# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/04ff18a1-27f9-4a49-8f40-38b674616eac/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 TlGeS2 / Pnma (62) / materials id 3075](https://mdr.nims.go.jp/datasets/3a103727-225d-47b5-8bb6-49261f39714f) ## 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: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.803615239999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.583435020000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.820552510000001 ] # c points: - symbol: S # 1 coordinates: [ 0.653508230000000, 0.006066420000000, 0.345667670000000 ] mass: 32.065000 - symbol: S # 2 coordinates: [ 0.153508230000000, 0.006066420000000, 0.154332330000000 ] mass: 32.065000 - symbol: S # 3 coordinates: [ 0.846491770000000, 0.506066420000000, 0.845667670000000 ] mass: 32.065000 - symbol: S # 4 coordinates: [ 0.653508230000000, 0.493933580000000, 0.345667670000000 ] mass: 32.065000 - symbol: S # 5 coordinates: [ 0.346491770000000, 0.993933580000000, 0.654332330000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.846491770000000, 0.993933580000000, 0.845667670000000 ] mass: 32.065000 - symbol: S # 7 coordinates: [ 0.153508230000000, 0.493933580000000, 0.154332330000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.346491770000000, 0.506066420000000, 0.654332330000000 ] mass: 32.065000 - symbol: S # 9 coordinates: [ 0.005392750000000, 0.750000000000000, 0.417466120000000 ] mass: 32.065000 - symbol: S # 10 coordinates: [ 0.994607250000000, 0.250000000000000, 0.582533880000000 ] mass: 32.065000 - symbol: S # 11 coordinates: [ 0.505392750000000, 0.750000000000000, 0.082533880000000 ] mass: 32.065000 - symbol: S # 12 coordinates: [ 0.825131490000000, 0.250000000000000, 0.083080220000000 ] mass: 32.065000 - symbol: S # 13 coordinates: [ 0.674868510000000, 0.750000000000000, 0.583080220000000 ] mass: 32.065000 - symbol: S # 14 coordinates: [ 0.325131490000000, 0.250000000000000, 0.416919780000000 ] mass: 32.065000 - symbol: S # 15 coordinates: [ 0.174868510000000, 0.750000000000000, 0.916919780000000 ] mass: 32.065000 - symbol: S # 16 coordinates: [ 0.494607250000000, 0.250000000000000, 0.917466120000000 ] mass: 32.065000 - symbol: Ge # 17 coordinates: [ 0.085390890000000, 0.250000000000000, 0.038160380000000 ] mass: 72.640000 - symbol: Ge # 18 coordinates: [ 0.739793830000000, 0.250000000000000, 0.931234750000000 ] mass: 72.640000 - symbol: Ge # 19 coordinates: [ 0.260206170000000, 0.750000000000000, 0.068765250000000 ] mass: 72.640000 - symbol: Ge # 20 coordinates: [ 0.239793830000000, 0.250000000000000, 0.568765250000000 ] mass: 72.640000 - symbol: Ge # 21 coordinates: [ 0.760206170000000, 0.750000000000000, 0.431234750000000 ] mass: 72.640000 - symbol: Ge # 22 coordinates: [ 0.585390890000000, 0.250000000000000, 0.461839620000000 ] mass: 72.640000 - symbol: Ge # 23 coordinates: [ 0.414609110000000, 0.750000000000000, 0.538160380000000 ] mass: 72.640000 - symbol: Ge # 24 coordinates: [ 0.914609110000000, 0.750000000000000, 0.961839620000000 ] mass: 72.640000 - symbol: Tl # 25 coordinates: [ 0.861556170000000, 0.750000000000000, 0.186332470000000 ] mass: 204.383300 - symbol: Tl # 26 coordinates: [ 0.138443830000000, 0.250000000000000, 0.813667530000000 ] mass: 204.383300 - symbol: Tl # 27 coordinates: [ 0.361556170000000, 0.750000000000000, 0.313667530000000 ] mass: 204.383300 - symbol: Tl # 28 coordinates: [ 0.638443830000000, 0.250000000000000, 0.686332470000000 ] mass: 204.383300 - symbol: Tl # 29 coordinates: [ 0.521106840000000, 0.750000000000000, 0.863574210000000 ] mass: 204.383300 - symbol: Tl # 30 coordinates: [ 0.478893160000000, 0.250000000000000, 0.136425790000000 ] mass: 204.383300 - symbol: Tl # 31 coordinates: [ 0.021106840000000, 0.750000000000000, 0.636425790000000 ] mass: 204.383300 - symbol: Tl # 32 coordinates: [ 0.978893160000000, 0.250000000000000, 0.363574210000000 ] mass: 204.383300 reciprocal_lattice: # without 2pi - [ 0.113589698406674, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.151896387974070, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.072356007422745 ] # c*unit_cell: lattice: - [ 8.803615239999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.583435020000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.820552510000001 ] # c points: - symbol: S # 1 coordinates: [ 0.653508230000000, 0.006066420000000, 0.345667670000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.153508230000000, 0.006066420000000, 0.154332330000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.846491770000000, 0.506066420000000, 0.845667670000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.653508230000000, 0.493933580000000, 0.345667670000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 5 coordinates: [ 0.346491770000000, 0.993933580000000, 0.654332330000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.846491770000000, 0.993933580000000, 0.845667670000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 7 coordinates: [ 0.153508230000000, 0.493933580000000, 0.154332330000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.346491770000000, 0.506066420000000, 0.654332330000000 ] mass: 32.065000 reduced_to: 8 - symbol: S # 9 coordinates: [ 0.005392750000000, 0.750000000000000, 0.417466120000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.994607250000000, 0.250000000000000, 0.582533880000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.505392750000000, 0.750000000000000, 0.082533880000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.825131490000000, 0.250000000000000, 0.083080220000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 13 coordinates: [ 0.674868510000000, 0.750000000000000, 0.583080220000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.325131490000000, 0.250000000000000, 0.416919780000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 15 coordinates: [ 0.174868510000000, 0.750000000000000, 0.916919780000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 16 coordinates: [ 0.494607250000000, 0.250000000000000, 0.917466120000000 ] mass: 32.065000 reduced_to: 16 - symbol: Ge # 17 coordinates: [ 0.085390890000000, 0.250000000000000, 0.038160380000000 ] mass: 72.640000 reduced_to: 17 - symbol: Ge # 18 coordinates: [ 0.739793830000000, 0.250000000000000, 0.931234750000000 ] mass: 72.640000 reduced_to: 18 - symbol: Ge # 19 coordinates: [ 0.260206170000000, 0.750000000000000, 0.068765250000000 ] mass: 72.640000 reduced_to: 19 - symbol: Ge # 20 coordinates: [ 0.239793830000000, 0.250000000000000, 0.568765250000000 ] mass: 72.640000 reduced_to: 20 - symbol: Ge # 21 coordinates: [ 0.760206170000000, 0.750000000000000, 0.431234750000000 ] mass: 72.640000 reduced_to: 21 - symbol: Ge # 22 coordinates: [ 0.585390890000000, 0.250000000000000, 0.461839620000000 ] mass: 72.640000 reduced_to: 22 - symbol: Ge # 23 coordinates: [ 0.414609110000000, 0.750000000000000, 0.538160380000000 ] mass: 72.640000 reduced_to: 23 - symbol: Ge # 24 coordinates: [ 0.914609110000000, 0.750000000000000, 0.961839620000000 ] mass: 72.640000 reduced_to: 24 - symbol: Tl # 25 coordinates: [ 0.861556170000000, 0.750000000000000, 0.186332470000000 ] mass: 204.383300 reduced_to: 25 - symbol: Tl # 26 coordinates: [ 0.138443830000000, 0.250000000000000, 0.813667530000000 ] mass: 204.383300 reduced_to: 26 - symbol: Tl # 27 coordinates: [ 0.361556170000000, 0.750000000000000, 0.313667530000000 ] mass: 204.383300 reduced_to: 27 - symbol: Tl # 28 coordinates: [ 0.638443830000000, 0.250000000000000, 0.686332470000000 ] mass: 204.383300 reduced_to: 28 - symbol: Tl # 29 coordinates: [ 0.521106840000000, 0.750000000000000, 0.863574210000000 ] mass: 204.383300 reduced_to: 29 - symbol: Tl # 30 coordinates: [ 0.478893160000000, 0.250000000000000, 0.136425790000000 ] mass: 204.383300 reduced_to: 30 - symbol: Tl # 31 coordinates: [ 0.021106840000000, 0.750000000000000, 0.636425790000000 ] mass: 204.383300 reduced_to: 31 - symbol: Tl # 32 coordinates: [ 0.978893160000000, 0.250000000000000, 0.363574210000000 ] mass: 204.383300 reduced_to: 32supercell: lattice: - [ 17.607230479999998, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.166870039999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.820552510000001 ] # c points: - symbol: S # 1 coordinates: [ 0.326754115000000, 0.003033210000000, 0.345667670000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.826754115000000, 0.003033210000000, 0.345667670000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 3 coordinates: [ 0.326754115000000, 0.503033210000000, 0.345667670000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 4 coordinates: [ 0.826754115000000, 0.503033210000000, 0.345667670000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 5 coordinates: [ 0.076754115000000, 0.003033210000000, 0.154332330000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.576754115000000, 0.003033210000000, 0.154332330000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 7 coordinates: [ 0.076754115000000, 0.503033210000000, 0.154332330000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 8 coordinates: [ 0.576754115000000, 0.503033210000000, 0.154332330000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 9 coordinates: [ 0.423245885000000, 0.253033210000000, 0.845667670000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.923245885000000, 0.253033210000000, 0.845667670000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 11 coordinates: [ 0.423245885000000, 0.753033210000000, 0.845667670000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 12 coordinates: [ 0.923245885000000, 0.753033210000000, 0.845667670000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 13 coordinates: [ 0.326754115000000, 0.246966790000000, 0.345667670000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.826754115000000, 0.246966790000000, 0.345667670000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 15 coordinates: [ 0.326754115000000, 0.746966790000000, 0.345667670000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 16 coordinates: [ 0.826754115000000, 0.746966790000000, 0.345667670000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 17 coordinates: [ 0.173245885000000, 0.496966790000000, 0.654332330000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.673245885000000, 0.496966790000000, 0.654332330000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 19 coordinates: [ 0.173245885000000, 0.996966790000000, 0.654332330000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 20 coordinates: [ 0.673245885000000, 0.996966790000000, 0.654332330000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 21 coordinates: [ 0.423245885000000, 0.496966790000000, 0.845667670000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 22 coordinates: [ 0.923245885000000, 0.496966790000000, 0.845667670000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 23 coordinates: [ 0.423245885000000, 0.996966790000000, 0.845667670000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 24 coordinates: [ 0.923245885000000, 0.996966790000000, 0.845667670000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 25 coordinates: [ 0.076754115000000, 0.246966790000000, 0.154332330000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.576754115000000, 0.246966790000000, 0.154332330000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 27 coordinates: [ 0.076754115000000, 0.746966790000000, 0.154332330000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 28 coordinates: [ 0.576754115000000, 0.746966790000000, 0.154332330000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 29 coordinates: [ 0.173245885000000, 0.253033210000000, 0.654332330000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.673245885000000, 0.253033210000000, 0.654332330000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 31 coordinates: [ 0.173245885000000, 0.753033210000000, 0.654332330000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 32 coordinates: [ 0.673245885000000, 0.753033210000000, 0.654332330000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 33 coordinates: [ 0.002696375000000, 0.375000000000000, 0.417466120000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.502696375000000, 0.375000000000000, 0.417466120000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 35 coordinates: [ 0.002696375000000, 0.875000000000000, 0.417466120000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 36 coordinates: [ 0.502696375000000, 0.875000000000000, 0.417466120000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 37 coordinates: [ 0.497303625000000, 0.125000000000000, 0.582533880000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.997303625000000, 0.125000000000000, 0.582533880000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 39 coordinates: [ 0.497303625000000, 0.625000000000000, 0.582533880000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 40 coordinates: [ 0.997303625000000, 0.625000000000000, 0.582533880000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 41 coordinates: [ 0.252696375000000, 0.375000000000000, 0.082533880000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.752696375000000, 0.375000000000000, 0.082533880000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 43 coordinates: [ 0.252696375000000, 0.875000000000000, 0.082533880000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 44 coordinates: [ 0.752696375000000, 0.875000000000000, 0.082533880000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 45 coordinates: [ 0.412565745000000, 0.125000000000000, 0.083080220000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.912565745000000, 0.125000000000000, 0.083080220000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 47 coordinates: [ 0.412565745000000, 0.625000000000000, 0.083080220000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 48 coordinates: [ 0.912565745000000, 0.625000000000000, 0.083080220000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 49 coordinates: [ 0.337434255000000, 0.375000000000000, 