000, 0.0000668400000000 ] - [ 0.0004454400000000, -0.0003261700000000, 0.0001342100000000 ] - [ -0.0006977500000000, 0.0000017300000000, -0.0003545800000000 ] - [ 0.0008368200000000, -0.0000217800000000, -0.0000712900000000 ] - [ -0.0079760900000000, 0.0046443000000000, 0.0052961800000000 ] - [ -0.0007725400000000, -0.0000108900000000, 0.0000461800000000 ] - [ -0.0042329700000000, 0.0013035900000000, -0.0017955000000000 ]- atom: 74 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000465100000000, -0.0000788400000000, -0.0000003400000000 ] - [ 0.0000558600000000, 0.0000983000000000, 0.0000176500000000 ] - [ -0.0001915000000000, -0.0001219500000000, -0.0000705900000000 ] - [ 0.0000372100000000, -0.0000957200000000, -0.0001484200000000 ] - [ 0.0000704700000000, -0.0000233100000000, 0.0000325600000000 ] - [ 0.0002172800000000, -0.0000248300000000, 0.0000394500000000 ] - [ -0.0000841100000000, 0.0000779400000000, -0.0002918100000000 ] - [ -0.0296651900000000, 0.0266568700000000, -0.0099679700000000 ] - [ -0.0009186300000000, 0.0001554600000000, 0.0006114100000000 ] - [ -0.0001742500000000, -0.0003157700000000, -0.0000155900000000 ] - [ -0.0001833900000000, 0.0007887600000000, -0.0004602400000000 ] - [ -0.0006282900000000, 0.0011272600000000, 0.0009760100000000 ] - [ 0.0000927300000000, 0.0002780300000000, 0.0007345800000000 ] - [ -0.0000952200000000, -0.0001449500000000, -0.0001900400000000 ] - [ 0.0000353000000000, 0.0003953900000000, 0.0003859600000000 ] - [ 0.0000080200000000, 0.0002147400000000, 0.0001206300000000 ] - [ 0.0001140300000000, -0.0003785900000000, 0.0002097800000000 ] - [ -0.0001261300000000, 0.0009879100000000, -0.0009368800000000 ] - [ -0.0003645800000000, -0.0003883600000000, -0.0000184000000000 ] - [ -0.0000180100000000, -0.0003298200000000, 0.0007063100000000 ] - [ 0.0006949900000000, -0.0009596000000000, -0.0001039700000000 ] - [ 0.0003489400000000, -0.0000528700000000, -0.0000101900000000 ] - [ 0.0002404800000000, 0.0002053400000000, 0.0000117500000000 ] - [ 0.0000949500000000, -0.0000157700000000, -0.0002377200000000 ] - [ -0.0000651000000000, 0.0004217500000000, -0.0001828100000000 ] - [ 0.0000780900000000, -0.0000452800000000, -0.0002933700000000 ] - [ -0.0002767200000000, -0.0004093800000000, -0.0003306700000000 ] - [ -0.0000677100000000, -0.0001843500000000, 0.0001806100000000 ] - [ -0.0003607600000000, 0.0003920500000000, -0.0003501600000000 ] - [ 0.0005632700000000, 0.0003809300000000, 0.0005085300000000 ] - [ 0.0003370700000000, 0.0004011800000000, -0.0006284900000000 ] - [ -0.0000450800000000, 0.0003718000000000, 0.0001958600000000 ] - [ 0.0000644800000000, -0.0000798300000000, 0.0001478000000000 ] - [ 0.0003566600000000, 0.0001725100000000, -0.0000889300000000 ] - [ -0.0001847300000000, -0.0004517600000000, -0.0003183200000000 ] - [ -0.0000280700000000, 0.0000409900000000, 0.0000219400000000 ] - [ 0.0000190200000000, -0.0001351500000000, 0.0000821000000000 ] - [ 0.0005084200000000, -0.0001687900000000, 0.0004592100000000 ] - [ -0.0000053400000000, -0.0000224400000000, 0.0003200100000000 ] - [ -0.0004251700000000, -0.0000529000000000, -0.0001557100000000 ] - [ -0.0003523200000000, 0.0001654900000000, 0.0000883100000000 ] - [ -0.0001959000000000, -0.0003261200000000, -0.0000533300000000 ] - [ -0.0000020500000000, 0.0003052000000000, -0.0007241800000000 ] - [ -0.0000672400000000, -0.0000078700000000, 0.0002296400000000 ] - [ -0.0002616900000000, 0.0003598400000000, 0.0009565200000000 ] - [ 0.0000547500000000, -0.0001838000000000, -0.0001505800000000 ] - [ 0.0001916000000000, 0.0004028100000000, 0.0001277400000000 ] - [ -0.0000671000000000, 0.0001342500000000, 0.0001362400000000 ] - [ 0.0001021200000000, -0.0002875000000000, 0.0001577500000000 ] - [ -0.0001243700000000, 0.0003985400000000, -0.0002170900000000 ] - [ 0.0000049100000000, -0.0003049000000000, -0.0007094800000000 ] - [ -0.0000892300000000, -0.0002797700000000, 0.0008200500000000 ] - [ 0.0000432900000000, 0.0001867100000000, -0.0001401800000000 ] - [ 0.0003133000000000, -0.0001406400000000, -0.0001035700000000 ] - [ 0.0001742800000000, 0.0003266500000000, 0.0000345400000000 ] - [ 0.0001459900000000, -0.0000387000000000, -0.0003132100000000 ] - [ 0.0000250800000000, 0.0000837800000000, -0.0000846900000000 ] - [ 0.0000299500000000, 0.0000018800000000, -0.0002437000000000 ] - [ -0.0001563000000000, -0.0004375100000000, -0.0002880500000000 ] - [ -0.0000817400000000, -0.0004834500000000, 0.0002561000000000 ] - [ -0.0001951300000000, 0.0004449800000000, -0.0003716600000000 ] - [ 0.0002922000000000, 0.0004243200000000, 0.0003412900000000 ] - [ 0.0001829800000000, -0.0003295500000000, 0.0000153500000000 ] - [ 0.0000525300000000, 0.0000517600000000, -0.0000192000000000 ] - [ 0.0000410400000000, -0.0000613800000000, -0.0000337800000000 ] - [ 0.0003695600000000, 0.0001538800000000, -0.0001401300000000 ] - [ -0.0001290500000000, -0.0003957300000000, -0.0002029100000000 ] - [ -0.0000198400000000, 0.0000756400000000, 0.0000604400000000 ] - [ -0.0000574400000000, 0.0000192500000000, 0.0000854800000000 ] - [ 0.0002833200000000, -0.0004273100000000, 0.0003293500000000 ] - [ -0.0000718300000000, 0.0000014900000000, 0.0002216500000000 ] - [ -0.0003482900000000, -0.0001532100000000, 0.0000869100000000 ] - [ 0.0005999000000000, -0.0000117800000000, -0.0001717500000000 ] - [ 0.0330832600000000, -0.0319539900000000, 0.0098228400000000 ] - [ -0.0089187600000000, 0.0079150200000000, -0.0051017100000000 ] - [ -0.0002102600000000, 0.0002549900000000, 0.0000800500000000 ] - [ 0.0004450100000000, -0.0000255700000000, 0.0002200500000000 ] - [ 0.0005174400000000, -0.0038054200000000, 0.0006700600000000 ] - [ 0.0001749500000000, -0.0002878900000000, 0.0000349800000000 ] - [ -0.0004222900000000, 0.0000202500000000, -0.0001435300000000 ] - [ 0.0006108500000000, 0.0000296900000000, -0.0001614000000000 ] - [ 0.0001514700000000, 0.0002954700000000, 0.0000257100000000 ] - [ -0.0006039500000000, -0.0000508500000000, 0.0001973300000000 ] - [ 0.0003576000000000, 0.0000432900000000, 0.0002011000000000 ] - [ 0.0107020900000000, 0.0016433400000000, 0.0012613100000000 ] - [ -0.0005051600000000, -0.0000209600000000, -0.0002344000000000 ] - [ -0.0006716400000000, 0.0000102300000000, 0.0001554700000000 ] - [ -0.0002172300000000, 0.0002999700000000, -0.0000659000000000 ] - [ 0.0004724900000000, -0.0000371100000000, 0.0002601300000000 ] - [ -0.0002357700000000, -0.0002868000000000, -0.0000342100000000 ] - [ 0.0002373700000000, -0.0003145000000000, 0.0001210400000000 ] - [ -0.0004780000000000, 0.0000284100000000, -0.0002322800000000 ] - [ 0.0006570000000000, 0.0000169000000000, -0.0001131100000000 ] - [ -0.0044135600000000, -0.0012614200000000, 0.0021260300000000 ] - [ -0.0006484600000000, -0.0000121600000000, 0.0001560200000000 ] - [ -0.0008474900000000, -0.0008551100000000, -0.0001869600000000 ]- atom: 74 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000454800000000, -0.0000885400000000, -0.0000000700000000 ] - [ -0.0000545600000000, 0.0000676000000000, -0.0000178100000000 ] - [ 0.0001873800000000, -0.0000428100000000, 0.0000713200000000 ] - [ -0.0000399000000000, 0.0002593600000000, 0.0001462600000000 ] - [ -0.0000679000000000, 0.0000222700000000, -0.0000316400000000 ] - [ -0.0002125400000000, 0.0000239800000000, -0.0000395200000000 ] - [ 0.0000789200000000, -0.0000782000000000, 0.0002893600000000 ] - [ 0.0293211900000000, -0.0262762300000000, 0.0098576200000000 ] - [ 0.0002067400000000, 0.0001602900000000, -0.0004341200000000 ] - [ -0.0001817900000000, -0.0003244100000000, -0.0000762600000000 ] - [ 0.0001875000000000, -0.0001531800000000, -0.0009813200000000 ] - [ 0.0004891000000000, -0.0011537800000000, -0.0005304500000000 ] - [ -0.0000981600000000, 0.0003554200000000, 0.0007065000000000 ] - [ 0.0001822400000000, -0.0002205300000000, -0.0001094400000000 ] - [ 0.0002032200000000, 0.0003899200000000, 0.0000481900000000 ] - [ -0.0000972300000000, 0.0001503000000000, 0.0001783900000000 ] - [ 0.0001248000000000, -0.0004079400000000, 0.0002220100000000 ] - [ -0.0001170800000000, -0.0002067700000000, 0.0005041300000000 ] - [ 