0.583080220000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.837434255000000, 0.375000000000000, 0.583080220000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 51 coordinates: [ 0.337434255000000, 0.875000000000000, 0.583080220000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 52 coordinates: [ 0.837434255000000, 0.875000000000000, 0.583080220000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 53 coordinates: [ 0.162565745000000, 0.125000000000000, 0.416919780000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 54 coordinates: [ 0.662565745000000, 0.125000000000000, 0.416919780000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 55 coordinates: [ 0.162565745000000, 0.625000000000000, 0.416919780000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 56 coordinates: [ 0.662565745000000, 0.625000000000000, 0.416919780000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 57 coordinates: [ 0.087434255000000, 0.375000000000000, 0.916919780000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 58 coordinates: [ 0.587434255000000, 0.375000000000000, 0.916919780000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 59 coordinates: [ 0.087434255000000, 0.875000000000000, 0.916919780000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 60 coordinates: [ 0.587434255000000, 0.875000000000000, 0.916919780000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 61 coordinates: [ 0.247303625000000, 0.125000000000000, 0.917466120000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 62 coordinates: [ 0.747303625000000, 0.125000000000000, 0.917466120000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 63 coordinates: [ 0.247303625000000, 0.625000000000000, 0.917466120000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 64 coordinates: [ 0.747303625000000, 0.625000000000000, 0.917466120000000 ] mass: 32.065000 reduced_to: 61 - symbol: Ge # 65 coordinates: [ 0.042695445000000, 0.125000000000000, 0.038160380000000 ] mass: 72.640000 reduced_to: 65 - symbol: Ge # 66 coordinates: [ 0.542695445000000, 0.125000000000000, 0.038160380000000 ] mass: 72.640000 reduced_to: 65 - symbol: Ge # 67 coordinates: [ 0.042695445000000, 0.625000000000000, 0.038160380000000 ] mass: 72.640000 reduced_to: 65 - symbol: Ge # 68 coordinates: [ 0.542695445000000, 0.625000000000000, 0.038160380000000 ] mass: 72.640000 reduced_to: 65 - symbol: Ge # 69 coordinates: [ 0.369896915000000, 0.125000000000000, 0.931234750000000 ] mass: 72.640000 reduced_to: 69 - symbol: Ge # 70 coordinates: [ 0.869896915000000, 0.125000000000000, 0.931234750000000 ] mass: 72.640000 reduced_to: 69 - symbol: Ge # 71 coordinates: [ 0.369896915000000, 0.625000000000000, 0.931234750000000 ] mass: 72.640000 reduced_to: 69 - symbol: Ge # 72 coordinates: [ 0.869896915000000, 0.625000000000000, 0.931234750000000 ] mass: 72.640000 reduced_to: 69 - symbol: Ge # 73 coordinates: [ 0.130103085000000, 0.375000000000000, 0.068765250000000 ] mass: 72.640000 reduced_to: 73 - symbol: Ge # 74 coordinates: [ 0.630103085000000, 0.375000000000000, 0.068765250000000 ] mass: 72.640000 reduced_to: 73 - symbol: Ge # 75 coordinates: [ 0.130103085000000, 0.875000000000000, 0.068765250000000 ] mass: 72.640000 reduced_to: 73 - symbol: Ge # 76 coordinates: [ 0.630103085000000, 0.875000000000000, 0.068765250000000 ] mass: 72.640000 reduced_to: 73 - symbol: Ge # 77 coordinates: [ 0.119896915000000, 0.125000000000000, 0.568765250000000 ] mass: 72.640000 reduced_to: 77 - symbol: Ge # 78 coordinates: [ 0.619896915000000, 0.125000000000000, 0.568765250000000 ] mass: 72.640000 reduced_to: 77 - symbol: Ge # 79 coordinates: [ 0.119896915000000, 0.625000000000000, 0.568765250000000 ] mass: 72.640000 reduced_to: 77 - symbol: Ge # 80 coordinates: [ 0.619896915000000, 0.625000000000000, 0.568765250000000 ] mass: 72.640000 reduced_to: 77 - symbol: Ge # 81 coordinates: [ 0.380103085000000, 0.375000000000000, 0.431234750000000 ] mass: 72.640000 reduced_to: 81 - symbol: Ge # 82 coordinates: [ 0.880103085000000, 0.375000000000000, 0.431234750000000 ] mass: 72.640000 reduced_to: 81 - symbol: Ge # 83 coordinates: [ 0.380103085000000, 0.875000000000000, 0.431234750000000 ] mass: 72.640000 reduced_to: 81 - symbol: Ge # 84 coordinates: [ 0.880103085000000, 0.875000000000000, 0.431234750000000 ] mass: 72.640000 reduced_to: 81 - symbol: Ge # 85 coordinates: [ 0.292695445000000, 0.125000000000000, 0.461839620000000 ] mass: 72.640000 reduced_to: 85 - symbol: Ge # 86 coordinates: [ 0.792695445000000, 0.125000000000000, 0.461839620000000 ] mass: 72.640000 reduced_to: 85 - symbol: Ge # 87 coordinates: [ 0.292695445000000, 0.625000000000000, 0.461839620000000 ] mass: 72.640000 reduced_to: 85 - symbol: Ge # 88 coordinates: [ 0.792695445000000, 0.625000000000000, 0.461839620000000 ] mass: 72.640000 reduced_to: 85 - symbol: Ge # 89 coordinates: [ 0.207304555000000, 0.375000000000000, 0.538160380000000 ] mass: 72.640000 reduced_to: 89 - symbol: Ge # 90 coordinates: [ 0.707304555000000, 0.375000000000000, 0.538160380000000 ] mass: 72.640000 reduced_to: 89 - symbol: Ge # 91 coordinates: [ 0.207304555000000, 0.875000000000000, 0.538160380000000 ] mass: 72.640000 reduced_to: 89 - symbol: Ge # 92 coordinates: [ 0.707304555000000, 0.875000000000000, 0.538160380000000 ] mass: 72.640000 reduced_to: 89 - symbol: Ge # 93 coordinates: [ 0.457304555000000, 0.375000000000000, 0.961839620000000 ] mass: 72.640000 reduced_to: 93 - symbol: Ge # 94 coordinates: [ 0.957304555000000, 0.375000000000000, 0.961839620000000 ] mass: 72.640000 reduced_to: 93 - symbol: Ge # 95 coordinates: [ 0.457304555000000, 0.875000000000000, 0.961839620000000 ] mass: 72.640000 reduced_to: 93 - symbol: Ge # 96 coordinates: [ 0.957304555000000, 0.875000000000000, 0.961839620000000 ] mass: 72.640000 reduced_to: 93 - symbol: Tl # 97 coordinates: [ 0.430778085000000, 0.375000000000000, 0.186332470000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 98 coordinates: [ 0.930778085000000, 0.375000000000000, 0.186332470000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 99 coordinates: [ 0.430778085000000, 0.875000000000000, 0.186332470000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 100 coordinates: [ 0.930778085000000, 0.875000000000000, 0.186332470000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 101 coordinates: [ 0.069221915000000, 0.125000000000000, 0.813667530000000 ] mass: 204.383300 reduced_to: 101 - symbol: Tl # 102 coordinates: [ 0.569221915000000, 0.125000000000000, 0.813667530000000 ] mass: 204.383300 reduced_to: 101 - symbol: Tl # 103 coordinates: [ 0.069221915000000, 0.625000000000000, 0.813667530000000 ] mass: 204.383300 reduced_to: 101 - symbol: Tl # 104 coordinates: [ 0.569221915000000, 0.625000000000000, 0.813667530000000 ] mass: 204.383300 reduced_to: 101 - symbol: Tl # 105 coordinates: [ 0.180778085000000, 0.375000000000000, 0.313667530000000 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 106 coordinates: [ 0.680778085000000, 0.375000000000000, 0.313667530000000 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 107 coordinates: [ 0.180778085000000, 0.875000000000000, 0.313667530000000 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 108 coordinates: [ 0.680778085000000, 0.875000000000000, 0.313667530000000 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 109 coordinates: [ 0.319221915000000, 0.125000000000000, 0.686332470000000 ] mass: 204.383300 reduced_to: 109 - symbol: Tl # 110 coordinates: [ 0.819221915000000, 0.125000000000000, 0.686332470000000 ] mass: 204.383300 reduced_to: 109 - symbol: Tl # 111 coordinates: [ 0.319221915000000, 0.625000000000000, 0.686332470000000 ] mass: 204.383300 reduced_to: 109 - symbol: Tl # 112 coordinates: [ 0.819221915000000, 0.625000000000000, 0.686332470000000 ] mass: 204.383300 reduced_to: 109 - symbol: Tl # 113 coordinates: [ 0.260553420000000, 0.375000000000000, 0.863574210000000 ] mass: 204.383300 reduced_to: 113 - symbol: Tl # 114 coordinates: [ 0.760553420000000, 0.375000000000000, 0.863574210000000 ] mass: 204.383300 reduced_to: 113 - symbol: Tl # 115 coordinates: [ 0.260553420000000, 0.875000000000000, 0.863574210000000 ] mass: 204.383300 reduced_to: 113 - symbol: Tl # 116 coordinates: [ 0.760553420000000, 0.875000000000000, 0.863574210000000 ] mass: 204.383300 reduced_to: 113 - symbol: Tl # 117 coordinates: [ 0.239446580000000, 0.125000000000000, 0.136425790000000 ] mass: 204.383300 reduced_to: 117 - symbol: Tl # 118 coordinates: [ 0.739446580000000, 0.125000000000000, 0.136425790000000 ] mass: 204.383300 reduced_to: 117 - symbol: Tl # 119 coordinates: [ 0.239446580000000, 0.625000000000000, 0.136425790000000 ] mass: 204.383300 reduced_to: 117 - symbol: Tl # 120 coordinates: [ 0.739446580000000, 0.625000000000000, 0.136425790000000 ] mass: 204.383300 reduced_to: 117 - symbol: Tl # 121 coordinates: [ 0.010553420000000, 0.375000000000000, 0.636425790000000 ] mass: 204.383300 reduced_to: 121 - symbol: Tl # 122 coordinates: [ 0.510553420000000, 0.375000000000000, 0.636425790000000 ] mass: 204.383300 reduced_to: 121 - symbol: Tl # 123 coordinates: [ 0.010553420000000, 0.875000000000000, 0.636425790000000 ] mass: 204.383300 reduced_to: 121 - symbol: Tl # 124 coordinates: [ 0.510553420000000, 0.875000000000000, 0.636425790000000 ] mass: 204.383300 reduced_to: 121 - symbol: Tl # 125 coordinates: [ 0.489446580000000, 0.125000000000000, 0.363574210000000 ] mass: 204.383300 reduced_to: 125 - symbol: Tl # 126 coordinates: [ 0.989446580000000, 0.125000000000000, 0.363574210000000 ] mass: 204.383300 reduced_to: 125 - symbol: Tl # 127 coordinates: [ 0.489446580000000, 0.625000000000000, 0.363574210000000 ] mass: 204.383300 reduced_to: 125 - symbol: Tl # 128 coordinates: [ 0.989446580000000, 0.625000000000000, 0.363574210000000 ] mass: 204.383300 reduced_to: 125displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0402953800000000, 0.0419242800000000, -0.0083094000000000 ] - [ 0.0007173000000000, 0.0075000900000000, -0.0011141000000000 ] - [ 0.0000638400000000, 0.0068244200000000, -0.0011450400000000 ] - [ 0.0004857700000000, 0.0077017700000000, -0.0010884900000000 ] - [ 0.0002789000000000, 0.0075350800000000, 0.0012872400000000 ] - [ 0.0002778700000000, 0.0078633500000000, 0.0010021500000000 ] - [ 0.0002498600000000, 0.0077867600000000, 0.0010671900000000 ] - [ 0.0002482400000000, 0.0077192400000000, 0.0010279400000000 ] - [ -0.0004490700000000, 0.0076452700000000, -0.0011520300000000 ] - [ -0.0000582100000000, 0.0078066900000000, -0.0010384100000000 ] - [ -0.0004481200000000, 0.0073947400000000, -0.0013533000000000 ] - [ -0.0000581500000000, 0.0077859800000000, -0.0010104000000000 ] - [ -0.0019457000000000, -0.0095218800000000, -0.0021953400000000 ] - [ 0.0003506200000000, -0.0075466300000000, -0.0011716600000000 ] - [ -0.0015809300000000, -0.0090607100000000, 0.0001699500000000 ] - [ 0.0006860800000000, -0.0077357400000000, -0.0010046100000000 ] - [ -0.0003021600000000, -0.0077393600000000, 0.0009314500000000 ] - [ -0.0001314100000000, -0.0078032400000000, 0.0011274200000000 ] - [ -0.0001522000000000, -0.0076942800000000, 0.0007233700000000 ] - [ -0.0000693300000000, -0.0077854600000000, 0.0012390600000000 ] - [ -0.0003710400000000, -0.0078245400000000, -0.0011278900000000 ] - [ -0.0000678300000000, -0.0077542400000000, -0.0010032500000000 ] - [ -0.0003670600000000, -0.0074223700000000, -0.0013150500000000 ] - [ -0.0000429400000000, -0.0078204200000000, -0.0010265800000000 ] - [ 0.0003366300000000, -0.0078779300000000, 0.0011044900000000 ] - [ 0.0003367300000000, -0.0074950200000000, 0.0008905200000000 ] - [ 0.0007164000000000, -0.0066926600000000, 0.0021056100000000 ] - [ 0.0007200700000000, -0.0080447600000000, 0.0006927200000000 ] - [ -0.0003619800000000, 0.0074562000000000, 0.0006211500000000 ] - [ -0.0000949600000000, 0.0078603000000000, 0.0011899100000000 ] - [ -0.0003655700000000, 0.0080468100000000, 0.0004190100000000 ] - [ -0.0000949900000000, 0.0077344300000000, 0.0011463100000000 ] - [ 0.0054567000000000, 0.0000230600000000, 0.0100631700000000 ] - [ 0.0039919200000000, 0.0009555100000000, 0.0104719400000000 ] - [ 0.0060886800000000, 0.0000710300000000, 0.0101104000000000 ] - [ 0.0116185200000000, -0.0054672400000000, 0.0126488300000000 ] - [ -0.0050737600000000, 0.0001024900000000, -0.0094428000000000 ] - [ -0.0040102600000000, 0.0001735600000000, -0.0106766600000000 ] - [ -0.0049648000000000, -0.0002979700000000, -0.0097710100000000 ] - [ -0.0049466200000000, -0.0000020700000000, -0.0100705800000000 ] - [ 0.0049230300000000, -0.0000982600000000, -0.0100199300000000 ] - [ 0.0052363000000000, 0.0000560900000000, -0.0101197100000000 ] - [ 0.0046572000000000, -0.0000565300000000, -0.0098146500000000 ] - [ 0.0052933800000000, 0.0000170000000000, -0.0101924700000000 ] - [ -0.0016839700000000, 0.0001341000000000, -0.0014544500000000 ] - [ -0.0012019800000000, -0.0000009300000000, -0.0013961500000000 ] - [ -0.0017671200000000, -0.0000817100000000, -0.0015080200000000 ] - [ -0.0011267500000000, 0.0000298800000000, -0.0013147400000000 ] - [ 0.0010379500000000, -0.0004052600000000, -0.0015461100000000 ] - [ 0.0017698300000000, 0.0000425500000000, -0.0013724000000000 ] - [ -0.0006009900000000, -0.0000303800000000, -0.0014182400000000 ] - [ 0.0023516100000000, -0.0000242200000000, -0.0014073600000000 ] - [ 0.0017275800000000, -0.0036290900000000, -0.0037312000000000 ] - [ 0.0004256000000000, 0.0000056700000000, 0.0018314600000000 ] - [ -0.0018197500000000, 0.0006733800000000, 0.0008167700000000 ] - [ -0.0011038100000000, -0.0000750900000000, 0.0015005700000000 ] - [ 0.0015064400000000, 0.0000262500000000, 0.0014525700000000 ] - [ 0.0014660200000000, 0.0000593300000000, 0.0012555000000000 ] - [ 0.0014578400000000, -0.0000244300000000, 0.0015194700000000 ] - [ 0.0016919100000000, 0.0000623400000000, 0.0011515100000000 ] - [ -0.0055347100000000, -0.0000188600000000, 0.0102505600000000 ] - [ -0.0048081300000000, 0.0000097700000000, 0.0100492700000000 ] - [ -0.0053393500000000, -0.0000299000000000, 0.0100815300000000 ] - [ -0.0047729300000000, -0.0000164500000000, 