0.0003690800000000, -0.0002473700000000, -0.0014226200000000 ] - [ 0.0000122400000000, -0.0003057100000000, 0.0007339600000000 ] - [ -0.0006104000000000, 0.0013276800000000, -0.0001976000000000 ] - [ 0.0003547800000000, -0.0002512600000000, -0.0001568900000000 ] - [ 0.0001140100000000, 0.0004336500000000, 0.0000790900000000 ] - [ 0.0000462200000000, 0.0000143200000000, -0.0002294800000000 ] - [ -0.0002900000000000, 0.0002168100000000, 0.0000890300000000 ] - [ 0.0000624600000000, 0.0000441100000000, -0.0001734400000000 ] - [ -0.0003060700000000, -0.0004296100000000, -0.0003522800000000 ] - [ -0.0000224300000000, -0.0001820400000000, 0.0001186700000000 ] - [ -0.0002217200000000, 0.0004449800000000, -0.0003329000000000 ] - [ 0.0000215700000000, 0.0004486100000000, 0.0001719900000000 ] - [ 0.0000112000000000, -0.0010130900000000, 0.0007205000000000 ] - [ 0.0001152700000000, -0.0002608100000000, -0.0002775600000000 ] - [ 0.0000070200000000, -0.0000342500000000, -0.0002350100000000 ] - [ 0.0003471000000000, 0.0001314000000000, -0.0000781600000000 ] - [ -0.0000578100000000, -0.0003372900000000, -0.0001138100000000 ] - [ -0.0000437700000000, 0.0000729100000000, 0.0000616100000000 ] - [ -0.0000902800000000, 0.0000195600000000, 0.0000015200000000 ] - [ 0.0000747600000000, -0.0006673400000000, 0.0002253600000000 ] - [ -0.0001333100000000, 0.0000205300000000, 0.0001470800000000 ] - [ -0.0002792700000000, -0.0002517000000000, 0.0003206300000000 ] - [ -0.0003521000000000, 0.0001386500000000, 0.0000780500000000 ] - [ -0.0001603200000000, -0.0003144000000000, -0.0000386400000000 ] - [ 0.0000075500000000, 0.0003276700000000, -0.0007170400000000 ] - [ -0.0000735400000000, 0.0000071900000000, 0.0002364800000000 ] - [ 0.0002568500000000, 0.0002744500000000, 0.0004817900000000 ] - [ 0.0000342900000000, -0.0001831000000000, -0.0001495300000000 ] - [ 0.0000472600000000, 0.0003829700000000, 0.0003023100000000 ] - [ -0.0000224000000000, 0.0002296500000000, 0.0001626600000000 ] - [ 0.0001400800000000, -0.0004988200000000, 0.0002770000000000 ] - [ -0.0001154700000000, 0.0003868800000000, -0.0002156600000000 ] - [ 0.0000004500000000, -0.0003293500000000, -0.0007313600000000 ] - [ 0.0000824100000000, -0.0003552600000000, 0.0006206300000000 ] - [ 0.0000461900000000, 0.0001786900000000, -0.0001593100000000 ] - [ 0.0003913300000000, -0.0001650600000000, -0.0000633300000000 ] - [ 0.0001813300000000, 0.0003123100000000, 0.0000555800000000 ] - [ -0.0000041300000000, 0.0000381600000000, -0.0001532900000000 ] - [ -0.0003810600000000, 0.0005546300000000, -0.0000064200000000 ] - [ 0.0001104200000000, -0.0000027400000000, -0.0002229600000000 ] - [ -0.0004244400000000, -0.0004018400000000, -0.0003947000000000 ] - [ -0.0000098000000000, 0.0001193500000000, 0.0000416900000000 ] - [ -0.0003868000000000, 0.0003924000000000, -0.0003117600000000 ] - [ 0.0002894900000000, 0.0004129500000000, 0.0003411500000000 ] - [ 0.0001724700000000, -0.0003109900000000, 0.0000748300000000 ] - [ 0.0000189900000000, 0.0000619700000000, -0.0000644200000000 ] - [ 0.0000301700000000, -0.0000538000000000, -0.0000496700000000 ] - [ 0.0003351100000000, 0.0001499700000000, -0.0000268400000000 ] - [ -0.0001107600000000, -0.0003914900000000, -0.0002299200000000 ] - [ -0.0000527600000000, 0.0000377800000000, 0.0000231900000000 ] - [ -0.0000130200000000, -0.0001343300000000, -0.0000012500000000 ] - [ 0.0002982900000000, -0.0004117000000000, 0.0003528100000000 ] - [ -0.0000689900000000, -0.0000023400000000, 0.0002438700000000 ] - [ -0.0003562200000000, -0.0001527200000000, 0.0000791200000000 ] - [ 0.0006619500000000, -0.0000304800000000, -0.0001467100000000 ] - [ -0.0337787500000000, 0.0316871100000000, -0.0101695400000000 ] - [ 0.0078206300000000, -0.0080409900000000, 0.0055305900000000 ] - [ -0.0001824500000000, 0.0003238800000000, -0.0001472000000000 ] - [ 0.0004560000000000, -0.0000360600000000, 0.0002231500000000 ] - [ -0.0009486400000000, 0.0032158000000000, -0.0008005000000000 ] - [ 0.0002153800000000, -0.0002942700000000, 0.0000383300000000 ] - [ -0.0004746000000000, 0.0000409800000000, -0.0002984100000000 ] - [ 0.0006509500000000, 0.0000103500000000, -0.0001574000000000 ] - [ 0.0002378000000000, 0.0002860200000000, 0.0000491700000000 ] - [ -0.0006575800000000, 0.0000079800000000, 0.0001203100000000 ] - [ 0.0005361600000000, 0.0000204100000000, 0.0002402000000000 ] - [ -0.0093317500000000, -0.0016739700000000, -0.0015692200000000 ] - [ -0.0003971000000000, -0.0000429300000000, -0.0002096200000000 ] - [ -0.0005924400000000, 0.0000306200000000, 0.0001619100000000 ] - [ -0.0001745800000000, 0.0002813800000000, -0.0000113100000000 ] - [ 0.0004269500000000, -0.0000249700000000, 0.0001829300000000 ] - [ -0.0001573200000000, -0.0002961100000000, -0.0000389700000000 ] - [ 0.0001537800000000, -0.0002690600000000, -0.0000425300000000 ] - [ -0.0004187700000000, 0.0000328300000000, -0.0002103700000000 ] - [ 0.0006071300000000, 0.0000205900000000, -0.0002059700000000 ] - [ 0.0047921800000000, 0.0018817700000000, -0.0020570300000000 ] - [ -0.0006158500000000, -0.0000269600000000, 0.0001622600000000 ] - [ 0.0017129100000000, 0.0009275400000000, 0.0006180100000000 ]- atom: 74 displacement: [ -0.0020666810454366, 0.0000000000000000, 0.0097841110713459 ] forces: - [ 0.0000065400000000, -0.0000768100000000, -0.0000140700000000 ] - [ -0.0000591900000000, 0.0000825000000000, 0.0000007600000000 ] - [ -0.0001118400000000, -0.0003410100000000, -0.0003418000000000 ] - [ 0.0003015800000000, -0.0001226500000000, -0.0002093900000000 ] - [ -0.0002239500000000, -0.0000180200000000, -0.0003821200000000 ] - [ 0.0001620700000000, -0.0000280100000000, 0.0003792600000000 ] - [ 0.0004479900000000, 0.0000521600000000, -0.0014776000000000 ] - [ 0.0142410400000000, -0.0040464500000000, 0.0278965700000000 ] - [ -0.0006042300000000, 0.0002500500000000, 0.0003573200000000 ] - [ -0.0002111500000000, -0.0003537100000000, 0.0000525100000000 ] - [ 0.0004529100000000, 0.0000022500000000, -0.0012188100000000 ] - [ -0.0005272500000000, 0.0004329600000000, 0.0008481400000000 ] - [ 0.0000107400000000, 0.0002685400000000, 0.0007168300000000 ] - [ -0.0000378600000000, -0.0001991900000000, -0.0000771400000000 ] - [ 0.0001542800000000, 0.0004646200000000, 0.0000882700000000 ] - [ 0.0000085500000000, 0.0001355100000000, 0.0000665300000000 ] - [ 0.0001026700000000, -0.0003360200000000, 0.0002045000000000 ] - [ -0.0000045200000000, 0.0001604300000000, -0.0010484000000000 ] - [ 0.0000964800000000, 0.0000439900000000, -0.0008762200000000 ] - [ -0.0000612000000000, -0.0003440500000000, 0.0006670900000000 ] - [ 0.0007023300000000, 0.0001443600000000, 0.0005139800000000 ] - [ 0.0003666100000000, -0.0001055800000000, 0.0000410800000000 ] - [ 0.0004230000000000, 0.0003329000000000, 0.0002834600000000 ] - [ 0.0001807400000000, -0.0000381400000000, -0.0001797900000000 ] - [ -0.0001489100000000, 0.0002969900000000, -0.0000636900000000 ] - [ -0.0000166100000000, -0.0000163500000000, -0.0002794300000000 ] - [ -0.0001952800000000, -0.0004016500000000, -0.0002943700000000 ] - [ -0.0001275600000000, -0.0002130800000000, 0.0002386600000000 ] - [ -0.0003666800000000, 0.0004503600000000, -0.0003723400000000 ] - [ -0.0005580900000000, 0.0011156900000000, 0.0006656500000000 ] - [ 0.0002097500000000, -0.0000853500000000, 0.0003879800000000 ] - [ -0.0000765500000000, 0.0003967400000000, 0.0008422000000000 ] - [ -0.0002216800000000, 0.0000068100000000, -0.0003720200000000 ] - [ 0.0004105300000000, 0.0002089400000000, -0.0001400300000000 ] - [ -0.0002681600000000, -0.0003981000000000, -0.0010266200000000 ] - [ -0.0000397600000000, 0.0000485700000000, -0.0000986600000000 ] - [ -0.0000519900000000, -0.0000702600000000, 0.0003220800000000 ] - [ 0.0004190200000000, -0.0004775800000000, 0.0001278700000000 ] - [ -0.0001022700000000, 0.0000520200000000, 0.0003466200000000 ] - [ -0.0004685400000000, -0.0001932000000000, 0.0004289500000000 ] - [ -0.0003957700000000, 0.0001802300000000, 0.0001222900000000 ] - [ -0.0001245100000000, -0.0003449400000000, -0.0000162900000000 ] - [ -0.0000251800000000, 0.0003059400000000, -0.0007409300000000 ] - [ -0.0000177400000000, -0.0000071000000000, 0.0002684600000000 ] - [ 0.0001098300000000, 0.0004952400000000, 0.0007211300000000 ] - [ 0.0000851700000000, -0.0001989200000000, -0.0001954300000000 ] - [ 0.0002244600000000, 0.0003726800000000, 0.0001113100000000 ] - [ 0.0000367200000000, 0.0001505400000000, 0.0000900400000000 ] - [ -0.0002208300000000, -0.0005577300000000, -0.0000372900000000 ] - [ -0.0001223500000000, 0.0004196100000000, -0.0002045500000000 ] - [ 0.0000267300000000, -0.0003352500000000, -0.0006991300000000 ] - [ 0.0000389200000000, -0.0002866600000000, 0.0005436700000000 ] - [ 0.0000005600000000, 0.0001660900000000, -0.0001070500000000 ] - [ 0.0002816200000000, -0.0001310600000000, -0.0000294000000000 ] - [ 0.0001528700000000, 0.0003008100000000, 0.0001058700000000 ] - [ 0.0001113300000000, 0.0000534200000000, -0.0000746300000000 ] - [ -0.0002085300000000, 0.0002315000000000, 0.0000412400000000 ] - [ -0.0000517400000000, 0.0000045800000000, -0.0003250800000000 ] - [ -0.0003143200000000, -0.0004247100000000, -0.0003289000000000 ] - [ -0.0000368800000000, -0.0001562700000000, 0.0002160200000000 ] - [ -0.0003514100000000, 0.0003691600000000, -0.0004655300000000 ] - [ 0.0003397600000000, 0.0004203400000000, 0.0003693600000000 ] - [ 0.0002055900000000, -0.0003323200000000, 0.0000160300000000 ] - [ 0.0000227500000000, 0.0000535200000000, 0.0000453100000000 ] - [ 0.0000451500000000, -0.0000659300000000, -0.0001285100000000 ] - [ 0.0003479500000000, 0.0001999400000000, -0.0000589900000000 ] - [ -0.0001156900000000, -0.0003638500000000, -0.0002344000000000 ] - [ 0.0000686200000000, 0.0000746100000000, -0.0001078700000000 ] - [ 0.0000083500000000, -0.0000133100000000, 0.0001537700000000 ] - [ 0.0002411500000000, -0.0004129800000000, 0.0003196200000000 ] - [ -0.0001191700000000, -0.0000103900000000, 0.0001996400000000 ] - [ -0.0003137900000000, -0.0001125800000000, 0.0000464300000000 ] - [ 0.0006297000000000, 0.0000101700000000, -0.0002440800000000 ] - [ -0.0167672100000000, 0.0027931700000000, -0.0311594100000000 ] - [ 0.0025981800000000, -0.0029576700000000, -0.0020518400000000 ] - [ -0.0003822100000000, 0.0002117200000000, 0.0004080000000000 ] - [ 0.0005699500000000, -0.0000305000000000, 0.0003266800000000 ] - [ 0.0088568600000000, 0.0002279100000000, 0.0088438000000000 ] - [ 0.0002036600000000, -0.0003075800000000, 0.0001452200000000 ] - [ -0.0005399100000000, -0.0000394200000000, 0.0000964100000000 ] - [ 0.0006525700000000, 0.0000391900000000, -0.0000719300000000 ] - [ 0.0002149300000000, 0.0002711100000000, -0.0000789100000000 ] - [ -0.0007587900000000, 0.0000402400000000, 0.0005084700000000 ] - [ 0.0003196100000000, 0.0000317500000000, 0.0001063100000000 ] - [ -0.0003428400000000, -0.0008811500000000, -0.0042042100000000 ] - [ -0.0004994800000000, -0.0000330200000000, -0.0002905700000000 ] - [ -0.0006480000000000, 0.0000233100000000, 0.0000896400000000 ] - [ -0.0001616200000000, 0.0002763500000000, 0.0000500000000000 ] - [ 0.0003804800000000, -0.0000642600000000, 0.0004457000000000 ] - [ -0.0002114500000000, -0.0003001100000000, -0.0001084300000000 ] - [ 0.0001201100000000, -0.0003819500000000, 0.0005232100000000 ] - [ -0.0003684900000000, 0.0000355100000000, -0.0001440600000000 ] - [ 0.0005521900000000, 0.0000767600000000, 0.0001267300000000 ] - [ -0.0093838100000000, 0.0039442500000000, 0.0006941100000000 ] - [ -0.0006001700000000, -0.0000173100000000, 0.0002301800000000 ] - [ 0.0014225300000000, -0.0000938500000000, -0.0008610000000000 ]- atom: 74 displacement: [ 0.0020666810454366, 0.0000000000000000, -0.0097841110713459 ] forces: - [ -0.0000052800000000, -0.0000903700000000, 0.0000147800000000 ] - [ 0.0000604900000000, 0.0000842500000000, 0.0000000800000000 ] - [ 0.0001097300000000, 0.0001726800000000, 0.0003418100000000 ] - [ -0.0003044400000000, 0.0002888400000000, 0.0002085400000000 ] - [ 0.0002268500000000, 0.0000178000000000, 0.0003843300000000 ] - [ -0.0001581500000000, 0.0000279700000000, -0.0003788500000000 ] - [ -0.0004530900000000, -0.0000517400000000, 0.0014787100000000 ] - [ -0.0148640900000000, 0.0041725700000000, -0.0283253300000000 ] - [ -0.0001030500000000, 0.0000569700000000, -0.0001901900000000 ] - [ -0.0001439700000000, -0.0002857800000000, -0.0001434100000000 ] - [ -0.0004514100000000, 0.0006372500000000, -0.0002199800000000 ] - [ 0.0003857800000000, -0.0004396700000000, -0.0003838300000000 ] - [ -0.0000166000000000, 0.0003662900000000, 0.0007253700000000 ] - [ 0.0001264000000000, -0.0001674500000000, -0.0002218700000000 ] - [ 0.0000852100000000, 0.0003210500000000, 0.0003464100000000 ] - [ -0.0000977000000000, 0.0002302500000000, 0.0002350400000000 ] - [ 0.0001369200000000, -0.0004498000000000, 0.0002287000000000 ] - [ -0.0002382600000000, 0.0006283600000000, 0.0006155000000000 ] - [ -0.0000943200000000, -0.0006779900000000, -0.0005607500000000 ] - [ 0.0000558900000000, -0.0002909900000000, 0.0007738300000000 ] - [ -0.0006187000000000, 0.0002222300000000, -0.0008221100000000 ] - [ 0.0003395100000000, -0.0001984400000000, -0.0002081300000000 ] - [ -0.0000690100000000, 0.0003052200000000, -0.0001943900000000 ] - [ -0.0000393600000000, 0.0000382800000000, -0.0002852800000000 ] - [ -0.0002053800000000, 0.0003416500000000, -0.0000282600000000 ] - [ 0.0001581600000000, 0.0000151700000000, -0.0001845500000000 ] - [ -0.0003865200000000, -0.0004373000000000, -0.0003877500000000 ] - [ 0.0000381200000000, -0.0001527500000000, 0.0000623000000000 ] - [ -0.0002147100000000, 0.0003880300000000, -0.0003098100000000 ] - [ 0.0011487800000000, -0.0002785100000000, 0.0000065900000000 ] - [ 0.0001444900000000, -0.0005459200000000, -0.0002943000000000 ] - [ 0.0001371200000000, -0.0002759400000000, -0.0009098900000000 ] - [ 0.0002961900000000, -0.0001226200000000, 0.0002944600000000 ] - [ 0.0002938700000000, 0.0000954400000000, -0.0000258100000000 ] - [ 0.0000268200000000, -0.0003872800000000, 0.0005888300000000 ] - [ -0.0000310900000000, 0.0000655500000000, 0.0001833600000000 ] - [ -0.0000184500000000, -0.0000447400000000, -0.0002385500000000 ] - [ 0.0001643200000000, -0.0003612100000000, 0.0005551700000000 ] - [ -0.0000392100000000, -0.0000507200000000, 0.0001225100000000 ] - [ -0.0002350800000000, -0.0001101400000000, -0.0002655200000000 ] - [ -0.0003086900000000, 0.0001245000000000, 0.0000450700000000 ] - [ -0.0002314100000000, -0.0002950900000000, -0.0000746100000000 ] - [ 0.0000308200000000, 0.0003278600000000, -0.0006988600000000 ] - [ -0.0001233300000000, 0.0000063000000000, 0.0001979100000000 ] - [ -0.0001132300000000, 0.0001394600000000, 0.0007155200000000 ] - [ 0.0000039900000000, -0.0001674100000000, -0.0001046100000000 ] - [ 0.0000141100000000, 0.0004133900000000, 0.0003210400000000 ] - [ -0.0001265800000000, 0.0002149800000000, 0.0002110900000000 ] - [ 0.0004576100000000, -0.0002295300000000, 0.0004693000000000 ] - [ -0.0001175100000000, 0.0003662600000000, -0.0002271900000000 ] - [ -0.0000211800000000, -0.0002986300000000, -0.0007401400000000 ] - [ -0.0000456200000000, -0.0003476700000000, 0.0008977300000000 ] - [ 0.0000889200000000, 0.0001999900000000, -0.0001923900000000 ] - [ 0.0004233100000000, -0.0001741500000000, -0.0001357300000000 ] - [ 0.0002025800000000, 0.0003389300000000, -0.0000144400000000 ] - [ 0.0000327600000000, -0.0000528000000000, -0.0003904500000000 ] - [ -0.0001455700000000, 0.0004087100000000, -0.0001321300000000 ] - [ 0.0001934400000000, -0.0000055400000000, -0.0001393400000000 ] - [ -0.0002657600000000, -0.0004132400000000, -0.0003530100000000 ] - [ -0.0000531200000000, -0.0002101100000000, 0.0000884900000000 ] - [ -0.0002299800000000, 0.0004694700000000, -0.0002163000000000 ] - [ 0.0002418300000000, 0.0004182200000000, 0.0003141600000000 ] - [ 0.0001495800000000, -0.0003077400000000, 0.0000752900000000 ] - [ 0.0000486200000000, 0.0000605800000000, -0.0001278000000000 ] - [ 0.0000258800000000, -0.0000483500000000, 0.0000461700000000 ] - [ 0.0003573000000000, 0.0001045500000000, -0.0001070100000000 ] - [ -0.0001243100000000, -0.0004222100000000, -0.0001973900000000 ] - [ -0.0001384200000000, 0.0000399900000000, 0.0001919400000000 ] - [ -0.0000785700000000, -0.0001013100000000, -0.0000691800000000 ] - [ 0.0003402100000000, -0.0004257800000000, 0.0003638300000000 ] - [ -0.0000218400000000, 0.0000108200000000, 0.0002661100000000 ] - [ -0.0003908600000000, -0.0001927200000000, 0.0001206900000000 ] - [ 0.0006321900000000, -0.0000526000000000, -0.0000729400000000 ] - [ 0.0163251000000000, -0.0029530100000000, 0.0309689000000000 ] - [ -0.0038788700000000, 0.0030175800000000, 0.0023311600000000 ] - [ -0.0000095900000000, 0.0003680900000000, -0.0004757500000000 ] - [ 0.0003295100000000, -0.0000312600000000, 0.0001169300000000 ] - [ -0.0090806700000000, -0.0007974800000000, -0.0087433300000000 ] - [ 0.0001869800000000, -0.0002738600000000, -0.0000715900000000 ] - [ -0.0003551900000000, 0.0001019400000000, -0.0005378300000000 ] - [ 0.0006096000000000, 0.0000016400000000, -0.0002456200000000 ] - [ 0.0001750900000000, 0.0003115800000000, 0.0001549500000000 ] - [ -0.0005025400000000, -0.0000823700000000, -0.0001901300000000 ] - [ 0.0005737000000000, 0.0000331500000000, 0.0003357900000000 ] - [ 0.0015451600000000, 0.0008153800000000, 0.0038885500000000 ] - [ -0.0003993800000000, -0.0000310100000000, -0.0001514100000000 ] - [ -0.0006155300000000, 0.0000185600000000, 0.0002289800000000 ] - [ -0.0002299200000000, 0.0003054700000000, -0.0001255200000000 ] - [ 0.0005181100000000, 0.0000022200000000, -0.0000023600000000 ] - [ -0.0001805400000000, -0.0002827800000000, 0.0000342600000000 ] - [ 0.0002714100000000, -0.0002004800000000, -0.0004458700000000 ] - [ -0.0005274000000000, 0.0000268900000000, -0.0002974900000000 ] - [ 0.0007120400000000, -0.0000370000000000, -0.0004449300000000 ] - [ 0.0099029400000000, -0.0034113300000000, -0.0006262800000000 ] - [ -0.0006635000000000, -0.0000228600000000, 0.0000886200000000 ] - [ -0.0005604000000000, 0.0001653800000000, 0.0012913900000000 ]- atom: 76 displacement: [ 0.0099986890339478, 0.0000000000000000, -0.0001619185054627 ] forces: - [ -0.0002020300000000, -0.0000804900000000, -0.0000518000000000 ] - [ -0.0002796900000000, 0.0000899900000000, -0.0000367200000000 ] - [ 0.0002369800000000, -0.0001071100000000, 0.0001256200000000 ] - [ 0.0008608200000000, -0.0005016300000000, 0.0006981000000000 ] - [ -0.0008951700000000, -0.0000140800000000, -0.0001469000000000 ] - [ -0.0005104200000000, -0.0000304600000000, -0.0001748200000000 ] - [ 0.0348673800000000, 0.0115948400000000, -0.0447216100000000 ] - [ 0.0007517700000000, 0.0001370600000000, 0.0008827800000000 ] - [ -0.0003975200000000, 0.0001893200000000, 0.0000899100000000 ] - [ -0.0002274100000000, -0.0003830400000000, 0.0001104000000000 ] - [ 0.0005810300000000, 0.0005807000000000, -0.0007622900000000 ] - [ 0.0001203800000000, -0.0001652100000000, 0.0002633700000000 ] - [ 0.0000226700000000, 0.0002554500000000, 0.0007479400000000 ] - [ 0.0001407400000000, -0.0000518800000000, 0.0000630800000000 ] - [ 0.0001428800000000, 0.0004488700000000, 0.0002245900000000 ] - [ -0.0000197400000000, 0.0001645200000000, 0.0000744100000000 ] - [ 0.0001331900000000, -0.0003764200000000, 0.0001650400000000 ] - [ 0.0000057800000000, 0.0004772100000000, 0.0003725700000000 ] - [ 0.0000377600000000, -0.0002603500000000, -0.0006575000000000 ] - [ -0.0000252200000000, -0.0002677400000000, 0.0006572000000000 ] - [ 0.0001346100000000, -0.0000092400000000, -0.0003295500000000 ] - [ 0.0003301700000000, -0.0001339800000000, -0.0000872700000000 ] - [ 0.0003818600000000, -0.0001161800000000, -0.0003115200000000 ] - [ 0.0001145100000000, 0.0000049400000000, -0.0001582200000000 ] - [ -0.0001498700000000, 0.0003250000000000, -0.0000356600000000 ] - [ 0.0000080700000000, -0.0000628500000000, -0.0002221400000000 ] - [ -0.0002250500000000, -0.0004451600000000, -0.0002850800000000 ] - [ -0.0001184300000000, -0.0002110300000000, 0.0001756200000000 ] - [ -0.0003188600000000, 0.0004756100000000, -0.0003466500000000 ] - [ -0.0000955400000000, 0.0002842900000000, 0.0007004600000000 ] - [ 0.0001698300000000, -0.0003557100000000, 0.0000804500000000 ] - [ -0.0000130100000000, 0.0000455100000000, -0.0000110800000000 ] - [ 0.0002782400000000, 0.0005997100000000, -0.0003404500000000 ] - [ 0.0003354100000000, 0.0002152400000000, -0.0001605200000000 ] - [ -0.0000291900000000, -0.0004390200000000, -0.0002450000000000 ] - [ -0.0000676300000000, 0.0000502000000000, -0.0001366600000000 ] - [ -0.0000458000000000, -0.0000713700000000, 0.0000526800000000 ] - [ 0.0002421900000000, -0.0006279900000000, 0.0002197100000000 ] - [ -0.0001418600000000, 0.0001353200000000, 0.0000457700000000 ] - [ -0.0002059700000000, -0.0002917000000000, -0.0000148700000000 ] - [ -0.0003367600000000, 0.0001187800000000, 0.0000529600000000 ] - [ -0.0002690600000000, -0.0006178000000000, 0.0002456300000000 ] - [ 0.0000460000000000, 0.0004325900000000, -0.0008117500000000 ] - [ -0.0000590500000000, 0.0000244400000000, 0.0002748100000000 ] - [ 0.0003058800000000, 0.0004234600000000, 0.0005749800000000 ] - [ 0.0000252900000000, -0.0001982700000000, -0.0001759600000000 ] - [ 0.0010528600000000, 0.0001473500000000, 0.0006799900000000 ] - [ 0.0006208100000000, 0.0008502500000000, 0.0002039400000000 ] - [ 0.0002402900000000, -0.0004230000000000, 0.0004453200000000 ] - [ -0.0000992400000000, 0.0003846000000000, -0.0003523400000000 ] - [ -0.0000157800000000, -0.0003359700000000, -0.0007174700000000 ] - [ -0.0001382200000000, -0.0002224600000000, 0.0009463300000000 ] - [ 0.0000041700000000, 0.0001492700000000, -0.0001615800000000 ] - [ 0.0002132200000000, -0.0001474900000000, 0.0001474000000000 ] - [ 0.0001528900000000, 0.0002314100000000, 0.0001915500000000 ] - [ 0.0000219600000000, -0.0000265600000000, -0.0003359000000000 ] - [ -0.0000761300000000, 0.0002526300000000, 0.0000562500000000 ] - [ 0.0005730500000000, -0.0006740300000000, 0.0002519800000000 ] - [ -0.0003312100000000, -0.0004022200000000, -0.0003492900000000 ] - [ 0.0000239500000000, -0.0001568000000000, 0.0001385300000000 ] - [ -0.0007586100000000, 0.0000566100000000, -0.0004500300000000 ] - [ 0.0002839600000000, 0.0003889700000000, 0.0003924800000000 ] - [ 0.0001832800000000, -0.0003074300000000, 0.0001166900000000 ] - [ 0.0000380800000000, 0.0000702100000000, -0.0000935800000000 ] - [ -0.0000162200000000, -0.0000512100000000, -0.0000527700000000 ] - [ 0.0003116500000000, 0.0001299500000000, -0.0002249800000000 ] - [ -0.0001066600000000, -0.0003781600000000, -0.0002102600000000 ] - [ -0.0001819800000000, 0.0000770800000000, -0.0000217900000000 ] - [ -0.0001187300000000, -0.0001272500000000, -0.0001934900000000 ] - [ 0.0003175800000000, -0.0003803300000000, 0.0003561500000000 ] - [ -0.0000857900000000, -0.0000352000000000, 0.0002779800000000 ] - [ -0.0004824100000000, -0.0001348200000000, 0.0001006500000000 ] - [ 0.0007462400000000, 0.0000141400000000, -0.0001440800000000 ] - [ -0.0006296500000000, -0.0000473900000000, -0.0004564400000000 ] - [ -0.0007762700000000, -0.0000167500000000, -0.0000297300000000 ] - [ -0.0404390700000000, -0.0116639100000000, 0.0492654900000000 ] - [ 0.0007760600000000, 0.0000123700000000, 0.0003117700000000 ] - [ -0.0002979300000000, -0.0003402500000000, -0.0002503600000000 ] - [ 0.0003448200000000, -0.0002938300000000, 0.0000803000000000 ] - [ -0.0009237900000000, -0.0006898700000000, 0.0086699200000000 ] - [ 0.0007873800000000, 0.0000072100000000, -0.0001341900000000 ] - [ 0.0003238000000000, 0.0002996800000000, 0.0000715900000000 ] - [ -0.0043143200000000, 0.0000105500000000, 0.0004135800000000 ] - [ 0.0005665800000000, 0.0000122900000000, 0.0002521100000000 ] - [ 0.0004427900000000, -0.0000599000000000, -0.0002858700000000 ] - [ -0.0002842500000000, -0.0000525200000000, -0.0001529200000000 ] - [ -0.0005321500000000, 0.0000369900000000, 0.0001917300000000 ] - [ -0.0000061100000000, 0.0002997200000000, -0.0000433000000000 ] - [ 0.0087594700000000, 0.0046604200000000, -0.0079931000000000 ] - [ -0.0000967800000000, -0.0002793700000000, 0.0000204600000000 ] - [ -0.0005521300000000, 0.0002353700000000, -0.0019179900000000 ] - [ -0.0002074400000000, 0.0000708300000000, -0.0001848900000000 ] - [ -0.0006456800000000, -0.0026365200000000, -0.0054622600000000 ] - [ -0.0000476000000000, 0.0002259800000000, -0.0002832800000000 ] - [ -0.0004559100000000, -0.0000679300000000, 0.0001635100000000 ] - [ 0.0001949900000000, 0.0000729600000000, 0.0000821500000000 ]- atom: 76 displacement: [ -0.0099986890339478, 0.0000000000000000, 0.0001619185054627 ] forces: - [ 0.0002011800000000, -0.0000870900000000, 0.0000513900000000 ] - [ 0.0002789900000000, 0.0000765300000000, 0.0000361800000000 ] - [ -0.0002370600000000, -0.0000597400000000, -0.0001275900000000 ] - [ -0.0008671100000000, 0.0006797800000000, -0.0007085500000000 ] - [ 0.0008964000000000, 0.0000141900000000, 0.0001491100000000 ] - [ 0.0005096600000000, 0.0000304300000000, 0.0001725500000000 ] - [ -0.0352295000000000, -0.0114960200000000, 0.0443762100000000 ] - [ -0.0007534300000000, -0.0001384000000000, -0.0008917200000000 ] - [ -0.0003089000000000, 0.0001153800000000, 0.0000764200000000 ] - [ -0.0001297400000000, -0.0002576500000000, -0.0002015500000000 ] - [ -0.0005849400000000, 0.0000551000000000, -0.0006728000000000 ] - [ -0.0002666800000000, 0.0001662900000000, 0.0002015400000000 ] - [ -0.0000311400000000, 0.0003777500000000, 0.0006922000000000 ] - [ -0.0000511300000000, -0.0003137600000000, -0.0003649000000000 ] - [ 0.0000952800000000, 0.0003368500000000, 0.0002070300000000 ] - [ -0.0000716800000000, 0.0002010700000000, 0.0002252600000000 ] - [ 0.0001050500000000, -0.0004102100000000, 0.0002657100000000 ] - [ -0.0002493100000000, 0.0003072000000000, -0.0008057900000000 ] - [ -0.0000317200000000, -0.0003736800000000, -0.0007846900000000 ] - [ 0.0000181600000000, -0.0003657200000000, 0.0007824700000000 ] - [ -0.0000458400000000, 0.0003776900000000, 0.0000315700000000 ] - [ 0.0003736000000000, -0.0001714600000000, -0.0000798000000000 ] - [ -0.0000310200000000, 0.0007580000000000, 0.0004072400000000 ] - [ 0.0000244400000000, -0.0000055300000000, -0.0003089600000000 ] - [ -0.0002078000000000, 0.0003149000000000, -0.0000555200000000 ] - [ 0.0001317500000000, 0.0000629500000000, -0.0002436700000000 ] - [ -0.0003590400000000, -0.0003931500000000, -0.0003992800000000 ] - [ 0.0000279600000000, -0.0001548000000000, 0.0001226300000000 ] - [ -0.0002630800000000, 0.0003618000000000, -0.0003373400000000 ] - [ 0.0006798500000000, 0.0005542100000000, -0.0000212400000000 ] - [ 0.0001864300000000, -0.0002849700000000, 0.0000103600000000 ] - [ 0.0000823100000000, 0.0000683000000000, -0.0000731700000000 ] - [ -0.0002318900000000, -0.0007293300000000, 0.0002617000000000 ] - [ 0.0003671000000000, 0.0000888000000000, -0.0000047500000000 ] - [ -0.0002105200000000, -0.0003476400000000, -0.0001899000000000 ] - [ -0.0000050600000000, 0.0000635300000000, 0.0002217200000000 ] - [ -0.0000265600000000, -0.0000423700000000, 0.0000299600000000 ] - [ 0.0003373500000000, -0.0002103600000000, 0.0004637500000000 ] - [ -0.0000020300000000, -0.0001360500000000, 0.0004215100000000 ] - [ -0.0005018800000000, -0.0000133900000000, 0.0001792500000000 ] - [ -0.0003691100000000, 0.0001861100000000, 0.0001125400000000 ] - [ -0.0000881900000000, -0.0000260800000000, -0.0003345300000000 ] - [ -0.0000399400000000, 0.0002003300000000, -0.0006294000000000 ] - [ -0.0000825800000000, -0.0000241000000000, 0.0001916800000000 ] - [ -0.0003146300000000, 0.0002088500000000, 0.0008659400000000 ] - [ 0.0000626300000000, -0.0001680400000000, -0.0001236800000000 ] - [ -0.0007952000000000, 0.0006325000000000, -0.0002207500000000 ] - [ -0.0007098800000000, -0.0004802400000000, 0.0000978500000000 ] - [ -0.0000012300000000, -0.0003627200000000, -0.0000136400000000 ] - [ -0.0001412700000000, 0.0004015600000000, -0.0000802200000000 ] - [ 0.0000212200000000, -0.0002972900000000, -0.0007234700000000 ] - [ 0.0001332700000000, -0.0004115500000000, 0.0004918500000000 ] - [ 0.0000844900000000, 0.0002166900000000, -0.0001379200000000 ] - [ 0.0004910000000000, -0.0001578200000000, -0.0003152100000000 ] - [ 0.0002025600000000, 0.0004088500000000, -0.0001015100000000 ] - [ 0.0001171000000000, 0.0000260700000000, -0.0001312200000000 ] - [ -0.0002814800000000, 0.0003878200000000, -0.0001469500000000 ] - [ -0.0004078400000000, 0.0006534200000000, -0.0007098100000000 ] - [ -0.0002528700000000, -0.0004355600000000, -0.0003354500000000 ] - [ -0.0001143200000000, -0.0002095000000000, 0.0001599100000000 ] - [ 0.0001771700000000, 0.0007791100000000, -0.0002319600000000 ] - [ 0.0002967300000000, 0.0004482200000000, 0.0002909300000000 ] - [ 0.0001716200000000, -0.0003330200000000, -0.0000266700000000 ] - [ 0.0000320900000000, 0.0000431300000000, 0.0000095000000000 ] - [ 0.0000863300000000, -0.0000627300000000, -0.0000305400000000 ] - [ 0.0003913500000000, 0.0001755400000000, 0.0000595400000000 ] - [ -0.0001339700000000, -0.0004085600000000, -0.0002224400000000 ] - [ 0.0001090500000000, 0.0000359000000000, 0.0001050100000000 ] - [ 0.0000444500000000, 0.0000112800000000, 0.0002747300000000 ] - [ 0.0002635600000000, -0.0004579200000000, 0.0003275500000000 ] - [ -0.0000552200000000, 0.0000346200000000, 0.0001880500000000 ] - [ -0.0002244300000000, -0.0001708500000000, 0.0000646700000000 ] - [ 0.0005154100000000, -0.0000554200000000, -0.0001739800000000 ] - [ -0.0002669200000000, -0.0000166000000000, 0.0000161600000000 ] - [ -0.0004884800000000, 0.0000553100000000, 0.0003497200000000 ] - [ 0.0403722300000000, 0.0121613000000000, -0.0488396900000000 ] - [ 0.0001197600000000, -0.0000738400000000, 0.0001293700000000 ] - [ -0.0000946100000000, -0.0002428100000000, 0.0001759300000000 ] - [ 0.0000448900000000, -0.0002879200000000, -0.0000069200000000 ] - [ 0.0000358900000000, 0.0007520400000000, -0.0091698200000000 ] - [ 0.0004741200000000, 0.0000318500000000, -0.0001851900000000 ] - [ 0.0000659400000000, 0.0002833200000000, 0.0000050100000000 ] - [ 0.0030393500000000, -0.0000945100000000, -0.0000522900000000 ] - [ 0.0003260300000000, 0.0000520800000000, 0.0001888400000000 ] - [ 0.0008191500000000, 0.0000177700000000, -0.0000309300000000 ] - [ -0.0006129500000000, -0.0000117500000000, -0.0002887800000000 ] - [ -0.0007320100000000, 0.0000039300000000, 0.0001264100000000 ] - [ -0.0003856800000000, 0.0002824600000000, -0.0000353400000000 ] - [ -0.0076636600000000, -0.0046139900000000, 0.0082664100000000 ] - [ -0.0002959500000000, -0.0003034700000000, -0.0000945300000000 ] - [ 0.0009284400000000, -0.0008272700000000, 0.0020272400000000 ] - [ -0.0006882400000000, -0.0000085600000000, -0.0002570800000000 ] - [ 0.0018683400000000, 0.0026557700000000, 0.0051370700000000 ] - [ 0.0004384500000000, 0.0003570500000000, 0.0003594000000000 ] - [ -0.0008088300000000, 0.0000285600000000, 0.0001541900000000 ] - [ 0.0006984000000000, -0.0000087500000000, 0.0003598700000000 ]- atom: 76 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000182900000000, -0.0000802600000000, 0.0000070000000000 ] - [ -0.0000034400000000, 0.0000890800000000, -0.0000047200000000 ] - [ -0.0000548500000000, -0.0001489900000000, 0.0001151400000000 ] - [ -0.0000433500000000, -0.0000203400000000, 0.0002997600000000 ] - [ -0.0000540300000000, -0.0000176700000000, -0.0000773900000000 ] - [ 0.0000900000000000, -0.0000196000000000, 0.0000876100000000 ] - [ 0.0100469900000000, 0.0295964900000000, -0.0346334500000000 ] - [ -0.0002021400000000, 0.0000915100000000, 0.0004617100000000 ] - [ -0.0003268500000000, 0.0001743500000000, 0.0000697300000000 ] - [ -0.0001934800000000, -0.0003157500000000, -0.0000399700000000 ] - [ -0.0000417900000000, 0.0001054500000000, -0.0011530800000000 ] - [ 0.0001709800000000, -0.0000683000000000, 0.0004387600000000 ] - [ 0.0000196400000000, 0.0003024000000000, 0.0007380800000000 ] - [ -0.0000219000000000, -0.0004766500000000, 0.0000061600000000 ] - [ 0.0001172200000000, 0.0003999100000000, 0.0002271300000000 ] - [ -0.0000234300000000, 0.0001928200000000, 0.0001219500000000 ] - [ 0.0001223400000000, -0.0003923000000000, 0.0002607400000000 ] - [ 0.0002353900000000, 0.0004439900000000, -0.0004003700000000 ] - [ -0.0000137000000000, -0.0002802200000000, -0.0007423300000000 ] - [ -0.0000329200000000, -0.0003504300000000, 0.0007366900000000 ] - [ -0.0001631000000000, 0.0000266900000000, 0.0001962500000000 ] - [ 0.0003345100000000, -0.0001383400000000, -0.0000705200000000 ] - [ 0.0000611100000000, 0.0009674400000000, -0.0001393500000000 ] - [ 0.0000891600000000, -0.0000077800000000, -0.0002174400000000 ] - [ -0.0001775900000000, 0.0003308800000000, -0.0000687700000000 ] - [ 0.0000613300000000, -0.0000102200000000, -0.0002449400000000 ] - [ -0.0002645000000000, -0.0004203100000000, -0.0003393500000000 ] - [ -0.0000597900000000, -0.0001859700000000, 0.0001683600000000 ] - [ -0.0003118600000000, 0.0004189400000000, -0.0003572300000000 ] - [ 0.0002753900000000, 0.0007802100000000, 0.0001379400000000 ] - [ 0.0001293700000000, -0.0003364000000000, 0.0000180800000000 ] - [ 0.0000597800000000, 0.0000439500000000, -0.0000570700000000 ] - [ 0.0001132700000000, 0.0003620600000000, -0.0002116500000000 ] - [ 0.0004185800000000, 0.0001851800000000, -0.0001095800000000 ] - [ -0.0001409200000000, -0.0002994700000000, -0.0000126100000000 ] - [ -0.0000460100000000, 0.0000658300000000, -0.0000572600000000 ] - [ -0.0000495600000000, -0.0000766600000000, 0.0000700900000000 ] - [ 0.0002982700000000, -0.0004340700000000, 0.0003176300000000 ] - [ 0.0000523700000000, -0.0000464200000000, 0.0002197100000000 ] - [ 0.0003162700000000, -0.0002652700000000, 0.0005654400000000 ] - [ -0.0003715800000000, 0.0001899000000000, 0.0000992900000000 ] - [ -0.0004032900000000, -0.0006356000000000, 0.0000879700000000 ] - [ 0.0000227700000000, 0.0003252700000000, -0.0007953300000000 ] - [ -0.0000641600000000, -0.0000179800000000, 0.0002596700000000 ] - [ 0.0002318100000000, 0.0004598300000000, 0.0003044800000000 ] - [ 0.0000674500000000, -0.0001879700000000, -0.0001692600000000 ] - [ 0.0001474100000000, 0.0008776000000000, -0.0000258800000000 ] - [ -0.0002082300000000, -0.0006780300000000, 0.0001943400000000 ] - [ 0.0001081300000000, -0.0003844400000000, 0.0003349700000000 ] - [ -0.0001062300000000, 0.0004125400000000, -0.0002690000000000 ] - [ 0.0000195400000000, -0.0003279200000000, -0.0007137300000000 ] - [ 0.0002197300000000, -0.0002973200000000, 0.0005198600000000 ] - [ 0.0000055600000000, 0.0001898600000000, -0.0001190900000000 ] - [ 0.0003571300000000, -0.0000654500000000, 0.0001115700000000 ] - [ 0.0001465700000000, 0.0003007100000000, 0.0000930800000000 ] - [ 0.0000901100000000, 0.0000211800000000, -0.0002492200000000 ] - [ -0.0001049400000000, 0.0002020900000000, 0.0000441200000000 ] - [ -0.0006154000000000, 0.0008500400000000, -0.0006865100000000 ] - [ -0.0003862800000000, -0.0003959100000000, -0.0002832700000000 ] - [ -0.0000205600000000, -0.0002019700000000, 0.0001395200000000 ] - [ -0.0007057600000000, 0.0005070900000000, -0.0002349900000000 ] - [ 0.0003230800000000, 0.0004156500000000, 0.0003625500000000 ] - [ 0.0001853900000000, -0.0003303600000000, -0.0000147700000000 ] - [ 0.0000223200000000, 0.0000349500000000, 0.0000015400000000 ] - [ 0.0000214100000000, -0.0000995800000000, -0.0000631400000000 ] - [ 0.0004265100000000, 0.0001624300000000, -0.0001013100000000 ] - [ -0.0001179200000000, -0.0003785900000000, -0.0002211300000000 ] - [ -0.0000377600000000, 0.0001247400000000, -0.0000066600000000 ] - [ -0.0004532700000000, -0.0001431600000000, 0.0002383500000000 ] - [ 0.0002650100000000, -0.0004254000000000, 0.0003316800000000 ] - [ -0.0000916500000000, -0.0000034500000000, 0.0002178600000000 ] - [ -0.0003825600000000, -0.0001344200000000, 0.0000912200000000 ] - [ 0.0006209500000000, -0.0000183900000000, -0.0001785700000000 ] - [ -0.0003985200000000, -0.0000676800000000, -0.0002897000000000 ] - [ -0.0005861700000000, 0.0000454100000000, 0.0000650700000000 ] - [ -0.0114594400000000, -0.0338961600000000, 0.0407592400000000 ] - [ 0.0004739300000000, -0.0000267700000000, 0.0002469600000000 ] - [ -0.0001491900000000, -0.0003220900000000, -0.0001690000000000 ] - [ 0.0001927300000000, -0.0002931300000000, 0.0000529300000000 ] - [ -0.0007939200000000, -0.0034881200000000, -0.0007862900000000 ] - [ 0.0006334500000000, 0.0000253700000000, -0.0001413700000000 ] - [ 0.0001872000000000, 0.0002916400000000, 0.0000261800000000 ] - [ 0.0001432100000000, 0.0089215300000000, -0.0090287100000000 ] - [ 0.0004155500000000, 0.0000344700000000, 0.0001966100000000 ] - [ 0.0006613000000000, -0.0000403700000000, -0.0002301100000000 ] - [ -0.0004917900000000, -0.0000236900000000, -0.0002449700000000 ] - [ -0.0006427700000000, 0.0000254800000000, 0.0001410400000000 ] - [ -0.0001864700000000, 0.0002898900000000, -0.0000196400000000 ] - [ 0.0048078500000000, -0.0016244300000000, -0.0026076100000000 ] - [ -0.0002077800000000, -0.0002944100000000, -0.0000629000000000 ] - [ 0.0006906100000000, -0.0008271200000000, -0.0018283200000000 ] - [ -0.0004224100000000, 0.0000350800000000, -0.0002064000000000 ] - [ -0.0029966900000000, 0.0004991600000000, 0.0083425900000000 ] - [ 0.0002575600000000, 0.0002115300000000, -0.0001535100000000 ] - [ -0.0006250000000000, -0.0000178800000000, 0.0001751100000000 ] - [ 0.0004804100000000, 0.0000085000000000, 0.0001357000000000 ]- atom: 76 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000186500000000, -0.0000883500000000, -0.0000076500000000 ] - [ 0.0000032600000000, 0.0000766100000000, 0.0000045700000000 ] - [ 0.0000548400000000, -0.0000187900000000, -0.0001166400000000 ] - [ 0.0000379500000000, 0.0001853700000000, -0.0002994000000000 ] - [ 0.0000555200000000, 0.0000165100000000, 0.0000791800000000 ] - [ -0.0000911800000000, 0.0000184900000000, -0.0000896700000000 ] - [ -0.0100330900000000, -0.0299514600000000, 0.0345915100000000 ] - [ 0.0002031300000000, -0.0000931400000000, -0.0004707100000000 ] - [ -0.0003782200000000, 0.0001300800000000, 0.0000967000000000 ] - [ -0.0001633300000000, -0.0003259300000000, -0.0000510500000000 ] - [ 0.0000428400000000, 0.0005389900000000, -0.0002854700000000 ] - [ -0.0003149700000000, 0.0000688600000000, 0.0000250600000000 ] - [ -0.0000266100000000, 0.0003300200000000, 0.0007025500000000 ] - [ 0.0001127800000000, 0.0001082500000000, -0.0003033300000000 ] - [ 0.0001216600000000, 0.0003846300000000, 0.0002047300000000 ] - [ -0.0000669700000000, 0.0001717900000000, 0.0001778100000000 ] - [ 0.0001167100000000, -0.0003948800000000, 0.0001696800000000 ] - [ -0.0004785000000000, 0.0003437100000000, -0.0000290600000000 ] - [ 0.0000207500000000, -0.0003542100000000, -0.0007007700000000 ] - [ 0.0000266400000000, -0.0002840300000000, 0.0007030900000000 ] - [ 0.0002562500000000, 0.0003400000000000, -0.0004981400000000 ] - [ 0.0003697100000000, -0.0001682200000000, -0.0000961800000000 ] - [ 0.0002850100000000, -0.0003472800000000, 0.0002294200000000 ] - [ 0.0000508100000000, 0.0000065700000000, -0.0002492600000000 ] - [ -0.0001794400000000, 0.0003083100000000, -0.0000223200000000 ] - [ 0.0000795800000000, 0.0000086300000000, -0.0002203800000000 ] - [ -0.0003187500000000, -0.0004190000000000, -0.0003450500000000 ] - [ -0.0000301600000000, -0.0001807200000000, 0.0001301400000000 ] - [ -0.0002702200000000, 0.0004177300000000, -0.0003268300000000 ] - [ 0.0003053700000000, 0.0000586500000000, 0.0005458700000000 ] - [ 0.0002276300000000, -0.0003054900000000, 0.0000726900000000 ] - [ 0.0000104800000000, 0.0000683600000000, -0.0000276800000000 ] - [ -0.0000410000000000, -0.0004782700000000, 0.0001292400000000 ] - [ 0.0002843900000000, 0.0001187100000000, -0.0000556400000000 ] - [ -0.0000985100000000, -0.0004869800000000, -0.0004216000000000 ] - [ -0.0000253900000000, 0.0000463400000000, 0.0001425300000000 ] - [ -0.0000216700000000, -0.0000380300000000, 0.0000128900000000 ] - [ 0.0002823800000000, -0.0004076100000000, 0.0003653800000000 ] - [ -0.0001942100000000, 0.0000457800000000, 0.0002466800000000 ] - [ -0.0010308900000000, -0.0000385700000000, -0.0004035500000000 ] - [ -0.0003331400000000, 0.0001141800000000, 0.0000659800000000 ] - [ 0.0000462400000000, -0.0000049900000000, -0.0001800200000000 ] - [ -0.0000164500000000, 0.0003064400000000, -0.0006449800000000 ] - [ -0.0000768900000000, 0.0000170600000000, 0.0002063300000000 ] - [ -0.0002402000000000, 0.0001727400000000, 0.0011346300000000 ] - [ 0.0000212800000000, -0.0001791600000000, -0.0001302100000000 ] - [ 