0.0100868400000000 ] - [ -0.0021105200000000, 0.0001179900000000, -0.0024681900000000 ] - [ -0.0015741000000000, -0.0000454600000000, -0.0022370000000000 ] - [ -0.0020883300000000, -0.0006061300000000, -0.0023699300000000 ] - [ -0.0017539900000000, 0.0002437000000000, -0.0022271500000000 ] - [ 0.0004329300000000, -0.0002035500000000, 0.0029323700000000 ] - [ -0.0005805400000000, -0.0000067400000000, 0.0026938200000000 ] - [ 0.0002473100000000, 0.0001474500000000, 0.0028843000000000 ] - [ -0.0005654900000000, 0.0000581900000000, 0.0026137500000000 ] - [ 0.0003432300000000, 0.0000341500000000, -0.0028965600000000 ] - [ -0.0000396400000000, -0.0002784300000000, -0.0026579100000000 ] - [ 0.0005429100000000, 0.0002853500000000, -0.0034809900000000 ] - [ -0.0001740900000000, -0.0001009500000000, -0.0026509200000000 ] - [ -0.0000946500000000, -0.0011372300000000, -0.0004706200000000 ] - [ -0.0005902000000000, -0.0000732700000000, -0.0034693800000000 ] - [ -0.0005951200000000, 0.0000322100000000, -0.0024482400000000 ] - [ -0.0005708500000000, 0.0002548800000000, -0.0029847500000000 ] - [ 0.0021823100000000, 0.0009030300000000, 0.0033725400000000 ] - [ -0.0002544500000000, -0.0001419200000000, 0.0027353000000000 ] - [ 0.0171901600000000, -0.0193581500000000, 0.0171434700000000 ] - [ -0.0008357800000000, 0.0000928400000000, 0.0025275600000000 ] - [ 0.0042644900000000, -0.0056858800000000, -0.0025327500000000 ] - [ -0.0025284500000000, 0.0000264200000000, 0.0028078200000000 ] - [ -0.0011748000000000, 0.0004993200000000, 0.0018207200000000 ] - [ -0.0021708200000000, -0.0000298900000000, 0.0024132200000000 ] - [ 0.0020428100000000, 0.0003550400000000, -0.0022837200000000 ] - [ 0.0017036800000000, -0.0000699800000000, -0.0023751200000000 ] - [ 0.0026513900000000, -0.0002047200000000, -0.0006250200000000 ] - [ 0.0012726600000000, 0.0000170700000000, -0.0027699000000000 ] - [ 0.0019845200000000, 0.0000976900000000, 0.0024332700000000 ] - [ 0.0017503400000000, -0.0000425600000000, 0.0023206900000000 ] - [ 0.0019545000000000, -0.0001990100000000, 0.0024856200000000 ] - [ 0.0017432400000000, 0.0000076200000000, 0.0022485400000000 ] - [ -0.0004462200000000, -0.0000461800000000, 0.0003969900000000 ] - [ -0.0010403500000000, -0.0000119300000000, 0.0004338600000000 ] - [ 0.0002862800000000, -0.0015419500000000, -0.0000398300000000 ] - [ -0.0012275700000000, 0.0000635800000000, 0.0003556800000000 ] - [ 0.0007206400000000, 0.0000072900000000, -0.0002112900000000 ] - [ 0.0008303600000000, -0.0000835700000000, -0.0005183700000000 ] - [ 0.0007394100000000, -0.0000277300000000, -0.0004787200000000 ] - [ 0.0007733200000000, 0.0000651900000000, -0.0004507600000000 ] - [ -0.0007310300000000, 0.0002181500000000, -0.0004861500000000 ] - [ -0.0009884800000000, -0.0001049100000000, -0.0003308600000000 ] - [ 0.0043466600000000, 0.0027045600000000, -0.0007110900000000 ] - [ -0.0015453800000000, -0.0000009000000000, -0.0001026100000000 ] - [ 0.0012587700000000, -0.0000839800000000, 0.0008386600000000 ] - [ 0.0005027800000000, -0.0000045100000000, 0.0001796800000000 ] - [ 0.0011778900000000, 0.0000993600000000, 0.0003796500000000 ] - [ 0.0006058300000000, 0.0000109900000000, 0.0002589900000000 ] - [ 0.0006538700000000, 0.0001034100000000, -0.0004436000000000 ] - [ 0.0003530400000000, -0.0000152200000000, -0.0004761700000000 ] - [ 0.0007013200000000, -0.0000816100000000, -0.0004938900000000 ] - [ 0.0002942800000000, 0.0000309300000000, -0.0004725000000000 ] - [ -0.0004770400000000, 0.0002140800000000, 0.0003418100000000 ] - [ -0.0007074800000000, -0.0000276300000000, 0.0005839500000000 ] - [ -0.0001585400000000, -0.0001088800000000, 0.0003646200000000 ] - [ -0.0007341400000000, 0.0000553100000000, 0.0005664900000000 ] - [ 0.0002970500000000, 0.0001279800000000, 0.0004550100000000 ] - [ 0.0006164700000000, -0.0000237300000000, 0.0003597000000000 ] - [ 0.0003310500000000, -0.0001298900000000, 0.0005982400000000 ] - [ 0.0007390500000000, -0.0000755000000000, -0.0006725900000000 ] - [ 0.0020368900000000, -0.0000047400000000, -0.0009997000000000 ] - [ -0.0010463400000000, 0.0000146900000000, -0.0007179900000000 ] - [ -0.0001284800000000, 0.0008867300000000, -0.0002449600000000 ] - [ -0.0007954400000000, -0.0001682900000000, -0.0004709900000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0408143300000000, -0.0258832800000000, 0.0060446700000000 ] - [ -0.0002487500000000, 0.0080256800000000, -0.0010195100000000 ] - [ 0.0004006100000000, 0.0087018800000000, -0.0009914000000000 ] - [ -0.0000155200000000, 0.0078229800000000, -0.0010449100000000 ] - [ 0.0001916700000000, 0.0079880400000000, 0.0008480000000000 ] - [ 0.0001908300000000, 0.0076635200000000, 0.0011323700000000 ] - [ 0.0002210900000000, 0.0077349300000000, 0.0010662900000000 ] - [ 0.0002198500000000, 0.0078046700000000, 0.0011054000000000 ] - [ -0.0000244000000000, 0.0078726500000000, -0.0009846400000000 ] - [ -0.0004106500000000, 0.0077180800000000, -0.0010955700000000 ] - [ -0.0000234300000000, 0.0081262300000000, -0.0007860900000000 ] - [ -0.0004108500000000, 0.0077380700000000, -0.0011234100000000 ] - [ 0.0024303600000000, -0.0060299300000000, 0.0000643100000000 ] - [ 0.0001191700000000, -0.0079764200000000, -0.0009613200000000 ] - [ 0.0020227600000000, -0.0064385600000000, -0.0023038500000000 ] - [ -0.0002172600000000, -0.0077901500000000, -0.0011286400000000 ] - [ -0.0001636200000000, -0.0077879500000000, 0.0012012400000000 ] - [ -0.0003401000000000, -0.0077199400000000, 0.0010076400000000 ] - [ -0.0003121600000000, -0.0078246200000000, 0.0014081300000000 ] - [ -0.0004035800000000, -0.0077371600000000, 0.0008981200000000 ] - [ -0.0001002100000000, -0.0076983500000000, -0.0010071900000000 ] - [ -0.0004016900000000, -0.0077708600000000, -0.0011300500000000 ] - [ -0.0001073100000000, -0.0080937100000000, -0.0008245600000000 ] - [ -0.0004256800000000, -0.0077033000000000, -0.0011067800000000 ] - [ 0.0001315400000000, -0.0076435000000000, 0.0010298100000000 ] - [ 0.0001321200000000, -0.0080267000000000, 0.0012413000000000 ] - [ -0.0002471700000000, -0.0088397500000000, 0.0000212700000000 ] - [ -0.0002435900000000, -0.0074837200000000, 0.0014374400000000 ] - [ -0.0000998200000000, 0.0080650500000000, 0.0015082200000000 ] - [ -0.0003762900000000, 0.0076639200000000, 0.0009451100000000 ] - [ -0.0001030800000000, 0.0074709400000000, 0.0017242400000000 ] - [ -0.0003764900000000, 0.0077873100000000, 0.0009892900000000 ] - [ 0.0045977200000000, -0.0000235300000000, 0.0100709900000000 ] - [ 0.0060531200000000, -0.0009431500000000, 0.0096650900000000 ] - [ 0.0039654000000000, -0.0000716900000000, 0.0100203600000000 ] - [ -0.0014621700000000, 0.0053968600000000, 0.0075164500000000 ] - [ -0.0049817000000000, -0.0001043900000000, -0.0106886500000000 ] - [ -0.0060406100000000, -0.0001757600000000, -0.0094518500000000 ] - [ -0.0050908800000000, 0.0002988900000000, -0.0103611000000000 ] - [ -0.0051019600000000, 0.0000020500000000, -0.0100606700000000 ] - [ 0.0051302200000000, 0.0000998100000000, -0.0101147300000000 ] - [ 0.0048154400000000, -0.0000550700000000, -0.0100155100000000 ] - [ 0.0053991900000000, 0.0000580000000000, -0.0103191600000000 ] - [ 0.0047567100000000, -0.0000162800000000, -0.0099421200000000 ] - [ -0.0012737900000000, -0.0001328200000000, -0.0013617400000000 ] - [ -0.0017541700000000, 0.0000009200000000, -0.0014225700000000 ] - [ -0.0011910000000000, 0.0000808900000000, -0.0013113700000000 ] - [ -0.0018305700000000, -0.0000304800000000, -0.0015053000000000 ] - [ 0.0019139600000000, 0.0003972800000000, -0.0012720800000000 ] - [ 0.0011893400000000, -0.0000419900000000, -0.0014447800000000 ] - [ 0.0035514200000000, 0.0000583700000000, -0.0014427800000000 ] - [ 0.0006054600000000, 0.0000238500000000, -0.0014070800000000 ] - [ -0.0047626200000000, 0.0037010600000000, 0.0065909000000000 ] - [ -0.0033645000000000, -0.0000067200000000, 0.0009903200000000 ] - [ -0.0011354000000000, -0.0006799500000000, 0.0020096500000000 ] - [ -0.0018534600000000, 0.0000747600000000, 0.0013184400000000 ] - [ 0.0014503400000000, -0.0000267200000000, 0.0013655100000000 ] - [ 0.0014891600000000, -0.0000585700000000, 0.0015606200000000 ] - [ 0.0015003800000000, 0.0000250800000000, 0.0012979400000000 ] - [ 0.0012663900000000, -0.0000619900000000, 0.0016640500000000 ] - [ -0.0045084200000000, 0.0000182700000000, 0.0098665300000000 ] - [ -0.0052428800000000, -0.0000097000000000, 0.0100852600000000 ] - [ -0.0047112400000000, 0.0000303600000000, 0.0100521900000000 ] - [ -0.0052785600000000, 0.0000166500000000, 0.0100472300000000 ] - [ -0.0016329700000000, -0.0001182600000000, -0.0022513900000000 ] - [ -0.0021650800000000, 0.0000450000000000, -0.0024824300000000 ] - [ -0.0016552600000000, 0.0006109300000000, -0.0023550500000000 ] - [ -0.0019859400000000, -0.0002419100000000, -0.0024988600000000 ] - [ -0.0009035300000000, 0.0002038000000000, 0.0026341100000000 ] - [ 0.0001107600000000, 0.0000079100000000, 0.0028730000000000 ] - [ -0.0007151400000000, -0.0001460900000000, 0.0026846700000000 ] - [ 0.0000960900000000, -0.0000574600000000, 0.0029542700000000 ] - [ 0.0001228800000000, -0.0000357700000000, -0.0026686000000000 ] - [ 0.0005070600000000, 0.0002733100000000, -0.0029074800000000 ] - [ -0.0000798800000000, -0.0002899400000000, -0.0020778400000000 ] - [ 0.0006410300000000, 0.0000968200000000, -0.0029137100000000 ] - [ -0.0003970700000000, 0.0011396000000000, -0.0050931300000000 ] - [ 0.0001291400000000, 0.0000724200000000, -0.0021044900000000 ] - [ 0.0001246200000000, -0.0000330000000000, -0.0031231800000000 ] - [ 0.0001066800000000, -0.0002542600000000, -0.0025814300000000 ] - [ -0.0016863700000000, -0.0008991600000000, 0.0021872600000000 ] - [ 0.0007184600000000, 0.0001420000000000, 0.0028289800000000 ] - [ -0.0166921800000000, 0.0189421200000000, -0.0113639100000000 ] - [ 0.0013017400000000, -0.0000894900000000, 0.0030397800000000 ] - [ -0.0079836800000000, 0.0056836400000000, 0.0071626100000000 ] - [ -0.0012205700000000, -0.0000267800000000, 0.0019159200000000 ] - [ -0.0025811200000000, -0.0004988900000000, 0.0029002400000000 ] - [ -0.0015750300000000, 0.0000312300000000, 0.0023055400000000 ] - [ 0.0016961500000000, -0.0003486100000000, -0.0024359300000000 ] - [ 0.0020400700000000, 0.0000681200000000, -0.0023499700000000 ] - [ 0.0010687900000000, 0.0001944100000000, -0.0041069700000000 ] - [ 0.0024699900000000, -0.0000176700000000, -0.0019573900000000 ] - [ 0.0017594500000000, -0.0000944400000000, 0.0022958900000000 ] - [ 0.0019921400000000, 0.0000437600000000, 0.0024056500000000 ] - [ 0.0017890600000000, 0.0001975600000000, 0.0022424200000000 ] - [ 0.0020004000000000, -0.0000069100000000, 0.0024732800000000 ] - [ -0.0011726100000000, 0.0000459000000000, 0.0003125800000000 ] - [ -0.0005835500000000, 0.0000118000000000, 0.0002761200000000 ] - [ -0.0019049100000000, 0.0015144100000000, 0.0007246900000000 ] - [ -0.0003949600000000, -0.0000645400000000, 0.0003562500000000 ] - [ 0.0008997700000000, -0.0000073900000000, -0.0004963300000000 ] - [ 0.0007953400000000, 0.0000836600000000, -0.0001932800000000 ] - [ 0.0008830300000000, 0.0000285400000000, -0.0002286600000000 ] - [ 0.0008513900000000, -0.0000648600000000, -0.0002596800000000 ] - [ -0.0009017700000000, -0.0002144000000000, -0.0002288300000000 ] - [ -0.0006359400000000, 0.0001035000000000, -0.0003789600000000 ] - [ -0.0062023200000000, -0.0028665400000000, -0.0000316500000000 ] - [ -0.0000804800000000, 0.0000019500000000, -0.0006053400000000 ] - [ 0.0003701100000000, 0.0000828800000000, -0.0001050200000000 ] - [ 0.0011207600000000, 0.0000037000000000, 0.0005289500000000 ] - [ 0.0004446100000000, -0.0001017800000000, 0.0003342100000000 ] - [ 0.0010169500000000, -0.0000108100000000, 0.0004517200000000 ] - [ 0.0003380700000000, -0.0001020700000000, -0.0005365200000000 ] - [ 0.0006395800000000, 0.0000154100000000, -0.0005059800000000 ] - [ 0.0002896600000000, 0.0000809400000000, -0.0004858300000000 ] - [ 0.0006978300000000, -0.0000305300000000, -0.0005100500000000 ] - [ -0.0005193600000000, -0.0002140800000000, 0.0006484000000000 ] - [ -0.0002855100000000, 0.0000275800000000, 0.0003994100000000 ] - [ -0.0008377600000000, 0.0001091800000000, 0.0006177700000000 ] - [ -0.0002589600000000, -0.0000548100000000, 0.0004162200000000 ] - [ 0.0006924500000000, -0.0001273800000000, 0.0005271200000000 ] - [ 0.0003789600000000, 0.0000235400000000, 0.0006223400000000 ] - [ 0.0006577700000000, 0.0001288600000000, 0.0003831500000000 ] - [ 0.0002624800000000, 0.0000753700000000, 0.0016527000000000 ] - [ -0.0028804900000000, 0.0000800300000000, 0.0000322200000000 ] - [ 0.0000497300000000, -0.0000149900000000, -0.0002642700000000 ] - [ -0.0008565200000000, -0.0008879300000000, -0.0007367600000000 ] - [ -0.0001970600000000, 0.0001705300000000, -0.0005135500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0338681300000000, -0.0898236200000000, 0.0012699000000000 ] - [ -0.0000231800000000, 0.0070932400000000, -0.0011548900000000 ] - [ -0.0006984900000000, 0.0121979500000000, -0.0013042900000000 ] - [ 0.0001801700000000, 0.0080479000000000, -0.0010358500000000 ] - [ 0.0003402400000000, 0.0072015800000000, 0.0012942200000000 ] - [ 0.0000171500000000, 0.0072043900000000, 0.0012645900000000 ] - [ 0.0001972800000000, 0.0080394700000000, 0.0009993500000000 ] - [ 0.0002676900000000, 0.0080342100000000, 0.0010205000000000 ] - [ 0.0001237700000000, 0.0084037900000000, -0.0008887700000000 ] - [ -0.0002640600000000, 0.0077776500000000, -0.0010204300000000 ] - [ -0.0001284600000000, 0.0083999100000000, -0.0007099300000000 ] - [ -0.0002839100000000, 0.0077779200000000, -0.0010467100000000 ] - [ 0.0019764400000000, 0.0031312200000000, 0.0020535500000000 ] - [ 0.0000245200000000, -0.0075685200000000, -0.0011058400000000 ] - [ 0.0015421200000000, 0.0043501200000000, -0.0040376200000000 ] - [ 0.0002136600000000, -0.0075682700000000, -0.0010329800000000 ] - [ -0.0002159000000000, -0.0070706800000000, 0.0011226700000000 ] - [ -0.0002829900000000, -0.0075169000000000, 