0.0000867400000000, -0.0000911100000000, 0.0004549200000000 ] - [ 0.0001209800000000, 0.0010302400000000, 0.0001064800000000 ] - [ 0.0001309000000000, -0.0004023200000000, 0.0000948400000000 ] - [ -0.0001333600000000, 0.0003721300000000, -0.0001624100000000 ] - [ -0.0000131800000000, -0.0003064100000000, -0.0007275000000000 ] - [ -0.0002255100000000, -0.0003378500000000, 0.0009195100000000 ] - [ 0.0000845700000000, 0.0001756300000000, -0.0001806000000000 ] - [ 0.0003481000000000, -0.0002411200000000, -0.0002778400000000 ] - [ 0.0002105300000000, 0.0003391100000000, -0.0000036600000000 ] - [ 0.0000501300000000, -0.0000222100000000, -0.0002168500000000 ] - [ -0.0002519500000000, 0.0004377300000000, -0.0001351900000000 ] - [ 0.0007684300000000, -0.0008587400000000, 0.0002268800000000 ] - [ -0.0001961700000000, -0.0004432100000000, -0.0004021100000000 ] - [ -0.0000692700000000, -0.0001652200000000, 0.0001593900000000 ] - [ 0.0001309800000000, 0.0003384400000000, -0.0004504600000000 ] - [ 0.0002586200000000, 0.0004201700000000, 0.0003210700000000 ] - [ 0.0001707700000000, -0.0003109900000000, 0.0001056900000000 ] - [ 0.0000486400000000, 0.0000773200000000, -0.0000860500000000 ] - [ 0.0000493200000000, -0.0000147200000000, -0.0000201500000000 ] - [ 0.0002776500000000, 0.0001422200000000, -0.0000630700000000 ] - [ -0.0001216100000000, -0.0004088200000000, -0.0002113700000000 ] - [ -0.0000325900000000, -0.0000127300000000, 0.0000906500000000 ] - [ 0.0003855000000000, 0.0000306600000000, -0.0001552200000000 ] - [ 0.0003174400000000, -0.0004137000000000, 0.0003525100000000 ] - [ -0.0000484100000000, 0.0000023400000000, 0.0002481800000000 ] - [ -0.0003216400000000, -0.0001727100000000, 0.0000737200000000 ] - [ 0.0006413700000000, -0.0000257200000000, -0.0001390800000000 ] - [ -0.0004968200000000, 0.0000022000000000, -0.0001507400000000 ] - [ -0.0006772800000000, -0.0000053900000000, 0.0002543800000000 ] - [ 0.0110387000000000, 0.0348197800000000, -0.0406138700000000 ] - [ 0.0004229800000000, -0.0000358200000000, 0.0001948100000000 ] - [ -0.0002423000000000, -0.0002626000000000, 0.0000931600000000 ] - [ 0.0001975600000000, -0.0002903100000000, 0.0000230800000000 ] - [ -0.0000856600000000, 0.0035356300000000, 0.0004077800000000 ] - [ 0.0006290600000000, 0.0000134000000000, -0.0001774900000000 ] - [ 0.0002029700000000, 0.0002912600000000, 0.0000526400000000 ] - [ -0.0013948200000000, -0.0087664400000000, 0.0091489200000000 ] - [ 0.0004766400000000, 0.0000297000000000, 0.0002443400000000 ] - [ 0.0006007400000000, -0.0000033300000000, -0.0000861100000000 ] - [ -0.0004036100000000, -0.0000419300000000, -0.0001966300000000 ] - [ -0.0006201600000000, 0.0000148900000000, 0.0001771300000000 ] - [ -0.0002043200000000, 0.0002915900000000, -0.0000588900000000 ] - [ -0.0039127000000000, 0.0015202200000000, 0.0030643000000000 ] - [ -0.0001833200000000, -0.0002903200000000, -0.0000140600000000 ] - [ -0.0003103600000000, 0.0002298000000000, 0.0019403900000000 ] - [ -0.0004719300000000, 0.0000268100000000, -0.0002352000000000 ] - [ 0.0042933500000000, -0.0004577900000000, -0.0087334500000000 ] - [ 0.0001325400000000, 0.0003715700000000, 0.0002328200000000 ] - [ -0.0006381500000000, -0.0000243400000000, 0.0001422600000000 ] - [ 0.0004131300000000, 0.0000553200000000, 0.0003070900000000 ]- atom: 76 displacement: [ -0.0020666810454366, 0.0000000000000000, 0.0097841110713459 ] forces: - [ -0.0000746300000000, -0.0000945500000000, -0.0000344100000000 ] - [ 0.0000547900000000, 0.0000734600000000, 0.0000260500000000 ] - [ 0.0001096900000000, 0.0000084600000000, -0.0003692100000000 ] - [ -0.0000105100000000, 0.0015626500000000, -0.0012463900000000 ] - [ 0.0003060600000000, 0.0000484800000000, 0.0005086900000000 ] - [ -0.0003086300000000, 0.0000495900000000, -0.0005039400000000 ] - [ -0.0451845600000000, -0.0363849400000000, 0.1626360100000000 ] - [ 0.0006564300000000, -0.0002585700000000, -0.0026654900000000 ] - [ -0.0003991200000000, 0.0000697300000000, 0.0002659400000000 ] - [ -0.0001502300000000, -0.0003611500000000, -0.0000557100000000 ] - [ -0.0004486100000000, -0.0004097300000000, -0.0004231400000000 ] - [ -0.0008801200000000, 0.0002400900000000, -0.0002541900000000 ] - [ -0.0000573400000000, 0.0003799800000000, 0.0006719300000000 ] - [ 0.0002242600000000, -0.0002202200000000, -0.0004599600000000 ] - [ 0.0001052900000000, 0.0003242100000000, 0.0002398100000000 ] - [ -0.0001197600000000, 0.0002022200000000, 0.0002468000000000 ] - [ 0.0001383300000000, -0.0004378500000000, 0.0000272900000000 ] - [ -0.0000520500000000, 0.0003160600000000, -0.0000908200000000 ] - [ 0.0002048800000000, -0.0002988800000000, -0.0010944000000000 ] - [ 0.0001210900000000, -0.0001972900000000, 0.0006256900000000 ] - [ 0.0004309600000000, 0.0006337400000000, -0.0004418900000000 ] - [ 0.0004363700000000, -0.0002226300000000, -0.0001492600000000 ] - [ -0.0002734600000000, 0.0006636100000000, 0.0004965200000000 ] - [ -0.0000133100000000, 0.0000083500000000, -0.0002793000000000 ] - [ -0.0002392800000000, 0.0003303000000000, 0.0000168900000000 ] - [ 0.0001546200000000, 0.0000356800000000, -0.0001541000000000 ] - [ -0.0003955200000000, -0.0004264900000000, -0.0003472100000000 ] - [ 0.0000073200000000, -0.0001638500000000, 0.0000771400000000 ] - [ -0.0002042100000000, 0.0003916900000000, -0.0002953400000000 ] - [ 0.0004141500000000, 0.0005163600000000, -0.0001077300000000 ] - [ 0.0003957200000000, -0.0002694100000000, 0.0001366500000000 ] - [ -0.0000801700000000, 0.0001078800000000, -0.0001397100000000 ] - [ 0.0000965800000000, -0.0003051300000000, 0.0005709000000000 ] - [ 0.0001373400000000, 0.0000598000000000, 0.0000810200000000 ] - [ -0.0000725400000000, -0.0003237600000000, -0.0007351200000000 ] - [ -0.0000806600000000, 0.0000604000000000, 0.0003157200000000 ] - [ -0.0000024300000000, -0.0000263300000000, -0.0001033400000000 ] - [ 0.0000382500000000, -0.0005763600000000, 0.0002653500000000 ] - [ -0.0004970300000000, 0.0000291700000000, 0.0004708600000000 ] - [ -0.0003116300000000, -0.0000611100000000, 0.0001998300000000 ] - [ -0.0002676400000000, 0.0000150100000000, 0.0000053100000000 ] - [ 0.0000721300000000, -0.0000115900000000, -0.0002488700000000 ] - [ -0.0000182700000000, 0.0002838000000000, -0.0005339000000000 ] - [ -0.0001771600000000, 0.0000465800000000, 0.0001284600000000 ] - [ 0.0000469800000000, 0.0000799500000000, 0.0002667000000000 ] - [ -0.0000610200000000, -0.0001455400000000, -0.0000530500000000 ] - [ -0.0007932800000000, 0.0010316900000000, 0.0014103500000000 ] - [ 0.0002117900000000, -0.0001886700000000, 0.0009941700000000 ] - [ 0.0000402800000000, -0.0003129500000000, -0.0001321500000000 ] - [ -0.0001259700000000, 0.0003078700000000, -0.0000837900000000 ] - [ -0.0000571500000000, -0.0002782700000000, -0.0007628600000000 ] - [ 0.0006347900000000, -0.0006241500000000, 0.0001910300000000 ] - [ 0.0001578200000000, 0.0002262600000000, -0.0002662100000000 ] - [ 0.0003498600000000, -0.0002700500000000, -0.0001214800000000 ] - [ 0.0002706100000000, 0.0004056800000000, -0.0001229600000000 ] - [ 0.0000100200000000, 0.0000250300000000, -0.0002516800000000 ] - [ -0.0002678100000000, 0.0003849700000000, -0.0001188800000000 ] - [ 0.0005897300000000, -0.0001615200000000, 0.0000556300000000 ] - [ -0.0004495400000000, -0.0003664500000000, -0.0005044100000000 ] - [ -0.0000347000000000, -0.0002162700000000, 0.0001384200000000 ] - [ -0.0002307600000000, 0.0006204700000000, -0.0001652900000000 ] - [ 0.0001744500000000, 0.0003989200000000, 0.0002714500000000 ] - [ 0.0001198700000000, -0.0002539200000000, 0.0002776900000000 ] - [ 0.0000528700000000, 0.0001026800000000, -0.0002525000000000 ] - [ 0.0000432400000000, -0.0000153300000000, 0.0001084500000000 ] - [ 0.0002093700000000, 0.0001673200000000, 0.0002003100000000 ] - [ -0.0001278800000000, -0.0004722100000000, -0.0001888000000000 ] - [ 0.0000968000000000, 0.0000105100000000, 0.0002196000000000 ] - [ 0.0011872800000000, -0.0002848500000000, -0.0006335300000000 ] - [ 0.0004025700000000, -0.0004143000000000, 0.0003907400000000 ] - [ 0.0000625600000000, 0.0000309700000000, 0.0002922000000000 ] - [ -0.0002780700000000, -0.0001993000000000, 0.0001012700000000 ] - [ 0.0006611000000000, -0.0000316500000000, -0.0000519500000000 ] - [ -0.0006200200000000, 0.0000823000000000, 0.0002238200000000 ] - [ -0.0007945200000000, -0.0000995300000000, 0.0007143200000000 ] - [ 0.0514638700000000, 0.0408899500000000, -0.1866430100000000 ] - [ 0.0003074600000000, -0.0000287600000000, 0.0000712500000000 ] - [ -0.0003712800000000, -0.0001525100000000, 0.0006715500000000 ] - [ 0.0002047300000000, -0.0002754200000000, -0.0000708700000000 ] - [ 0.0053263000000000, -0.0005341500000000, 0.0078513200000000 ] - [ 0.0006128500000000, -0.0000082000000000, -0.0002703700000000 ] - [ 0.0002030400000000, 0.0003026200000000, 0.0001313600000000 ] - [ -0.0001338400000000, -0.0066224500000000, 0.0011262500000000 ] - [ 0.0005551400000000, 0.0000356000000000, 0.0003514000000000 ] - [ 0.0005273800000000, -0.0000090600000000, 0.0003220600000000 ] - [ -0.0002726600000000, -0.0000540600000000, -0.0001040400000000 ] - [ -0.0005985900000000, -0.0000128700000000, 0.0002629100000000 ] - [ -0.0002410900000000, 0.0003082100000000, -0.0001756100000000 ] - [ -0.0064128000000000, -0.0030090000000000, 0.0014833300000000 ] - [ -0.0001574100000000, -0.0002696400000000, 0.0001160600000000 ] - [ -0.0014852500000000, -0.0022356600000000, 0.0058267800000000 ] - [ -0.0006001900000000, 0.0000198500000000, -0.0003215400000000 ] - [ -0.0038903900000000, 0.0061465700000000, 0.0081056200000000 ] - [ -0.0000523500000000, 0.0004943800000000, 0.0010634000000000 ] - [ -0.0006700900000000, -0.0000360700000000, 0.0000589700000000 ] - [ 0.0004184900000000, 0.0001035500000000, 0.0007171300000000 ]- atom: 76 displacement: [ 0.0020666810454366, 0.0000000000000000, -0.0097841110713459 ] forces: - [ 0.0000743900000000, -0.0000714300000000, 0.0000336200000000 ] - [ -0.0000542900000000, 0.0000928700000000, -0.0000264200000000 ] - [ -0.0001093500000000, -0.0001748900000000, 0.0003689300000000 ] - [ 0.0000051100000000, -0.0013752300000000, 0.0012345600000000 ] - [ -0.0003074000000000, -0.0000484100000000, -0.0005102700000000 ] - [ 0.0003080000000000, -0.0000493400000000, 0.0005038400000000 ] - [ 0.0483876400000000, 0.0395511400000000, -0.1733095900000000 ] - [ -0.0006539700000000, 0.0002566000000000, 0.0026601900000000 ] - [ -0.0003048700000000, 0.0002346200000000, -0.0000985000000000 ] - [ -0.0002037300000000, -0.0002772100000000, -0.0000369300000000 ] - [ 0.0004502200000000, 0.0010447900000000, -0.0010165000000000 ] - [ 0.0007208200000000, -0.0002373800000000, 0.0007161200000000 ] - [ 0.0000538900000000, 0.0002561300000000, 0.0007688000000000 ] - [ -0.0001334500000000, -0.0001433800000000, 0.0001603000000000 ] - [ 0.0001344600000000, 0.0004613300000000, 0.0001935000000000 ] - [ 0.0000313000000000, 0.0001631900000000, 0.0000535100000000 ] - [ 0.0001011300000000, -0.0003471300000000, 0.0004054200000000 ] - [ -0.0001944200000000, 0.0004673600000000, -0.0003240500000000 ] - [ -0.0002003900000000, -0.0003369200000000, -0.0003465700000000 ] - [ -0.0001251900000000, -0.0004383600000000, 0.0008145000000000 ] - [ -0.0003307200000000, -0.0002638900000000, 0.0001328800000000 ] - [ 0.0002679100000000, -0.0000810300000000, -0.0000197400000000 ] - [ 0.0006177800000000, -0.0000277200000000, -0.0004162000000000 ] - [ 0.0001553600000000, -0.0000070400000000, -0.0001859100000000 ] - [ -0.0001147100000000, 0.0003076100000000, -0.0001101400000000 ] - [ -0.0000135000000000, -0.0000374400000000, -0.0003101600000000 ] - [ -0.0001862900000000, -0.0004128000000000, -0.0003341700000000 ] - [ -0.0000966000000000, -0.0002013400000000, 0.0002231500000000 ] - [ -0.0003776100000000, 0.0004479800000000, -0.0003863900000000 ] - [ 0.0001672200000000, 0.0003180700000000, 0.0007893900000000 ] - [ -0.0000411700000000, -0.0003690200000000, -0.0000454100000000 ] - [ 0.0001516300000000, 0.0000075600000000, 0.0000557700000000 ] - [ -0.0000256000000000, 0.0001946400000000, -0.0006489500000000 ] - [ 0.0005676600000000, 0.0002439800000000, -0.0002499800000000 ] - [ -0.0001656200000000, -0.0004628900000000, 0.0003015900000000 ] - [ 0.0000093900000000, 0.0000560200000000, -0.0002331700000000 ] - [ -0.0000684800000000, -0.0000884200000000, 0.0001871600000000 ] - [ 0.0005437300000000, -0.0002610300000000, 0.0004169300000000 ] - [ 0.0003558000000000, -0.0000289200000000, -0.0000058100000000 ] - [ -0.0003836200000000, -0.0002418100000000, -0.0000320100000000 ] - [ -0.0004360300000000, 0.0002884700000000, 0.0001619300000000 ] - [ -0.0004260300000000, -0.0006264000000000, 0.0001562700000000 ] - [ 0.0000228700000000, 0.0003514200000000, -0.0009070300000000 ] - [ 0.0000358600000000, -0.0000476100000000, 0.0003363700000000 ] - [ -0.0000537700000000, 0.0005520300000000, 0.0011764400000000 ] - [ 0.0001500800000000, -0.0002199600000000, -0.0002485400000000 ] - [ 0.0010285000000000, -0.0002389500000000, -0.0009444700000000 ] - [ -0.0002979700000000, 0.0005393000000000, -0.0006977200000000 ] - [ 0.0001995600000000, -0.0004719600000000, 0.0005648800000000 ] - [ -0.0001129900000000, 0.0004777500000000, -0.0003492500000000 ] - [ 0.0000616200000000, -0.0003565800000000, -0.0006778600000000 ] - [ -0.0006431100000000, -0.0000095700000000, 0.0012534800000000 ] - [ -0.0000683300000000, 0.0001399000000000, -0.0000349100000000 ] - [ 0.0003560400000000, -0.0000346000000000, -0.0000504300000000 ] - [ 0.0000840000000000, 0.0002331900000000, 0.0002141500000000 ] - [ 0.0001322300000000, -0.0000235600000000, -0.0002130700000000 ] - [ -0.0000891400000000, 0.0002547700000000, 0.0000229400000000 ] - [ -0.0004497100000000, 0.0001640200000000, -0.0005304100000000 ] - [ -0.0001311700000000, -0.0004729300000000, -0.0001777000000000 ] - [ -0.0000542400000000, -0.0001491500000000, 0.0001618400000000 ] - [ -0.0003471000000000, 0.0002202800000000, -0.0005156500000000 ] - [ 0.0004078700000000, 0.0004403300000000, 0.0004098000000000 ] - [ 0.0002341000000000, -0.0003840900000000, -0.0001849300000000 ] - [ 0.0000192300000000, 0.0000134700000000, 0.0001676100000000 ] - [ 0.0000283600000000, -0.0000999100000000, -0.0001930300000000 ] - [ 0.0004950200000000, 0.0001368900000000, -0.0003683800000000 ] - [ -0.0001109900000000, -0.0003128900000000, -0.0002449200000000 ] - [ -0.0001683100000000, 0.0001042100000000, -0.0001361300000000 ] - [ -0.0012310200000000, 0.0001678500000000, 0.0007294700000000 ] - [ 0.0001802800000000, -0.0004247400000000, 0.0002901500000000 ] - [ -0.0002034100000000, -0.0000294600000000, 0.0001720800000000 ] - [ -0.0004255800000000, -0.0001045100000000, 0.0000651700000000 ] - [ 0.0006035200000000, -0.0000055300000000, -0.0002672100000000 ] - [ -0.0002826000000000, -0.0001448400000000, -0.0006684800000000 ] - [ -0.0004705100000000, 0.0001345400000000, -0.0003952600000000 ] - [ -0.0550851200000000, -0.0434403000000000, 0.1973790800000000 ] - [ 0.0006000200000000, -0.0000312500000000, 0.0003744000000000 ] - [ -0.0000203300000000, -0.0004295300000000, -0.0007452100000000 ] - [ 0.0001872700000000, -0.0003058700000000, 0.0001441200000000 ] - [ -0.0064023500000000, 0.0005947800000000, -0.0084112100000000 ] - [ 0.0006513000000000, 0.0000460600000000, -0.0000487100000000 ] - [ 0.0001893100000000, 0.0002797900000000, -0.0000585400000000 ] - [ -0.0011597700000000, 0.0066699600000000, -0.0007407200000000 ] - [ 0.0003434500000000, 0.0000288300000000, 0.0000912600000000 ] - [ 0.0007367500000000, -0.0000282300000000, -0.0006411700000000 ] - [ -0.0006308100000000, -0.0000089700000000, -0.0003413900000000 ] - [ -0.0006649800000000, 0.0000510700000000, 0.0000557000000000 ] - [ -0.0001505800000000, 0.0002729100000000, 0.0001018200000000 ] - [ 0.0074246300000000, 0.0029835500000000, -0.0009756700000000 ] - [ -0.0002336400000000, -0.0003128200000000, -0.0001907200000000 ] - [ 0.0018800300000000, 0.0016599500000000, -0.0057597400000000 ] - [ -0.0002982800000000, 0.0000423600000000, -0.0001214300000000 ] - [ 0.0052505000000000, -0.0063030600000000, -0.0085640900000000 ] - [ 0.0004430600000000, 0.0000893900000000, -0.0009855500000000 ] - [ -0.0005933400000000, -0.0000011400000000, 0.0002596900000000 ] - [ 0.0004832700000000, -0.0000395100000000, -0.0002724100000000 ]