0.0010770300000000 ] - [ -0.0001765600000000, -0.0091154200000000, 0.0009538500000000 ] - [ -0.0002642200000000, -0.0080721300000000, 0.0010890200000000 ] - [ -0.0003033700000000, -0.0073445900000000, -0.0009995800000000 ] - [ -0.0002319800000000, -0.0075987000000000, -0.0010773000000000 ] - [ 0.0000921600000000, -0.0089894100000000, -0.0004208400000000 ] - [ -0.0002979600000000, -0.0079474900000000, -0.0009699400000000 ] - [ -0.0000258700000000, -0.0076132300000000, 0.0010518700000000 ] - [ 0.0003581400000000, -0.0076137900000000, 0.0009875900000000 ] - [ 0.0005216500000000, -0.0073121900000000, 0.0016137800000000 ] - [ -0.0008272400000000, -0.0073109200000000, 0.0015409700000000 ] - [ -0.0005316000000000, 0.0082077400000000, 0.0016600400000000 ] - [ -0.0002153700000000, 0.0077838600000000, 0.0010929800000000 ] - [ 0.0000633300000000, 0.0082064300000000, 0.0005472700000000 ] - [ -0.0003381500000000, 0.0077874000000000, 0.0010853900000000 ] - [ 0.0048451400000000, 0.0000855100000000, 0.0100115300000000 ] - [ 0.0053225400000000, 0.0009582700000000, 0.0102960300000000 ] - [ 0.0056795900000000, -0.0000997000000000, 0.0100721000000000 ] - [ 0.0001607400000000, 0.0014261200000000, 0.0082575800000000 ] - [ -0.0049441400000000, -0.0002582100000000, -0.0098293300000000 ] - [ -0.0056936900000000, -0.0003274900000000, -0.0091592700000000 ] - [ -0.0051478500000000, 0.0003455000000000, -0.0102819600000000 ] - [ -0.0048100500000000, 0.0001304300000000, -0.0101855600000000 ] - [ 0.0049214700000000, 0.0004678000000000, -0.0101150000000000 ] - [ 0.0050720000000000, 0.0000726600000000, -0.0100539600000000 ] - [ 0.0049990400000000, -0.0001597800000000, -0.0097764600000000 ] - [ 0.0048678000000000, -0.0000975200000000, -0.0100216200000000 ] - [ -0.0013622800000000, -0.0001902700000000, -0.0015833000000000 ] - [ -0.0015945700000000, -0.0000353800000000, -0.0013633200000000 ] - [ -0.0013804800000000, 0.0002308800000000, -0.0011756400000000 ] - [ -0.0014739900000000, 0.0000474600000000, -0.0013761200000000 ] - [ 0.0014994400000000, 0.0012275500000000, -0.0013162200000000 ] - [ 0.0013549500000000, 0.0000840900000000, -0.0013928800000000 ] - [ 0.0020479800000000, 0.0016968100000000, -0.0054359500000000 ] - [ 0.0014965000000000, -0.0000860500000000, -0.0017002900000000 ] - [ -0.0063241000000000, 0.0009746800000000, 0.0048764200000000 ] - [ -0.0002759100000000, -0.0000641700000000, 0.0016769200000000 ] - [ -0.0012353700000000, 0.0007052900000000, 0.0008607100000000 ] - [ -0.0017771700000000, 0.0001050100000000, 0.0013730200000000 ] - [ 0.0013810400000000, 0.0000762800000000, 0.0013991300000000 ] - [ 0.0015539300000000, 0.0001229900000000, 0.0014041600000000 ] - [ 0.0015594500000000, -0.0000689500000000, 0.0014510100000000 ] - [ 0.0010764700000000, -0.0001590900000000, 0.0016984700000000 ] - [ -0.0047221200000000, -0.0001252000000000, 0.0100173400000000 ] - [ -0.0050267200000000, -0.0000270900000000, 0.0101045600000000 ] - [ -0.0049449800000000, 0.0000959100000000, 0.0101701900000000 ] - [ -0.0050656100000000, 0.0000225400000000, 0.0101073900000000 ] - [ -0.0017190100000000, 0.0002565200000000, -0.0023480100000000 ] - [ -0.0021305100000000, 0.0003100500000000, -0.0025197600000000 ] - [ -0.0019368500000000, -0.0004248700000000, -0.0023454100000000 ] - [ -0.0018562800000000, -0.0004390800000000, -0.0025044300000000 ] - [ -0.0011551300000000, 0.0003737100000000, 0.0024442500000000 ] - [ -0.0002034600000000, 0.0000383800000000, 0.0027984400000000 ] - [ -0.0004372400000000, -0.0003339400000000, 0.0026137100000000 ] - [ -0.0001646900000000, -0.0000253300000000, 0.0027075300000000 ] - [ 0.0005249100000000, -0.0002598800000000, -0.0027297400000000 ] - [ 0.0002159900000000, -0.0002821500000000, -0.0028604100000000 ] - [ 0.0000936100000000, 0.0003585500000000, -0.0030471000000000 ] - [ 0.0005467500000000, 0.0004696300000000, -0.0029273700000000 ] - [ -0.0000073100000000, 0.0016159900000000, -0.0060231800000000 ] - [ -0.0004819800000000, 0.0002140500000000, -0.0031831700000000 ] - [ -0.0004404500000000, -0.0004406600000000, -0.0021173600000000 ] - [ 0.0000854700000000, -0.0002937900000000, -0.0026146000000000 ] - [ -0.0010367200000000, -0.0017347000000000, 0.0020614100000000 ] - [ 0.0004242100000000, -0.0002087200000000, 0.0027888500000000 ] - [ -0.0192296000000000, 0.0389185100000000, -0.0227115500000000 ] - [ -0.0001095500000000, 0.0002277900000000, 0.0025458100000000 ] - [ -0.0090411000000000, 0.0228374500000000, 0.0261014200000000 ] - [ -0.0021057300000000, 0.0001594900000000, 0.0026953600000000 ] - [ -0.0029155000000000, -0.0020253200000000, 0.0048342400000000 ] - [ -0.0017289100000000, -0.0001545500000000, 0.0023544000000000 ] - [ 0.0023350900000000, -0.0012223100000000, -0.0024840700000000 ] - [ 0.0019044600000000, -0.0001617100000000, -0.0024583600000000 ] - [ 0.0004898500000000, 0.0007262700000000, -0.0008658800000000 ] - [ 0.0019729700000000, 0.0001889900000000, -0.0021824400000000 ] - [ 0.0018320900000000, -0.0005013400000000, 0.0023376800000000 ] - [ 0.0019189100000000, -0.0000980300000000, 0.0024160100000000 ] - [ 0.0020482600000000, 0.0004356500000000, 0.0021594900000000 ] - [ 0.0018468900000000, 0.0000881000000000, 0.0023331800000000 ] - [ -0.0010267300000000, -0.0003341700000000, 0.0006723700000000 ] - [ -0.0007753800000000, -0.0001080800000000, 0.0004157100000000 ] - [ -0.0010584000000000, 0.0013201900000000, 0.0002264000000000 ] - [ -0.0008576300000000, 0.0001149900000000, 0.0003139800000000 ] - [ 0.0009787900000000, 0.0000794500000000, -0.0006328100000000 ] - [ 0.0007737100000000, 0.0001427200000000, -0.0004109200000000 ] - [ 0.0007117500000000, -0.0001059800000000, -0.0004035300000000 ] - [ 0.0009020700000000, -0.0001321500000000, -0.0003352100000000 ] - [ -0.0003812800000000, -0.0007414600000000, -0.0000788600000000 ] - [ -0.0008989800000000, -0.0001366600000000, -0.0003081800000000 ] - [ 0.0013608700000000, 0.0031662200000000, -0.0009638400000000 ] - [ -0.0003250000000000, 0.0001853000000000, -0.0004602800000000 ] - [ 0.0001743500000000, 0.0007128100000000, -0.0013424000000000 ] - [ 0.0010232600000000, 0.0000677300000000, 0.0001617100000000 ] - [ 0.0006948900000000, -0.0007054200000000, 0.0005542500000000 ] - [ 0.0008316700000000, -0.0000791200000000, 0.0003767000000000 ] - [ 0.0004847500000000, -0.0003499500000000, -0.0005846100000000 ] - [ 0.0004869300000000, -0.0000560600000000, -0.0004952200000000 ] - [ 0.0003350700000000, 0.0003812300000000, -0.0004303200000000 ] - [ 0.0005910600000000, 0.0000503400000000, -0.0005322900000000 ] - [ -0.0000904300000000, -0.0003561700000000, 0.0011670300000000 ] - [ -0.0004600700000000, 0.0001210100000000, 0.0005069200000000 ] - [ -0.0006491700000000, -0.0003815400000000, 0.0001940300000000 ] - [ -0.0003565300000000, -0.0001560400000000, 0.0004502900000000 ] - [ 0.0006429300000000, -0.0003276200000000, 0.0004915700000000 ] - [ 0.0002629900000000, -0.0001869000000000, 0.0002905600000000 ] - [ 0.0004932300000000, 0.0003268200000000, 0.0006099000000000 ] - [ 0.0008334600000000, 0.0003084900000000, 0.0013946700000000 ] - [ -0.0004965800000000, 0.0012420000000000, -0.0009973600000000 ] - [ 0.0001983300000000, 0.0002988500000000, -0.0001177000000000 ] - [ -0.0000010600000000, -0.0011459000000000, -0.0004191800000000 ] - [ -0.0006785200000000, -0.0001835500000000, -0.0005115800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0339613100000000, 0.1060986900000000, -0.0055739300000000 ] - [ 0.0004965200000000, 0.0084278700000000, -0.0009783100000000 ] - [ 0.0011744400000000, 0.0033242900000000, -0.0008258200000000 ] - [ 0.0002949300000000, 0.0074717100000000, -0.0011009600000000 ] - [ 0.0001345000000000, 0.0083185600000000, 0.0008393400000000 ] - [ 0.0004644200000000, 0.0083195200000000, 0.0008674300000000 ] - [ 0.0002769400000000, 0.0074843800000000, 0.0011313900000000 ] - [ 0.0002074400000000, 0.0074841400000000, 0.0011170500000000 ] - [ -0.0006031700000000, 0.0071126000000000, -0.0012485800000000 ] - [ -0.0002131600000000, 0.0077391000000000, -0.0011184600000000 ] - [ -0.0003494200000000, 0.0071125200000000, -0.0014285400000000 ] - [ -0.0001901400000000, 0.0077427400000000, -0.0010861300000000 ] - [ -0.0015221100000000, -0.0184365800000000, -0.0041485600000000 ] - [ 0.0004492100000000, -0.0079527600000000, -0.0010280400000000 ] - [ -0.0010854900000000, -0.0201545000000000, 0.0019281100000000 ] - [ 0.0002618700000000, -0.0079505000000000, -0.0011017900000000 ] - [ -0.0002596100000000, -0.0084481400000000, 0.0010149800000000 ] - [ -0.0001954000000000, -0.0079991000000000, 0.0010634400000000 ] - [ -0.0003014400000000, -0.0063986700000000, 0.0011882300000000 ] - [ -0.0002117900000000, -0.0074496100000000, 0.0010445800000000 ] - [ -0.0001725300000000, -0.0081764500000000, -0.0011360100000000 ] - [ -0.0002447700000000, -0.0079182700000000, -0.0010605200000000 ] - [ -0.0005732300000000, -0.0065205800000000, -0.0017191100000000 ] - [ -0.0001763700000000, -0.0075730800000000, -0.0011622800000000 ] - [ 0.0005010300000000, -0.0079068800000000, 0.0010840200000000 ] - [ 0.0001176300000000, -0.0079066400000000, 0.0011469400000000 ] - [ -0.0000458000000000, -0.0082092500000000, 0.0005194900000000 ] - [ 0.0013117200000000, -0.0082120800000000, 0.0005941600000000 ] - [ 0.0000496000000000, 0.0073108800000000, 0.0004754200000000 ] - [ -0.0002639200000000, 0.0077312900000000, 0.0010470800000000 ] - [ -0.0005408000000000, 0.0073093500000000, 0.0015948800000000 ] - [ -0.0001373200000000, 0.0077351500000000, 0.0010468400000000 ] - [ 0.0051931600000000, -0.0000860600000000, 0.0101250000000000 ] - [ 0.0047194300000000, -0.0009577800000000, 0.0098446400000000 ] - [ 0.0043603200000000, 0.0000998500000000, 0.0100631500000000 ] - [ 0.0099022800000000, -0.0014075200000000, 0.0118972100000000 ] - [ -0.0050982900000000, 0.0002576300000000, -0.0103111100000000 ] - [ -0.0043438600000000, 0.0003281700000000, -0.0109710500000000 ] - [ -0.0048895200000000, -0.0003418700000000, -0.0098559100000000 ] - [ -0.0052292300000000, -0.0001309500000000, -0.0099499000000000 ] - [ 0.0051147500000000, -0.0004668600000000, -0.0100239800000000 ] - [ 0.0049655200000000, -0.0000731200000000, -0.0100834500000000 ] - [ 0.0050440300000000, 0.0001598000000000, -0.0103573100000000 ] - [ 0.0051707300000000, 0.0000981100000000, -0.0101176200000000 ] - [ -0.0016031100000000, 0.0001907200000000, -0.0012293000000000 ] - [ -0.0013666000000000, 0.0000341300000000, -0.0014566500000000 ] - [ -0.0015848000000000, -0.0002326500000000, -0.0016445700000000 ] - [ -0.0014803400000000, -0.0000462300000000, -0.0014429100000000 ] - [ 0.0014653200000000, -0.0012258800000000, -0.0015012600000000 ] - [ 0.0016119100000000, -0.0000838200000000, -0.0014241600000000 ] - [ 0.0009245400000000, -0.0016929700000000, 0.0026536600000000 ] - [ 0.0014625000000000, 0.0000862300000000, -0.0011174900000000 ] - [ 0.0033295700000000, -0.0009677000000000, -0.0020278100000000 ] - [ -0.0026812400000000, 0.0000633800000000, 0.0011430300000000 ] - [ -0.0017307700000000, -0.0007070300000000, 0.0019609700000000 ] - [ -0.0011857100000000, -0.0001033700000000, 0.0014451400000000 ] - [ 0.0015851600000000, -0.0000756800000000, 0.0014191100000000 ] - [ 0.0014089700000000, -0.0001228800000000, 0.0014136500000000 ] - [ 0.0014026600000000, 0.0000681600000000, 0.0013697400000000 ] - [ 0.0018905500000000, 0.0001588000000000, 0.0011188200000000 ] - [ -0.0053107600000000, 0.0001263100000000, 0.0101100600000000 ] - [ -0.0050096600000000, 0.0000270200000000, 0.0100339500000000 ] - [ -0.0050941100000000, -0.0000957200000000, 0.0099680800000000 ] - [ -0.0049719000000000, -0.0000226100000000, 0.0100310900000000 ] - [ -0.0020177100000000, -0.0002557800000000, -0.0023913000000000 ] - [ -0.0015973500000000, -0.0003132000000000, -0.0022251100000000 ] - [ -0.0018027000000000, 0.0004219300000000, -0.0023937500000000 ] - [ -0.0018762300000000, 0.0004403400000000, -0.0022460300000000 ] - [ 0.0006830200000000, -0.0003765600000000, 0.0031123500000000 ] - [ -0.0002759300000000, -0.0000369800000000, 0.0027632400000000 ] - [ -0.0000376000000000, 0.0003376100000000, 0.0029490400000000 ] - [ -0.0003035100000000, 0.0000268800000000, 0.0028567300000000 ] - [ -0.0000440200000000, 0.0002572700000000, -0.0028300400000000 ] - [ 0.0002645800000000, 0.0002791700000000, -0.0026964200000000 ] - [ 0.0003659500000000, -0.0003570900000000, -0.0025175900000000 ] - [ -0.0000737700000000, -0.0004721400000000, -0.0026300600000000 ] - [ -0.0004725200000000, -0.0016211600000000, 0.0004648400000000 ] - [ 0.0000168900000000, -0.0002143100000000, -0.0023800300000000 ] - [ -0.0000291200000000, 0.0004394900000000, -0.0034500800000000 ] - [ -0.0005528200000000, 0.0002919700000000, -0.0029472300000000 ] - [ 0.0015160700000000, 0.0017702300000000, 0.0034894400000000 ] - [ 0.0000540800000000, 0.0002092200000000, 0.0027708500000000 ] - [ 0.0206903800000000, -0.0403102100000000, 0.0295038600000000 ] - [ 0.0005781800000000, -0.0002259300000000, 0.0030117600000000 ] - [ 0.0049403200000000, -0.0221384000000000, -0.0205102200000000 ] - [ -0.0016222900000000, -0.0001608100000000, 0.0020573100000000 ] - [ -0.0008118200000000, 0.0020277600000000, -0.0001041700000000 ] - [ -0.0020021100000000, 0.0001546200000000, 0.0024010900000000 ] - [ 0.0014026500000000, 0.0012234400000000, -0.0022625400000000 ] - [ 0.0018263300000000, 0.0001627000000000, -0.0022967100000000 ] - [ 0.0032418200000000, -0.0007334900000000, -0.0039002200000000 ] - [ 0.0017533100000000, -0.0001894900000000, -0.0025830200000000 ] - [ 0.0019014400000000, 0.0005038300000000, 0.0024020900000000 ] - [ 0.0018153000000000, 0.0000980300000000, 0.0023394300000000 ] - [ 0.0016849600000000, -0.0004312700000000, 0.0025923800000000 ] - [ 0.0018869900000000, -0.0000865400000000, 0.0024111500000000 ] - [ -0.0005984500000000, 0.0003344100000000, 0.0000423400000000 ] - [ -0.0008513100000000, 0.0001073200000000, 0.0002999800000000 ] - [ -0.0005441100000000, -0.0013457500000000, 0.0004572400000000 ] - [ -0.0007689400000000, -0.0001148400000000, 0.0004005500000000 ] - [ 0.0006475900000000, -0.0000788600000000, -0.0000821400000000 ] - [ 0.0008527600000000, -0.0001428700000000, -0.0003026100000000 ] - [ 0.0009152100000000, 0.0001068300000000, -0.0003110200000000 ] - [ 0.0007235100000000, 0.0001326700000000, -0.0003789900000000 ] - [ -0.0012427500000000, 0.0007443300000000, -0.0006343500000000 ] - [ -0.0007275400000000, 0.0001366300000000, -0.0004075100000000 ] - [ -0.0030770400000000, -0.0032209300000000, 0.0002404100000000 ] - [ -0.0013017700000000, -0.0001857300000000, -0.0002541000000000 ] - [ 0.0014491200000000, -0.0007179300000000, 0.0020543800000000 ] - [ 0.0006025200000000, -0.0000670700000000, 0.0005520000000000 ] - [ 0.0009310300000000, 0.0007061100000000, 0.0001601200000000 ] - [ 0.0007941300000000, 0.0000784300000000, 0.0003384400000000 ] - [ 0.0005040100000000, 0.0003515100000000, -0.0003950100000000 ] - [ 0.0005021900000000, 0.0000559400000000, -0.0004856200000000 ] - [ 0.0006560500000000, -0.0003817300000000, -0.0005545000000000 ] - [ 0.0003967400000000, -0.0000501100000000, -0.0004471700000000 ] - [ -0.0009056500000000, 0.0003654800000000, -0.0001885100000000 ] - [ -0.0005299500000000, -0.0001210800000000, 0.0004743600000000 ] - [ -0.0003381600000000, 0.0003798400000000, 0.0007895600000000 ] - [ -0.0006343100000000, 0.0001562100000000, 0.0005315600000000 ] - [ 0.0003461100000000, 0.0003275600000000, 0.0004901000000000 ] - [ 0.0007273800000000, 0.0001874100000000, 0.0006906600000000 ] - [ 0.0004951300000000, -0.0003276900000000, 0.0003725200000000 ] - [ 0.0001560200000000, -0.0003091500000000, -0.0004109900000000 ] - [ -0.0004553100000000, -0.0012259900000000, 0.0000226300000000 ] - [ -0.0011875000000000, -0.0002963500000000, -0.0008618300000000 ] - [ -0.0009936500000000, 0.0011438600000000, -0.0005631300000000 ] - [ -0.0003098400000000, 0.0001831400000000, -0.0004695900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0070204400000000, 0.0110960400000000, -0.0810896500000000 ] - [ 0.0001875900000000, 0.0076712100000000, -0.0010235100000000 ] - [ 0.0001567400000000, 0.0075269500000000, -0.0018066800000000 ] - [ 0.0002133600000000, 0.0077927600000000, -0.0011093300000000 ] - [ 0.0002994600000000, 0.0075594100000000, 0.0011563200000000 ] - [ 0.0000173900000000, 0.0075319100000000, 0.0011560000000000 ] - [ 0.0002749000000000, 0.0078065700000000, 0.0011142500000000 ] - [ 0.0002345100000000, 0.0078249800000000, 0.0011107600000000 ] - [ 0.0000492600000000, 0.0081213200000000, -0.0004969100000000 ] - [ -0.0002906300000000, 0.0077798800000000, -0.0010139300000000 ] - [ -0.0001530800000000, 0.0079346400000000, -0.0004986200000000 ] - [ -0.0002628600000000, 0.0078078700000000, -0.0010138800000000 ] - [ -0.0008877100000000, -0.0108843800000000, -0.0046690300000000 ] - [ 0.0001299100000000, -0.0077212000000000, -0.0010891700000000 ] - [ 0.0014708200000000, -0.0047341900000000, -0.0052313700000000 ] - [ 0.0002972200000000, -0.0077931700000000, -0.0010624900000000 ] - [ -0.0003708200000000, -0.0077052700000000, 0.0007967400000000 ] - [ -0.0001760100000000, -0.0077482400000000, 0.0010736200000000 ] - [ -0.0005770700000000, -0.0078766500000000, 0.0010054000000000 ] - [ -0.0000633700000000, -0.0077376000000000, 0.0010378800000000 ] - [ -0.0001742800000000, -0.0078278100000000, -0.0009096400000000 ] - [ -0.0002981500000000, -0.0077507400000000, -0.0010117700000000 ] - [ 0.0000085900000000, -0.0084062900000000, -0.0003225000000000 ] - [ -0.0002745300000000, -0.0078565500000000, -0.0009748700000000 ] - [ 0.0004080100000000, -0.0078379700000000, 0.0010883500000000 ] - [ 0.0001976600000000, -0.0077748800000000, 0.0010898600000000 ] - [ 0.0006092300000000, -0.0072829700000000, 0.0015666800000000 ] - [ -0.0007984200000000, -0.0072172800000000, 0.0015576000000000 ] - [ -0.0008913900000000, 0.0082843700000000, 0.0011641800000000 ] - [ -0.0001570800000000, 0.0077368700000000, 0.0010576800000000 ] - [ -0.0006804400000000, 0.0071639900000000, 0.0011642000000000 ] - [ -0.0001120300000000, 0.0077356700000000, 0.0010542300000000 ] - [ 0.0049484700000000, 0.0000196200000000, 0.0099782200000000 ] - [ 0.0049565200000000, -0.0002401100000000, 0.0097310300000000 ] - [ 0.0052623000000000, 0.0000243700000000, 0.0100686200000000 ] - [ 0.0056555600000000, -0.0009019900000000, 0.0083635800000000 ] - [ -0.0048401600000000, 0.0000929200000000, -0.0107334000000000 ] - [ -0.0053550300000000, -0.0000010400000000, -0.0102677700000000 ] - [ -0.0048772700000000, -0.0000594100000000, -0.0101574300000000 ] - [ -0.0051654700000000, -0.0000533500000000, -0.0102824900000000 ] - [ 0.0050244900000000, -0.0001197900000000, -0.0099545800000000 ] - [ 0.0050311000000000, 0.0000009300000000, -0.0100168800000000 ] - [ 0.0053381600000000, 0.0000989200000000, -0.0093572800000000 ] - [ 0.0049286800000000, -0.0000570600000000, -0.0100467200000000 ] - [ -0.0014047100000000, -0.0000469800000000, -0.0009298200000000 ] - [ -0.0015843600000000, -0.0000183400000000, -0.0013252600000000 ] - [ -0.0013869500000000, 0.0001530900000000, -0.0011104900000000 ] - [ -0.0014770900000000, 0.0000070700000000, -0.0013063200000000 ] - [ 0.0017434800000000, 0.0010036500000000, -0.0018545100000000 ] - [ 0.0013512300000000, 0.0000047000000000, -0.0014545300000000 ] - [ 0.0012055900000000, -0.0055110700000000, 0.0058579100000000 ] - [ 0.0015425700000000, 0.0000158200000000, -0.0014785800000000 ] - [ -0.0031465600000000, -0.0000188900000000, -0.0008262100000000 ] - [ -0.0017278300000000, -0.0000066800000000, 0.0013569100000000 ] - [ -0.0014877400000000, 0.0000915300000000, 0.0006649500000000 ] - [ -0.0015061900000000, 0.0000038600000000, 0.0013607400000000 ] - [ 0.0014790500000000, 0.0000209800000000, 0.0014930200000000 ] - [ 0.0015251000000000, -0.0000131700000000, 0.0015253300000000 ] - [ 0.0016063400000000, -0.0000396600000000, 0.0015474300000000 ] - [ 0.0011926100000000, -0.0000600900000000, 0.0017261600000000 ] - [ -0.0053319900000000, 0.0000066900000000, 0.0116160200000000 ] - [ -0.0050539600000000, -0.0000127400000000, 0.0101047400000000 ] - [ -0.0050632300000000, 0.0000118000000000, 0.0103450900000000 ] - [ -0.0050183600000000, 0.0000003000000000, 0.0101283600000000 ] - [ -0.0019168100000000, 0.0000985700000000, -0.0024842000000000 ] - [ -0.0018449300000000, 0.0000887700000000, -0.0024592900000000 ] - [ -0.0019331600000000, -0.0002629100000000, -0.0024157100000000 ] - [ -0.0019583800000000, -0.0003243800000000, -0.0025994700000000 ] - [ -0.0006897900000000, 0.0000171500000000, 0.0019346800000000 ] - [ -0.0001669900000000, 0.0000165200000000, 0.0027628700000000 ] - [ -0.0002556400000000, -0.0000034200000000, 0.0024745400000000 ] - [ -0.0002180000000000, -0.0000089300000000, 0.0026425800000000 ] - [ 0.0002415900000000, -0.0000418600000000, -0.0029050500000000 ] - [ 0.0002937800000000, 0.0000549000000000, -0.0029510100000000 ] - [ -0.0001217900000000, 0.0002483300000000, -0.0030477400000000 ] - [ 0.0005532700000000, 0.0001934200000000, -0.0030138600000000 ] - [ 0.0011336700000000, 0.0000554600000000, -0.0024804000000000 ] - [ -0.0003466600000000, -0.0000165600000000, -0.0026442800000000 ] - [ -0.0000763800000000, 0.0004627000000000, -0.0018209600000000 ] - [ -0.0003431400000000, 0.0000101300000000, -0.0027606900000000 ] - [ 0.0008436400000000, -0.0000951800000000, 0.0051082800000000 ] - [ 0.0003427800000000, -0.0000250900000000, 0.0028301300000000 ] - [ 0.0163745100000000, -0.0281215300000000, 0.0379725400000000 ] - [ 0.0000896600000000, 0.0000289200000000, 0.0025931100000000 ] - [ -0.0106195700000000, 0.0296021000000000, 0.0472018600000000 ] - [ -0.0017300900000000, 0.0000150100000000, 0.0022780400000000 ] - [ -0.0024651700000000, -0.0003104600000000, 0.0045665200000000 ] - [ -0.0018617400000000, -0.0000154700000000, 0.0023917700000000 ] - [ 0.0021527800000000, -0.0009335800000000, -0.0018717800000000 ] - [ 0.0018996300000000, -0.0000047600000000, -0.0023583200000000 ] - [ 0.0038314400000000, 0.0002162500000000, -0.0019672400000000 ] - [ 0.0017704500000000, -0.0000056800000000, -0.0023488800000000 ] - [ 0.0018389100000000, -0.0001143100000000, 0.0022580600000000 ] - [ 0.0018321800000000, -0.0000355000000000, 0.0023503400000000 ] - [ 0.0019154700000000, 0.0002345800000000, 0.0019910300000000 ] - [ 0.0017882200000000, 0.0000317300000000, 0.0023503100000000 ] - [ -0.0008012000000000, 0.0000362300000000, 0.0002524000000000 ] - [ -0.0008479100000000, -0.0000297300000000, 0.0004166300000000 ] - [ -0.0005721400000000, 0.0006181400000000, 0.0000175400000000 ] - [ -0.0009386300000000, 0.0000555700000000, 0.0003697900000000 ] - [ 0.0010385800000000, 0.0000104700000000, -0.0006477800000000 ] - [ 0.0007344000000000, 0.0000332600000000, -0.0004025700000000 ] - [ 0.0009666000000000, 0.0000670100000000, -0.0005878900000000 ] - [ 0.0007937700000000, -0.0000241300000000, -0.0004315000000000 ] - [ -0.0010483900000000, -0.0002344700000000, -0.0002067400000000 ] - [ -0.0007330500000000, 0.0000206100000000, -0.0003125600000000 ] - [ -0.0022412400000000, -0.0006168300000000, 0.0001858800000000 ] - [ -0.0007747700000000, -0.0000356900000000, -0.0003066400000000 ] - [ 0.0002872700000000, 0.0002452100000000, -0.0024044900000000 ] - [ 0.0008383900000000, 0.0000154000000000, 0.0003361600000000 ] - [ 0.0008622800000000, 0.0006777500000000, 0.0002139600000000 ] - [ 0.0008076700000000, -0.0000198900000000, 0.0003229400000000 ] - [ 0.0005299100000000, -0.0001745700000000, -0.0007225100000000 ] - [ 0.0005046000000000, -0.0000115300000000, -0.0005279100000000 ] - [ 0.0005865600000000, 0.0000799600000000, -0.0010626600000000 ] - [ 0.0005515900000000, -0.0000021700000000, -0.0005620000000000 ] - [ -0.0006652400000000, 0.0003611200000000, 0.0000221100000000 ] - [ -0.0003900300000000, 0.0000610500000000, 0.0004987900000000 ] - [ -0.0004374400000000, -0.0001299200000000, 0.0003415100000000 ] - [ -0.0003883400000000, -0.0000871700000000, 0.0004668500000000 ] - [ 0.0006956000000000, -0.0001069500000000, 0.0005551500000000 ] - [ 0.0003107400000000, -0.0000364500000000, 0.0005479600000000 ] - [ 0.0008211700000000, 0.0000569500000000, 0.0005899600000000 ] - [ -0.0002937800000000, -0.0000072400000000, 0.0004044600000000 ] - [ 0.0007324600000000, 0.0003653600000000, 0.0004787200000000 ] - [ -0.0002069200000000, 0.0000775700000000, -0.0003843400000000 ] - [ -0.0002118000000000, 0.0001629900000000, -0.0002942600000000 ] - [ -0.0005951500000000, -0.0000979700000000, -0.0003810700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0073358000000000, 0.0042683100000000, 0.0776863100000000 ] - [ 0.0002800400000000, 0.0078621700000000, -0.0011076500000000 ] - [ 0.0003085900000000, 0.0080192800000000, -0.0003498200000000 ] - [ 0.0002545000000000, 0.0077407100000000, -0.0010247500000000 ] - [ 0.0001684400000000, 0.0079689000000000, 0.0009829600000000 ] - [ 0.0004553100000000, 0.0079996100000000, 0.0009807600000000 ] - [ 0.0001938800000000, 0.0077218100000000, 0.0010254200000000 ] - [ 0.0002352700000000, 0.0077011500000000, 0.0010278600000000 ] - [ -0.0005161000000000, 0.0074144100000000, -0.0016421600000000 ] - [ -0.0001787300000000, 0.0077497900000000, -0.0011221800000000 ] - [ -0.0003182200000000, 0.0075879100000000, -0.0016452300000000 ] - [ -0.0002062900000000, 0.0077212600000000, -0.0011231500000000 ] - [ 0.0013708200000000, -0.0046933600000000, 0.0025317000000000 ] - [ 0.0003380300000000, -0.0078135400000000, -0.0010427200000000 ] - [ -0.0010057300000000, -0.0107136700000000, 0.0030942300000000 ] - [ 0.0001707300000000, -0.0077375700000000, -0.0010699800000000 ] - [ -0.0001011200000000, -0.0078226500000000, 0.0013403100000000 ] - [ -0.0002952400000000, -0.0077754600000000, 0.0010685700000000 ] - [ 0.0001090900000000, -0.0076525800000000, 0.0011280900000000 ] - [ -0.0004048700000000, -0.0077919900000000, 0.0010998200000000 ] - [ -0.0002928200000000, -0.0077049200000000, -0.0012260200000000 ] - [ -0.0001713800000000, -0.0077797200000000, -0.0011240400000000 ] - [ -0.0004798800000000, -0.0071180900000000, -0.0018205700000000 ] - [ -0.0001956700000000, -0.0076717700000000, -0.0011605300000000 ] - [ 0.0000563900000000, -0.0076917900000000, 0.0010502900000000 ] - [ 0.0002708000000000, -0.0077549700000000, 0.0010496400000000 ] - [ -0.0001392400000000, -0.0082412400000000, 0.0005786000000000 ] - [ 0.0012864100000000, -0.0083198500000000, 0.0005754400000000 ] - [ 0.0004149800000000, 0.0072464400000000, 0.0009753800000000 ] - [ -0.0003139500000000, 0.0077868100000000, 0.0010835100000000 ] - [ 0.0002071600000000, 0.0083593700000000, 0.0009743300000000 ] - [ -0.0003569900000000, 0.0077938000000000, 0.0010824300000000 ] - [ 0.0050872000000000, -0.0000200100000000, 0.0101577800000000 ] - [ 0.0050827400000000, 0.0002366400000000, 0.0104022700000000 ] - [ 0.0047764600000000, -0.0000240400000000, 0.0100663100000000 ] - [ 0.0043409300000000, 0.0009158400000000, 0.0117442800000000 ] - [ -0.0051929900000000, -0.0000937600000000, -0.0094041100000000 ] - [ -0.0046812000000000, 0.0000005600000000, -0.0098726300000000 ] - [ -0.0051570200000000, 0.0000628500000000, -0.0099822300000000 ] - [ -0.0048679400000000, 0.0000532300000000, -0.0098561700000000 ] - [ 0.0050100700000000, 0.0001232000000000, -0.0101821300000000 ] - [ 0.0050031300000000, -0.0000009700000000, -0.0101209700000000 ] - [ 0.0046846500000000, -0.0001058300000000, -0.0107905200000000 ] - [ 0.0051070000000000, 0.0000580200000000, -0.0100905700000000 ] - [ -0.0015475700000000, 0.0000492300000000, -0.0018896500000000 ] - [ -0.0013689800000000, 0.0000182900000000, -0.0014829200000000 ] - [ -0.0015718300000000, -0.0001561200000000, -0.0016974500000000 ] - [ -0.0014787800000000, -0.0000068500000000, -0.0014998700000000 ] - [ 0.0012150200000000, -0.0009967700000000, -0.0009492600000000 ] - [ 0.0016108100000000, -0.0000048400000000, -0.0013510300000000 ] - [ 0.0017601500000000, 0.0054145000000000, -0.0085256200000000 ] - [ 0.0014105000000000, -0.0000158300000000, -0.0013315400000000 ] - [ 0.0002062600000000, 0.0000114900000000, 0.0036029100000000 ] - [ -0.0012301700000000, 0.0000062800000000, 0.0014490700000000 ] - [ -0.0014656100000000, -0.0000874300000000, 0.0021358200000000 ] - [ -0.0014485400000000, -0.0000029800000000, 0.0014469900000000 ] - [ 0.0014745300000000, -0.0000212600000000, 0.0013155100000000 ] - [ 0.0014289700000000, 0.0000133700000000, 0.0012850000000000 ] - [ 0.0013443000000000, 0.0000397100000000, 0.0012608400000000 ] - [ 0.0017722600000000, 0.0000595000000000, 0.0010809700000000 ] - [ -0.0047003800000000, -0.0000067900000000, 0.0085125900000000 ] - [ -0.0049787600000000, 0.0000129900000000, 0.0100333600000000 ] - [ -0.0049727400000000, -0.0000127700000000, 0.0097942000000000 ] - [ -0.0050154400000000, -0.0000002500000000, 0.0100098000000000 ] - [ -0.0018142300000000, -0.0000985800000000, -0.0022619900000000 ] - [ -0.0018985700000000, -0.0000905800000000, -0.0022783100000000 ] - [ -0.0017950400000000, 0.0002596200000000, -0.0023494800000000 ] - [ -0.0017766900000000, 0.0003269500000000, -0.0021460300000000 ] - [ 0.0002230100000000, -0.0000157600000000, 0.0036308300000000 ] - [ -0.0003072400000000, -0.0000154900000000, 0.0027985900000000 ] - [ -0.0002151400000000, 0.0000071200000000, 0.0030884400000000 ] - [ -0.0002669100000000, 0.0000103900000000, 0.0029151500000000 ] - [ 0.0002357400000000, 0.0000392000000000, -0.0026579200000000 ] - [ 0.0001871900000000, -0.0000550700000000, -0.0026065500000000 ] - [ 0.0005968900000000, -0.0002498400000000, -0.0025243900000000 ] - [ -0.0000940700000000, -0.0001986600000000, -0.0025501400000000 ] - [ -0.0015849300000000, -0.0000568900000000, -0.0030696900000000 ] - [ -0.0001198900000000, 0.0000174700000000, -0.0029143700000000 ] - [ -0.0003848300000000, -0.0004609900000000, -0.0037343200000000 ] - [ -0.0001303200000000, -0.0000143000000000, -0.0027980500000000 ] - [ -0.0003826100000000, 0.0000873000000000, 0.0004744800000000 ] - [ 0.0001311100000000, 0.0000265100000000, 0.0027323900000000 ] - [ -0.0153873500000000, 0.0272894500000000, -0.0320742300000000 ] - [ 0.0003806800000000, -0.0000279800000000, 0.0029687800000000 ] - [ 0.0064899300000000, -0.0285432700000000, -0.0416285700000000 ] - [ -0.0020036900000000, -0.0000135400000000, 0.0024564800000000 ] - [ -0.0012899600000000, 0.0003014800000000, 0.0001933600000000 ] - [ -0.0018750200000000, 0.0000173400000000, 0.0023489300000000 ] - [ 0.0015956300000000, 0.0009244500000000, -0.0028532700000000 ] - [ 0.0018312400000000, 0.0000028200000000, -0.0024045100000000 ] - [ -0.0000868800000000, -0.0002295400000000, -0.0027466100000000 ] - [ 0.0019679200000000, 0.0000060500000000, -0.0023897400000000 ] - [ 0.0018973800000000, 0.0001148300000000, 0.0024756600000000 ] - [ 0.0018972600000000, 0.0000356400000000, 0.0024119200000000 ] - [ 0.0018210100000000, -0.0002312600000000, 0.0027542700000000 ] - [ 0.0019478100000000, -0.0000313700000000, 0.0024040500000000 ] - [ -0.0008205600000000, -0.0000377100000000, 0.0004583000000000 ] - [ -0.0007735600000000, 0.0000292500000000, 0.0002972800000000 ] - [ -0.0010513900000000, -0.0006249900000000, 0.0006924400000000 ] - [ -0.0006829600000000, -0.0000557200000000, 0.0003444800000000 ] - [ 0.0005840200000000, -0.0000098800000000, -0.0000646500000000 ] - [ 0.0008853000000000, -0.0000329600000000, -0.0003089400000000 ] - [ 0.0006556100000000, -0.0000662100000000, -0.0001264500000000 ] - [ 0.0008261600000000, 0.0000241500000000, -0.0002801900000000 ] - [ -0.0005763400000000, 0.0002348400000000, -0.0005085900000000 ] - [ -0.0008873500000000, -0.0000199000000000, -0.0004033400000000 ] - [ 0.0006416600000000, 0.0006407600000000, -0.0009245400000000 ] - [ -0.0008427700000000, 0.0000349700000000, -0.0004113800000000 ] - [ 0.0013283400000000, -0.0002400100000000, 0.0031016300000000 ] - [ 0.0007837300000000, -0.0000150400000000, 0.0003811900000000 ] - [ 0.0007600300000000, -0.0006716800000000, 0.0005024700000000 ] - [ 0.0008145000000000, 0.0000189800000000, 0.0003930600000000 ] - [ 0.0004614000000000, 0.0001734200000000, -0.0002606000000000 ] - [ 0.0004858800000000, 0.0000116100000000, -0.0004547800000000 ] - [ 0.0004052000000000, -0.0000789200000000, 0.0000784500000000 ] - [ 0.0004379000000000, 0.0000025900000000, -0.0004198600000000 ] - [ -0.0003219200000000, -0.0003657500000000, 0.0009696500000000 ] - [ -0.0006017700000000, -0.0000618700000000, 0.0004846900000000 ] - [ -0.0005532100000000, 0.0001293800000000, 0.0006367500000000 ] - [ -0.0006042800000000, 0.0000886500000000, 0.0005170700000000 ] - [ 0.0002963400000000, 0.0001065700000000, 0.0004308200000000 ] - [ 0.0006785500000000, 0.0000356900000000, 0.0004393800000000 ] - [ 0.0001708400000000, -0.0000578400000000, 0.0003965600000000 ] - [ 0.0012778900000000, 0.0000085900000000, 0.0005922600000000 ] - [ -0.0017320000000000, -0.0003636200000000, -0.0014698900000000 ] - [ -0.0007831200000000, -0.0000775600000000, -0.0006010200000000 ] - [ -0.0007728600000000, -0.0001690700000000, -0.0006916700000000 ] - [ -0.0003957800000000, 0.0000980200000000, -0.0006036400000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006639200000000, 0.0075879900000000, -0.0011372900000000 ] - [ -0.0007882600000000, 0.0080621700000000, -0.0011304200000000 ] - [ 0.0012971100000000, 0.0084249000000000, -0.0008233600000000 ] - [ 0.0066990700000000, 0.0029458900000000, -0.0004360100000000 ] - [ 0.0001297700000000, 0.0076664100000000, 0.0010617100000000 ] - [ 0.0004449000000000, 0.0078154900000000, 0.0010534900000000 ] - [ -0.0001374200000000, 0.0077404100000000, 0.0007416200000000 ] - [ 0.0005033300000000, 0.0076106700000000, 0.0011573600000000 ] - [ -0.0000170100000000, 0.0077706200000000, -0.0010297500000000 ] - [ -0.0007465800000000, 0.0074678600000000, -0.0007525600000000 ] - [ 0.0000184900000000, 0.0078090300000000, -0.0010654700000000 ] - [ -0.0005472400000000, 0.0076878300000000, -0.0010231900000000 ] - [ 0.0012971100000000, -0.0084249000000000, -0.0008233600000000 ] - [ 0.0066990700000000, -0.0029458900000000, -0.0004360100000000 ] - [ 0.0006639200000000, -0.0075879900000000, -0.0011372900000000 ] - [ -0.0007882600000000, -0.0080621700000000, -0.0011304200000000 ] - [ -0.0002837200000000, -0.0076832800000000, 0.0012485200000000 ] - [ 0.0007795800000000, -0.0084290600000000, 0.0007330400000000 ] - [ -0.0001735800000000, -0.0078912600000000, 0.0012081000000000 ] - [ -0.0001558900000000, -0.0075535300000000, 0.0009199900000000 ] - [ -0.0000170100000000, -0.0077706200000000, -0.0010297500000000 ] - [ -0.0007465800000000, -0.0074678600000000, -0.0007525600000000 ] - [ 0.0000184900000000, -0.0078090300000000, -0.0010654700000000 ] - [ -0.0005472400000000, -0.0076878300000000, -0.0010231900000000 ] - [ -0.0001374200000000, -0.0077404100000000, 0.0007416200000000 ] - [ 0.0005033300000000, -0.0076106700000000, 0.0011573600000000 ] - [ 0.0001297700000000, -0.0076664100000000, 0.0010617100000000 ] - [ 0.0004449000000000, -0.0078154900000000, 0.0010534900000000 ] - [ -0.0002837200000000, 0.0076832800000000, 0.0012485200000000 ] - [ 0.0007795800000000, 0.0084290600000000, 0.0007330400000000 ] - [ -0.0001735800000000, 0.0078912600000000, 0.0012081000000000 ] - [ -0.0001558900000000, 0.0075535300000000, 0.0009199900000000 ] - [ -0.1283019200000000, 0.0000000000000000, 0.0205933800000000 ] - [ 0.0057013200000000, 0.0000000000000000, 0.0100667600000000 ] - [ 0.0044482800000000, 0.0000000000000000, 0.0101710700000000 ] - [ 0.0054947900000000, 0.0000000000000000, 0.0101333300000000 ] - [ -0.0044005800000000, 0.0000984100000000, -0.0101723800000000 ] - [ -0.0054918800000000, -0.0009879300000000, -0.0095158500000000 ] - [ -0.0044005800000000, -0.0000984100000000, -0.0101723800000000 ] - [ -0.0054918800000000, 0.0009879300000000, -0.0095158500000000 ] - [ 0.0054621000000000, 0.0000000000000000, -0.0106698600000000 ] - [ 0.0054632600000000, 0.0000000000000000, -0.0099756600000000 ] - [ 0.0050837400000000, 0.0000000000000000, -0.0101204500000000 ] - [ 0.0050855300000000, 0.0000000000000000, -0.0099659400000000 ] - [ -0.0011730000000000, -0.0000029700000000, -0.0014041300000000 ] - [ -0.0018895100000000, -0.0000689800000000, -0.0012650700000000 ] - [ -0.0011730000000000, 0.0000029700000000, -0.0014041300000000 ] - [ -0.0018895100000000, 0.0000689800000000, -0.0012650700000000 ] - [ 0.0033908000000000, 0.0000000000000000, -0.0008172200000000 ] - [ 0.0076614600000000, 0.0000000000000000, -0.0020846100000000 ] - [ 0.0018113500000000, 0.0000000000000000, -0.0013721000000000 ] - [ 0.0010862200000000, 0.0000000000000000, -0.0015145500000000 ] - [ -0.0008911500000000, -0.0004840800000000, 0.0016982500000000 ] - [ -0.0001756400000000, 0.0005258000000000, 0.0007455200000000 ] - [ -0.0008911500000000, 0.0004840800000000, 0.0016982500000000 ] - [ -0.0001756400000000, -0.0005258000000000, 0.0007455200000000 ] - [ 0.0010998100000000, 0.0000000000000000, 0.0013659900000000 ] - [ 0.0017650800000000, 0.0000000000000000, 0.0014366700000000 ] - [ 0.0013780400000000, 0.0000000000000000, 0.0013598300000000 ] - [ 0.0015903500000000, 0.0000000000000000, 0.0014146700000000 ] - [ -0.0047809200000000, -0.0000503900000000, 0.0100540500000000 ] - [ -0.0054727500000000, -0.0000295500000000, 0.0103116700000000 ] - [ -0.0047809200000000, 0.0000503900000000, 0.0100540500000000 ] - [ -0.0054727500000000, 0.0000295500000000, 0.0103116700000000 ] - [ -0.0014288200000000, 0.0002683700000000, -0.0022626600000000 ] - [ -0.0020950300000000, -0.0000915700000000, -0.0024508600000000 ] - [ -0.0014288200000000, -0.0002683700000000, -0.0022626600000000 ] - [ -0.0020950300000000, 0.0000915700000000, -0.0024508600000000 ] - [ -0.0006055700000000, 0.0000472100000000, 0.0027127000000000 ] - [ 0.0003874500000000, 0.0002232700000000, 0.0028411100000000 ] - [ -0.0006055700000000, -0.0000472100000000, 0.0027127000000000 ] - [ 0.0003874500000000, -0.0002232700000000, 0.0028411100000000 ] - [ 0.0002362700000000, 0.0000000000000000, -0.0024679000000000 ] - [ -0.0002969800000000, 0.0000000000000000, -0.0029156500000000 ] - [ 0.0001527200000000, 0.0000000000000000, -0.0026966500000000 ] - [ 0.0000889200000000, 0.0000000000000000, -0.0028770800000000 ] - [ -0.0005665100000000, 0.0011295300000000, -0.0035938900000000 ] - [ -0.0008449900000000, -0.0003108500000000, -0.0023042900000000 ] - [ -0.0005665100000000, -0.0011295300000000, -0.0035938900000000 ] - [ -0.0008449900000000, 0.0003108500000000, -0.0023042900000000 ] - [ -0.0009478600000000, 0.0000000000000000, 0.0030284400000000 ] - [ 0.1099582200000000, 0.0000000000000000, -0.0087247400000000 ] - [ -0.0003600900000000, 0.0000000000000000, 0.0026437100000000 ] - [ 0.0017164900000000, 0.0000000000000000, 0.0032943600000000 ] - [ -0.0024256800000000, 0.0002335900000000, 0.0022648200000000 ] - [ -0.0020873000000000, -0.0023460700000000, 0.0041477900000000 ] - [ -0.0024256800000000, -0.0002335900000000, 0.0022648200000000 ] - [ -0.0020873000000000, 0.0023460700000000, 0.0041477900000000 ] - [ 0.0000493600000000, 0.0000000000000000, -0.0038131000000000 ] - [ -0.0005873700000000, 0.0000000000000000, -0.0033719700000000 ] - [ 0.0016398000000000, 0.0000000000000000, -0.0023924400000000 ] - [ 0.0020190100000000, 0.0000000000000000, -0.0024463900000000 ] - [ 0.0016154700000000, 0.0000000000000000, 0.0023133900000000 ] - [ 0.0022445700000000, 0.0000000000000000, 0.0022832200000000 ] - [ 0.0017184400000000, 0.0000000000000000, 0.0023255000000000 ] - [ 0.0020446100000000, 0.0000000000000000, 0.0023789700000000 ] - [ -0.0012588400000000, 0.0000000000000000, 0.0005356500000000 ] - [ 0.0020243800000000, 0.0000000000000000, 0.0009745600000000 ] - [ -0.0010715000000000, 0.0000000000000000, 0.0004723500000000 ] - [ -0.0004254500000000, 0.0000000000000000, 0.0002756100000000 ] - [ 0.0009225500000000, 0.0002020900000000, -0.0006824000000000 ] - [ 0.0005582100000000, 0.0000112800000000, -0.0001249200000000 ] - [ 0.0009225500000000, -0.0002020900000000, -0.0006824000000000 ] - [ 0.0005582100000000, -0.0000112800000000, -0.0001249200000000 ] - [ -0.0030712700000000, 0.0000000000000000, -0.0001841400000000 ] - [ -0.0024312200000000, 0.0000000000000000, -0.0007150300000000 ] - [ -0.0008375200000000, 0.0000000000000000, -0.0001820200000000 ] - [ -0.0009319400000000, 0.0000000000000000, -0.0004711900000000 ] - [ 0.0004356300000000, 0.0001455100000000, 0.0001593600000000 ] - [ 0.0012958000000000, -0.0003494000000000, 0.0008428100000000 ] - [ 0.0004356300000000, -0.0001455100000000, 0.0001593600000000 ] - [ 0.0012958000000000, 0.0003494000000000, 0.0008428100000000 ] - [ 0.0003245900000000, 0.0000000000000000, -0.0004526100000000 ] - [ 0.0006292600000000, 0.0000000000000000, -0.0003396600000000 ] - [ 0.0003753700000000, 0.0000000000000000, -0.0005288800000000 ] - [ 0.0006172200000000, 0.0000000000000000, -0.0004431600000000 ] - [ -0.0006385100000000, 0.0001685700000000, 0.0006290600000000 ] - [ -0.0005159800000000, -0.0002542300000000, -0.0000048500000000 ] - [ -0.0006385100000000, -0.0001685700000000, 0.0006290600000000 ] - [ -0.0005159800000000, 0.0002542300000000, -0.0000048500000000 ] - [ 0.0030545700000000, 0.0000000000000000, -0.0017976600000000 ] - [ -0.0001898800000000, 0.0000000000000000, 0.0003418800000000 ] - [ 0.0006967400000000, 0.0000000000000000, 0.0004906600000000 ] - [ 0.0002141600000000, 0.0000000000000000, 0.0004217100000000 ] - [ -0.0011270100000000, 0.0000495300000000, -0.0007384800000000 ] - [ 0.0017094600000000, 0.0018871900000000, -0.0001037000000000 ] - [ -0.0011270100000000, -0.0000495300000000, -0.0007384800000000 ] - [ 0.0017094600000000, -0.0018871900000000, -0.0001037000000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001941100000000, 0.0079350100000000, -0.0009974200000000 ] - [ 0.0012738500000000, 0.0074591200000000, -0.0010026700000000 ] - [ -0.0008256100000000, 0.0071061900000000, -0.0013091200000000 ] - [ -0.0063807400000000, 0.0126891000000000, -0.0017490900000000 ] - [ 0.0003379100000000, 0.0078606600000000, 0.0010738300000000 ] - [ 0.0000243400000000, 0.0077072000000000, 0.0010814300000000 ] - [ 0.0006058700000000, 0.0077852500000000, 0.0013935900000000 ] - [ -0.0000328900000000, 0.0079121600000000, 0.0009778400000000 ] - [ -0.0004528200000000, 0.0077529400000000, -0.0011045900000000 ] - [ 0.0002787900000000, 0.0080564900000000, -0.0013818500000000 ] - [ -0.0004880300000000, 0.0077159300000000, -0.0010684400000000 ] - [ 0.0000800000000000, 0.0078375900000000, -0.0011107000000000 ] - [ -0.0008256100000000, -0.0071061900000000, -0.0013091200000000 ] - [ -0.0063807400000000, -0.0126891000000000, -0.0017490900000000 ] - [ -0.0001941100000000, -0.0079350100000000, -0.0009974200000000 ] - [ 0.0012738500000000, -0.0074591200000000, -0.0010026700000000 ] - [ -0.0001921600000000, -0.0078370600000000, 0.0008933700000000 ] - [ -0.0012515600000000, -0.0070810200000000, 0.0014042200000000 ] - [ -0.0003011100000000, -0.0076309900000000, 0.0009283800000000 ] - [ -0.0003119500000000, -0.0079741600000000, 0.0012148700000000 ] - [ -0.0004528200000000, -0.0077529400000000, -0.0011045900000000 ] - [ 0.0002787900000000, -0.0080564900000000, -0.0013818500000000 ] - [ -0.0004880300000000, -0.0077159300000000, -0.0010684400000000 ] - [ 0.0000800000000000, -0.0078375900000000, -0.0011107000000000 ] - [ 0.0006058700000000, -0.0077852500000000, 0.0013935900000000 ] - [ -0.0000328900000000, -0.0079121600000000, 0.0009778400000000 ] - [ 0.0003379100000000, -0.0078606600000000, 0.0010738300000000 ] - [ 0.0000243400000000, -0.0077072000000000, 0.0010814300000000 ] - [ -0.0001921600000000, 0.0078370600000000, 0.0008933700000000 ] - [ -0.0012515600000000, 0.0070810200000000, 0.0014042200000000 ] - [ -0.0003011100000000, 0.0076309900000000, 0.0009283800000000 ] - [ -0.0003119500000000, 0.0079741600000000, 0.0012148700000000 ] - [ 0.1446048200000000, 0.0000000000000000, -0.0009923500000000 ] - [ 0.0043489500000000, 0.0000000000000000, 0.0100654200000000 ] - [ 0.0056129400000000, 0.0000000000000000, 0.0099529000000000 ] - [ 0.0045562000000000, 0.0000000000000000, 0.0099997900000000 ] - [ -0.0056535000000000, -0.0000989900000000, -0.0099605400000000 ] - [ -0.0045687900000000, 0.0010041100000000, -0.0106290200000000 ] - [ -0.0056535000000000, 0.0000989900000000, -0.0099605400000000 ] - [ -0.0045687900000000, -0.0010041100000000, -0.0106290200000000 ] - [ 0.0045883900000000, 0.0000000000000000, -0.0094732800000000 ] - [ 0.0045899100000000, 0.0000000000000000, -0.0101607400000000 ] - [ 0.0049629600000000, 0.0000000000000000, -0.0100138400000000 ] - [ 0.0049655300000000, 0.0000000000000000, -0.0101689000000000 ] - [ -0.0017844800000000, 0.0000027100000000, -0.0014136100000000 ] - [ -0.0010643000000000, 0.0000708300000000, -0.0015520700000000 ] - [ -0.0017844800000000, -0.0000027100000000, -0.0014136100000000 ] - [ -0.0010643000000000, -0.0000708300000000, -0.0015520700000000 ] - [ -0.0004111100000000, 0.0000000000000000, -0.0019892200000000 ] - [ -0.0048517400000000, 0.0000000000000000, -0.0006312600000000 ] - [ 0.0011433400000000, 0.0000000000000000, -0.0014442000000000 ] - [ 0.0018752800000000, 0.0000000000000000, -0.0013030300000000 ] - [ -0.0020598100000000, 0.0004740200000000, 0.0011249500000000 ] - [ -0.0027830100000000, -0.0005277600000000, 0.0020781900000000 ] - [ -0.0020598100000000, -0.0004740200000000, 0.0011249500000000 ] - [ -0.0027830100000000, 0.0005277600000000, 0.0020781900000000 ] - [ 0.0018549400000000, 0.0000000000000000, 0.0014524200000000 ] - [ 0.0011934900000000, 0.0000000000000000, 0.0013806800000000 ] - [ 0.0015780600000000, 0.0000000000000000, 0.0014603500000000 ] - [ 0.0013660800000000, 0.0000000000000000, 0.0014034900000000 ] - [ -0.0052700500000000, 0.0000499200000000, 0.0100811500000000 ] - [ -0.0045704800000000, 0.0000303400000000, 0.0098210000000000 ] - [ -0.0052700500000000, -0.0000499200000000, 0.0100811500000000 ] - [ -0.0045704800000000, -0.0000303400000000, 0.0098210000000000 ] - [ -0.0023144600000000, -0.0002678100000000, -0.0024605100000000 ] - [ -0.0016468000000000, 0.0000915200000000, -0.0022734200000000 ] - [ -0.0023144600000000, 0.0002678100000000, -0.0024605100000000 ] - [ -0.0016468000000000, -0.0000915200000000, -0.0022734200000000 ] - [ 0.0001341500000000, -0.0000469000000000, 0.0028536100000000 ] - [ -0.0008694600000000, -0.0002270100000000, 0.0027248000000000 ] - [ 0.0001341500000000, 0.0000469000000000, 0.0028536100000000 ] - [ -0.0008694600000000, 0.0002270100000000, 0.0027248000000000 ] - [ 0.0002403800000000, 0.0000000000000000, -0.0030953300000000 ] - [ 0.0007649800000000, 0.0000000000000000, -0.0026492600000000 ] - [ 0.0003207200000000, 0.0000000000000000, -0.0028713400000000 ] - [ 0.0003800200000000, 0.0000000000000000, -0.0026895900000000 ] - [ 0.0001185200000000, -0.0011210200000000, -0.0019812800000000 ] - [ 0.0003793300000000, 0.0003142900000000, -0.0032616400000000 ] - [ 0.0001185200000000, 0.0011210200000000, -0.0019812800000000 ] - [ 0.0003793300000000, -0.0003142900000000, -0.0032616400000000 ] - [ 0.0014119500000000, 0.0000000000000000, 0.0025417000000000 ] - [ -0.1153829000000000, 0.0000000000000000, 0.0149215500000000 ] - [ 0.0008276300000000, 0.0000000000000000, 0.0029198700000000 ] - [ -0.0012726300000000, 0.0000000000000000, 0.0022668100000000 ] - [ -0.0013187700000000, -0.0002334800000000, 0.0024536200000000 ] - [ -0.0016561300000000, 0.0023645300000000, 0.0005549900000000 ] - [ -0.0013187700000000, 0.0002334800000000, 0.0024536200000000 ] - [ -0.0016561300000000, -0.0023645300000000, 0.0005549900000000 ] - [ 0.0036732500000000, 0.0000000000000000, -0.0009283700000000 ] - [ 0.0043589400000000, 0.0000000000000000, -0.0013316300000000 ] - [ 0.0021072700000000, 0.0000000000000000, -0.0023363000000000 ] - [ 0.0017215800000000, 0.0000000000000000, -0.0022739800000000 ] - [ 0.0021284100000000, 0.0000000000000000, 0.0024077600000000 ] - [ 0.0015018700000000, 0.0000000000000000, 0.0024364300000000 ] - [ 0.0020240100000000, 0.0000000000000000, 0.0023966500000000 ] - [ 0.0016970700000000, 0.0000000000000000, 0.0023474500000000 ] - [ -0.0003649600000000, 0.0000000000000000, 0.0001757600000000 ] - [ -0.0036669600000000, 0.0000000000000000, -0.0003142500000000 ] - [ -0.0005510700000000, 0.0000000000000000, 0.0002381600000000 ] - [ -0.0012016300000000, 0.0000000000000000, 0.0004313400000000 ] - [ 0.0007040700000000, -0.0002050900000000, -0.0000237500000000 ] - [ 0.0010658300000000, -0.0000100100000000, -0.0005865300000000 ] - [ 0.0007040700000000, 0.0002050900000000, -0.0000237500000000 ] - [ 0.0010658300000000, 0.0000100100000000, -0.0005865300000000 ] - [ 0.0014474900000000, 0.0000000000000000, -0.0005385500000000 ] - [ 0.0008233400000000, 0.0000000000000000, 0.0000050400000000 ] - [ -0.0007812300000000, 0.0000000000000000, -0.0005253500000000 ] - [ -0.0006931000000000, 0.0000000000000000, -0.0002384200000000 ] - [ 0.0011902100000000, -0.0001442600000000, 0.0005490100000000 ] - [ 0.0003228900000000, 0.0003539800000000, -0.0001373300000000 ] - [ 0.0011902100000000, 0.0001442600000000, 0.0005490100000000 ] - [ 0.0003228900000000, -0.0003539800000000, -0.0001373300000000 ] - [ 0.0006715400000000, 0.0000000000000000, -0.0005310200000000 ] - [ 0.0003623400000000, 0.0000000000000000, -0.0006482100000000 ] - [ 0.0006197800000000, 0.0000000000000000, -0.0004554200000000 ] - [ 0.0003750900000000, 0.0000000000000000, -0.0005412300000000 ] - [ -0.0003526800000000, -0.0001671800000000, 0.0003559100000000 ] - [ -0.0004779800000000, 0.0002564700000000, 0.0009957000000000 ] - [ -0.0003526800000000, 0.0001671800000000, 0.0003559100000000 ] - [ -0.0004779800000000, -0.0002564700000000, 0.0009957000000000 ] - [ -0.0020355800000000, 0.0000000000000000, 0.0027693700000000 ] - [ 0.0011823400000000, 0.0000000000000000, 0.0006415800000000 ] - [ 0.0002976200000000, 0.0000000000000000, 0.0004988500000000 ] - [ 0.0007803700000000, 0.0000000000000000, 0.0005631300000000 ] - [ 0.0001335400000000, -0.0000493100000000, -0.0002457400000000 ] - [ -0.0027006000000000, -0.0019102900000000, -0.0008768600000000 ] - [ 0.0001335400000000, 0.0000493100000000, -0.0002457400000000 ] - [ -0.0027006000000000, 0.0019102900000000, -0.0008768600000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002585100000000, 0.0078475800000000, -0.0010536700000000 ] - [ 0.0011752900000000, 0.0087225900000000, -0.0013077500000000 ] - [ 0.0003106000000000, 0.0076669900000000, -0.0010461700000000 ] - [ -0.0052029500000000, 0.0091703000000000, -0.0019891700000000 ] - [ 0.0001374300000000, 0.0082248600000000, 0.0011936800000000 ] - [ 0.0002898000000000, 0.0078366900000000, 0.0010693400000000 ] - [ 0.0001765100000000, 0.0076029000000000, 0.0009682800000000 ] - [ 0.0002515900000000, 0.0076658400000000, 0.0011264200000000 ] - [ -0.0002456500000000, 0.0077337900000000, -0.0010856100000000 ] - [ -0.0002179300000000, 0.0076374600000000, -0.0010651500000000 ] - [ -0.0002187900000000, 0.0077840000000000, -0.0010718200000000 ] - [ -0.0002060500000000, 0.0078574400000000, -0.0010598600000000 ] - [ 0.0001684000000000, -0.0078658300000000, -0.0010952800000000 ] - [ 0.0056607500000000, -0.0063377500000000, -0.0001705800000000 ] - [ 0.0002117100000000, -0.0076766400000000, -0.0010914700000000 ] - [ -0.0007230900000000, -0.0068056900000000, -0.0008307900000000 ] - [ -0.0001330800000000, -0.0080221100000000, 0.0011657900000000 ] - [ -0.0000584700000000, -0.0080909100000000, 0.0010728900000000 ] - [ -0.0005326200000000, -0.0074208900000000, 0.0010095800000000 ] - [ -0.0002386700000000, -0.0076275600000000, 0.0010217900000000 ] - [ -0.0002258600000000, -0.0077880500000000, -0.0010597200000000 ] - [ -0.0002551200000000, -0.0078896600000000, -0.0010784700000000 ] - [ -0.0002521000000000, -0.0077385300000000, -0.0010724700000000 ] - [ -0.0002666200000000, -0.0076657100000000, -0.0010835900000000 ] - [ 0.0002918700000000, -0.0079197600000000, 0.0011750500000000 ] - [ 0.0002181400000000, -0.0078610300000000, 0.0010133000000000 ] - [ 0.0003344400000000, -0.0072928400000000, 0.0009490800000000 ] - [ 0.0001781000000000, -0.0076919900000000, 0.0010700400000000 ] - [ -0.0003403900000000, 0.0075057000000000, 0.0009789500000000 ] - [ -0.0004082500000000, 0.0074349200000000, 0.0010753600000000 ] - [ 0.0000641300000000, 0.0081075800000000, 0.0011309800000000 ] - [ -0.0002339700000000, 0.0078894300000000, 0.0011264500000000 ] - [ 0.0048082600000000, -0.0168926400000000, 0.0101394700000000 ] - [ 0.0050192300000000, -0.0000386600000000, 0.0100672000000000 ] - [ 0.0050110000000000, 0.0030584000000000, 0.0100743100000000 ] - [ 0.0050182700000000, 0.0000313800000000, 0.0100671500000000 ] - [ -0.0049187500000000, -0.0000381000000000, -0.0101737400000000 ] - [ -0.0060119300000000, 0.0022620400000000, -0.0119682100000000 ] - [ -0.0051159900000000, -0.0000388800000000, -0.0099609000000000 ] - [ -0.0040196100000000, 0.0022812300000000, -0.0081455000000000 ] - [ 0.0050185700000000, -0.0000820800000000, -0.0100720400000000 ] - [ 0.0050176600000000, -0.0000819400000000, -0.0100688600000000 ] - [ 0.0050180700000000, 0.0001508700000000, -0.0100689500000000 ] - [ 0.0050172200000000, 0.0001507400000000, -0.0100683900000000 ] - [ -0.0015094400000000, 0.0000022200000000, -0.0014185800000000 ] - [ -0.0014587300000000, -0.0000419800000000, -0.0013472500000000 ] - [ -0.0014492600000000, 0.0000021200000000, -0.0013888100000000 ] - [ -0.0015130100000000, -0.0000438300000000, -0.0014606400000000 ] - [ 0.0014830700000000, -0.0000128300000000, -0.0014000800000000 ] - [ 0.0015070100000000, -0.0012942700000000, -0.0014019100000000 ] - [ 0.0014788600000000, 0.0000561300000000, -0.0014022000000000 ] - [ 0.0014809200000000, 0.0003077500000000, -0.0014027100000000 ] - [ -0.0019249400000000, 0.0000936000000000, 0.0013991100000000 ] - [ -0.0008089200000000, 0.0001232000000000, 0.0009289600000000 ] - [ -0.0010532400000000, 0.0000899300000000, 0.0014038600000000 ] - [ -0.0021473600000000, 0.0001192300000000, 0.0018753600000000 ] - [ 0.0014788500000000, -0.0000226900000000, 0.0014021900000000 ] - [ 0.0014845100000000, -0.0000115100000000, 0.0014036300000000 ] - [ 0.0014804500000000, 0.0002141400000000, 0.0014006700000000 ] - [ 0.0014825600000000, 0.0000021100000000, 0.0014034800000000 ] - [ -0.0050683900000000, 0.0000048100000000, 0.0100653400000000 ] - [ -0.0050486700000000, -0.0000258700000000, 0.0102267800000000 ] - [ -0.0049688100000000, 0.0000047700000000, 0.0100701800000000 ] - [ -0.0049888100000000, -0.0000273300000000, 0.0099096000000000 ] - [ -0.0018836700000000, 0.0000591300000000, -0.0023942700000000 ] - [ -0.0018951400000000, 0.0000187300000000, -0.0023952000000000 ] - [ -0.0018496400000000, 0.0000640800000000, -0.0023407500000000 ] - [ -0.0018411600000000, 0.0000188400000000, -0.0023486300000000 ] - [ -0.0001860800000000, -0.0000072000000000, 0.0027861400000000 ] - [ -0.0001893200000000, 0.0000255200000000, 0.0026612100000000 ] - [ -0.0002994000000000, -0.0000072200000000, 0.0027728600000000 ] - [ -0.0002814800000000, 0.0000294500000000, 0.0029051900000000 ] - [ 0.0002502200000000, 0.0004423800000000, -0.0027760100000000 ] - [ 0.0002458200000000, 0.0000057500000000, -0.0027783100000000 ] - [ 0.0002482800000000, -0.0007975800000000, -0.0027784500000000 ] - [ 0.0002436600000000, -0.0000553700000000, -0.0027782100000000 ] - [ 0.0013748300000000, 0.0000911900000000, -0.0026804500000000 ] - [ -0.0002726200000000, 0.0002308900000000, -0.0021338900000000 ] - [ -0.0018459900000000, 0.0000973600000000, -0.0028762200000000 ] - [ -0.0001991000000000, 0.0002345100000000, -0.0034242500000000 ] - [ 0.0002398800000000, 0.0001740400000000, 0.0027773600000000 ] - [ 0.0004602300000000, 0.0092974500000000, 0.0027494000000000 ] - [ 0.0002441000000000, -0.0000654700000000, 0.0027763000000000 ] - [ 0.0002582500000000, -0.0011708100000000, 0.0027789300000000 ] - [ -0.0016078300000000, -0.0000890300000000, 0.0023642000000000 ] - [ -0.0024110400000000, -0.0009488900000000, 0.0034736500000000 ] - [ -0.0021182400000000, -0.0000945600000000, 0.0023847200000000 ] - [ -0.0013181700000000, -0.0009344700000000, 0.0012758200000000 ] - [ 0.0018641000000000, 0.0001810000000000, -0.0023847200000000 ] - [ 0.0018541500000000, -0.0001386800000000, -0.0023922800000000 ] - [ 0.0018662800000000, -0.0003013600000000, -0.0023699000000000 ] - [ 0.0018665100000000, -0.0002769600000000, -0.0023881000000000 ] - [ 0.0018619700000000, 0.0000278500000000, 0.0023812000000000 ] - [ 0.0018663700000000, 0.0000955000000000, 0.0023777100000000 ] - [ 0.0018665100000000, -0.0000063100000000, 0.0023663600000000 ] - [ 0.0018642700000000, -0.0001486800000000, 0.0023847600000000 ] - [ -0.0008134500000000, 0.0000118500000000, 0.0003585200000000 ] - [ -0.0008086500000000, 0.0008468800000000, 0.0003533800000000 ] - [ -0.0008124100000000, -0.0000177600000000, 0.0003584500000000 ] - [ -0.0008097500000000, -0.0005381000000000, 0.0003608000000000 ] - [ 0.0008607500000000, -0.0000136800000000, -0.0000726600000000 ] - [ 0.0007946100000000, -0.0000052300000000, -0.0003520100000000 ] - [ 0.0007628300000000, -0.0000103300000000, -0.0006446800000000 ] - [ 0.0008267100000000, -0.0000052000000000, -0.0003637400000000 ] - [ -0.0008260700000000, -0.0003443700000000, -0.0003511700000000 ] - [ -0.0008157100000000, 0.0010134600000000, -0.0003603800000000 ] - [ -0.0008146400000000, -0.0001850200000000, -0.0003597100000000 ] - [ -0.0008105400000000, -0.0004032000000000, -0.0003583800000000 ] - [ 0.0008385900000000, 0.0000043400000000, 0.0003774000000000 ] - [ 0.0006314400000000, 0.0000905400000000, 0.0005324800000000 ] - [ 0.0007819400000000, 0.0000042100000000, 0.0003397900000000 ] - [ 0.0009912100000000, 0.0000942400000000, 0.0001856700000000 ] - [ 0.0004941000000000, 0.0000491700000000, -0.0004896100000000 ] - [ 0.0004936300000000, 0.0000890100000000, -0.0004899900000000 ] - [ 0.0004931800000000, -0.0000471700000000, -0.0004905900000000 ] - [ 0.0004944800000000, -0.0000951600000000, -0.0004903100000000 ] - [ -0.0004251900000000, 0.0000053500000000, 0.0004665000000000 ] - [ -0.0005992000000000, -0.0000720200000000, 0.0002506400000000 ] - [ -0.0005664200000000, 0.0000047900000000, 0.0005145400000000 ] - [ -0.0003914000000000, -0.0000705700000000, 0.0007291700000000 ] - [ 0.0005013800000000, 0.0011616100000000, 0.0004800900000000 ] - [ 0.0004924600000000, 0.0000330200000000, 0.0004905900000000 ] - [ 0.0004934100000000, -0.0010220100000000, 0.0004880000000000 ] - [ 0.0004936800000000, -0.0000578300000000, 0.0004906600000000 ] - [ -0.0005823800000000, 0.0000214700000000, -0.0005198100000000 ] - [ -0.0000125100000000, -0.0010182000000000, 0.0003058600000000 ] - [ -0.0004108800000000, 0.0000202600000000, -0.0004624100000000 ] - [ -0.0009880500000000, -0.0008906800000000, -0.0013272300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002311200000000, 0.0077038500000000, -0.0011566100000000 ] - [ 0.0006376100000000, 0.0079884400000000, -0.0014026400000000 ] - [ 0.0002811200000000, 0.0077673800000000, -0.0010650800000000 ] - [ 0.0028181400000000, 0.0059337000000000, -0.0027500500000000 ] - [ 0.0001866400000000, 0.0078061700000000, 0.0011819000000000 ] - [ 0.0002867800000000, 0.0077455900000000, 0.0011186700000000 ] - [ -0.0000174700000000, 0.0074749200000000, 0.0017811300000000 ] - [ 0.0003592200000000, 0.0077116100000000, 0.0010893800000000 ] - [ -0.0002154900000000, 0.0077963900000000, -0.0010310500000000 ] - [ -0.0004289000000000, 0.0077063800000000, 0.0004803600000000 ] - [ -0.0002533300000000, 0.0077994900000000, -0.0010075400000000 ] - [ -0.0002494400000000, 0.0078637500000000, -0.0007915400000000 ] - [ 0.0002811200000000, -0.0077673800000000, -0.0010650800000000 ] - [ 0.0028181400000000, -0.0059337000000000, -0.0027500500000000 ] - [ 0.0002311200000000, -0.0077038500000000, -0.0011566100000000 ] - [ 0.0006376100000000, -0.0079884400000000, -0.0014026400000000 ] - [ 0.0003893200000000, -0.0075173600000000, 0.0004009400000000 ] - [ -0.0008449400000000, -0.0068567400000000, 0.0008661100000000 ] - [ 0.0000604000000000, -0.0079746600000000, 0.0009785600000000 ] - [ -0.0002387700000000, -0.0078790800000000, 0.0008521100000000 ] - [ -0.0002154900000000, -0.0077963900000000, -0.0010310500000000 ] - [ -0.0004289000000000, -0.0077063800000000, 0.0004803600000000 ] - [ -0.0002533300000000, -0.0077994900000000, -0.0010075400000000 ] - [ -0.0002494400000000, -0.0078637500000000, -0.0007915400000000 ] - [ -0.0000174700000000, -0.0074749200000000, 0.0017811300000000 ] - [ 0.0003592200000000, -0.0077116100000000, 0.0010893800000000 ] - [ 0.0001866400000000, -0.0078061700000000, 0.0011819000000000 ] - [ 0.0002867800000000, -0.0077455900000000, 0.0011186700000000 ] - [ 0.0003893200000000, 0.0075173600000000, 0.0004009400000000 ] - [ -0.0008449400000000, 0.0068567400000000, 0.0008661100000000 ] - [ 0.0000604000000000, 0.0079746600000000, 0.0009785600000000 ] - [ -0.0002387700000000, 0.0078790800000000, 0.0008521100000000 ] - [ 0.0156422400000000, 0.0000000000000000, -0.0148400200000000 ] - [ 0.0050247000000000, 0.0000000000000000, 0.0100381000000000 ] - [ 0.0051325700000000, 0.0000000000000000, 0.0094648700000000 ] - [ 0.0050916700000000, 0.0000000000000000, 0.0100158300000000 ] - [ -0.0051288600000000, -0.0001061900000000, -0.0102139900000000 ] - [ -0.0044689200000000, -0.0019151900000000, -0.0097486200000000 ] - [ -0.0051288600000000, 0.0001061900000000, -0.0102139900000000 ] - [ -0.0044689200000000, 0.0019151900000000, -0.0097486200000000 ] - [ 0.0049327400000000, 0.0000000000000000, -0.0101030600000000 ] - [ 0.0056191300000000, 0.0000000000000000, -0.0101004600000000 ] - [ 0.0049223000000000, 0.0000000000000000, -0.0099911400000000 ] - [ 0.0050766700000000, 0.0000000000000000, -0.0099906500000000 ] - [ -0.0015060700000000, 0.0000142500000000, -0.0013448900000000 ] - [ -0.0014963400000000, -0.0000051800000000, -0.0007606800000000 ] - [ -0.0015060700000000, -0.0000142500000000, -0.0013448900000000 ] - [ -0.0014963400000000, 0.0000051800000000, -0.0007606800000000 ] - [ 0.0011364300000000, 0.0000000000000000, -0.0017474700000000 ] - [ -0.0061497500000000, 0.0000000000000000, -0.0018118500000000 ] - [ 0.0015533200000000, 0.0000000000000000, -0.0015664300000000 ] - [ 0.0014803000000000, 0.0000000000000000, -0.0016433700000000 ] - [ -0.0015909000000000, 0.0000314600000000, 0.0011098500000000 ] - [ -0.0010296200000000, 0.0001309900000000, 0.0007681500000000 ] - [ -0.0015909000000000, -0.0000314600000000, 0.0011098500000000 ] - [ -0.0010296200000000, -0.0001309900000000, 0.0007681500000000 ] - [ 0.0006265500000000, 0.0000000000000000, 0.0024307600000000 ] - [ 0.0016991900000000, 0.0000000000000000, 0.0015623200000000 ] - [ 0.0014728500000000, 0.0000000000000000, 0.0015864100000000 ] - [ 0.0015058900000000, 0.0000000000000000, 0.0014674700000000 ] - [ -0.0050092800000000, 0.0000022900000000, 0.0101264600000000 ] - [ -0.0052726400000000, -0.0001600500000000, 0.0102696200000000 ] - [ -0.0050092800000000, -0.0000022900000000, 0.0101264600000000 ] - [ -0.0052726400000000, 0.0001600500000000, 0.0102696200000000 ] - [ -0.0019577700000000, -0.0002014800000000, -0.0024954600000000 ] - [ -0.0018930900000000, -0.0000394600000000, -0.0024120100000000 ] - [ -0.0019577700000000, 0.0002014800000000, -0.0024954600000000 ] - [ -0.0018930900000000, 0.0000394600000000, -0.0024120100000000 ] - [ -0.0002315300000000, -0.0000254100000000, 0.0027175600000000 ] - [ -0.0001797000000000, 0.0006788200000000, 0.0023525200000000 ] - [ -0.0002315300000000, 0.0000254100000000, 0.0027175600000000 ] - [ -0.0001797000000000, -0.0006788200000000, 0.0023525200000000 ] - [ 0.0006247000000000, 0.0000000000000000, -0.0033283600000000 ] - [ -0.0002226300000000, 0.0000000000000000, -0.0026473700000000 ] - [ 0.0003844000000000, 0.0000000000000000, -0.0029303900000000 ] - [ 0.0001689500000000, 0.0000000000000000, -0.0028849400000000 ] - [ -0.0010645200000000, 0.0001865900000000, -0.0022195800000000 ] - [ -0.0001873500000000, 0.0006165700000000, -0.0018707000000000 ] - [ -0.0010645200000000, -0.0001865900000000, -0.0022195800000000 ] - [ -0.0001873500000000, -0.0006165700000000, -0.0018707000000000 ] - [ 0.0002937800000000, 0.0000000000000000, 0.0027563300000000 ] - [ -0.0089346100000000, 0.0000000000000000, 0.0138764100000000 ] - [ 0.0001732900000000, 0.0000000000000000, 0.0029222400000000 ] - [ -0.0000560000000000, 0.0000000000000000, 0.0032873500000000 ] - [ -0.0018079500000000, 0.0000404000000000, 0.0024449700000000 ] - [ -0.0017994800000000, -0.0005389500000000, 0.0037188900000000 ] - [ -0.0018079500000000, -0.0000404000000000, 0.0024449700000000 ] - [ -0.0017994800000000, 0.0005389500000000, 0.0037188900000000 ] - [ 0.0018775300000000, 0.0000000000000000, -0.0012302100000000 ] - [ 0.0045498300000000, 0.0000000000000000, -0.0007374800000000 ] - [ 0.0018170200000000, 0.0000000000000000, -0.0020439400000000 ] - [ 0.0017958200000000, 0.0000000000000000, -0.0021097300000000 ] - [ 0.0017887300000000, 0.0000000000000000, 0.0023662900000000 ] - [ 0.0019029900000000, 0.0000000000000000, 0.0011705200000000 ] - [ 0.0018551200000000, 0.0000000000000000, 0.0023246900000000 ] - [ 0.0017983200000000, 0.0000000000000000, 0.0022101300000000 ] - [ -0.0008675700000000, 0.0000000000000000, 0.0003912500000000 ] - [ -0.0000637400000000, 0.0000000000000000, -0.0018731900000000 ] - [ -0.0008316200000000, 0.0000000000000000, 0.0003645200000000 ] - [ -0.0008465900000000, 0.0000000000000000, 0.0001782200000000 ] - [ 0.0006849200000000, 0.0003534300000000, -0.0009394900000000 ] - [ 0.0008712400000000, 0.0000071700000000, -0.0004719200000000 ] - [ 0.0006849200000000, -0.0003534300000000, -0.0009394900000000 ] - [ 0.0008712400000000, -0.0000071700000000, -0.0004719200000000 ] - [ -0.0012441300000000, 0.0000000000000000, -0.0001862700000000 ] - [ -0.0012054600000000, 0.0000000000000000, -0.0001362300000000 ] - [ -0.0006443000000000, 0.0000000000000000, -0.0002841200000000 ] - [ -0.0010048100000000, 0.0000000000000000, -0.0004231800000000 ] - [ 0.0006152300000000, 0.0000474300000000, 0.0002627300000000 ] - [ 0.0009340000000000, 0.0004015600000000, 0.0002388700000000 ] - [ 0.0006152300000000, -0.0000474300000000, 0.0002627300000000 ] - [ 0.0009340000000000, -0.0004015600000000, 0.0002388700000000 ] - [ 0.0005862700000000, 0.0000000000000000, -0.0006116200000000 ] - [ 0.0006612100000000, 0.0000000000000000, -0.0008280400000000 ] - [ 0.0005159000000000, 0.0000000000000000, -0.0005908600000000 ] - [ 0.0005042600000000, 0.0000000000000000, -0.0005138200000000 ] - [ -0.0003588800000000, -0.0000440000000000, 0.0004673000000000 ] - [ -0.0006070500000000, -0.0001199600000000, 0.0003104600000000 ] - [ -0.0003588800000000, 0.0000440000000000, 0.0004673000000000 ] - [ -0.0006070500000000, 0.0001199600000000, 0.0003104600000000 ] - [ -0.0009634900000000, 0.0000000000000000, 0.0105618900000000 ] - [ 0.0007551200000000, 0.0000000000000000, 0.0004345100000000 ] - [ 0.0005534000000000, 0.0000000000000000, 0.0006884700000000 ] - [ 0.0004644900000000, 0.0000000000000000, 0.0004929300000000 ] - [ -0.0005791400000000, 0.0000363500000000, -0.0004429700000000 ] - [ -0.0004147700000000, -0.0006017600000000, 0.0008696200000000 ] - [ -0.0005791400000000, -0.0000363500000000, -0.0004429700000000 ] - [ -0.0004147700000000, 0.0006017600000000, 0.0008696200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002386200000000, 0.0078195600000000, -0.0009783500000000 ] - [ -0.0001693200000000, 0.0075388400000000, -0.0007331900000000 ] - [ 0.0001908500000000, 0.0077602800000000, -0.0010684700000000 ] - [ -0.0023144700000000, 0.0095749400000000, 0.0006295100000000 ] - [ 0.0002808900000000, 0.0077175700000000, 0.0009552900000000 ] - [ 0.0001819500000000, 0.0077780200000000, 0.0010152300000000 ] - [ 0.0004867000000000, 0.0080578800000000, 0.0003489800000000 ] - [ 0.0001079900000000, 0.0078122000000000, 0.0010461700000000 ] - [ -0.0002505600000000, 0.0077271100000000, -0.0011030200000000 ] - [ -0.0000446900000000, 0.0078009600000000, -0.0026241600000000 ] - [ -0.0002129800000000, 0.0077250300000000, -0.0011265300000000 ] - [ -0.0002202100000000, 0.0076626700000000, -0.0013437400000000 ] - [ 0.0001908500000000, -0.0077602800000000, -0.0010684700000000 ] - [ -0.0023144700000000, -0.0095749400000000, 0.0006295100000000 ] - [ 0.0002386200000000, -0.0078195600000000, -0.0009783500000000 ] - [ -0.0001693200000000, -0.0075388400000000, -0.0007331900000000 ] - [ -0.0008559400000000, -0.0080009400000000, 0.0017311300000000 ] - [ 0.0003796700000000, -0.0086687300000000, 0.0012630400000000 ] - [ -0.0005291900000000, -0.0075497100000000, 0.0011551200000000 ] - [ -0.0002285500000000, -0.0076455900000000, 0.0012794100000000 ] - [ -0.0002505600000000, -0.0077271100000000, -0.0011030200000000 ] - [ -0.0000446900000000, -0.0078009600000000, -0.0026241600000000 ] - [ -0.0002129800000000, -0.0077250300000000, -0.0011265300000000 ] - [ -0.0002202100000000, -0.0076626700000000, -0.0013437400000000 ] - [ 0.0004867000000000, -0.0080578800000000, 0.0003489800000000 ] - [ 0.0001079900000000, -0.0078122000000000, 0.0010461700000000 ] - [ 0.0002808900000000, -0.0077175700000000, 0.0009552900000000 ] - [ 0.0001819500000000, -0.0077780200000000, 0.0010152300000000 ] - [ -0.0008559400000000, 0.0080009400000000, 0.0017311300000000 ] - [ 0.0003796700000000, 0.0086687300000000, 0.0012630400000000 ] - [ -0.0005291900000000, 0.0075497100000000, 0.0011551200000000 ] - [ -0.0002285500000000, 0.0076455900000000, 0.0012794100000000 ] - [ -0.0059308000000000, 0.0000000000000000, 0.0346012800000000 ] - [ 0.0050244900000000, 0.0000000000000000, 0.0100962400000000 ] - [ 0.0049146300000000, 0.0000000000000000, 0.0106660000000000 ] - [ 0.0049583600000000, 0.0000000000000000, 0.0101180900000000 ] - [ -0.0049169100000000, 0.0001068800000000, -0.0099207500000000 ] - [ -0.0055821300000000, 0.0019074500000000, -0.0103871000000000 ] - [ -0.0049169100000000, -0.0001068800000000, -0.0099207500000000 ] - [ -0.0055821300000000, -0.0019074500000000, -0.0103871000000000 ] - [ 0.0051174100000000, 0.0000000000000000, -0.0100327100000000 ] - [ 0.0044227800000000, 0.0000000000000000, -0.0100306000000000 ] - [ 0.0051259500000000, 0.0000000000000000, -0.0101437700000000 ] - [ 0.0049702700000000, 0.0000000000000000, -0.0101428400000000 ] - [ -0.0014469700000000, -0.0000146800000000, -0.0014745000000000 ] - [ -0.0014576300000000, 0.0000000500000000, -0.0020557500000000 ] - [ -0.0014469700000000, 0.0000146800000000, -0.0014745000000000 ] - [ -0.0014576300000000, -0.0000000500000000, -0.0020557500000000 ] - [ 0.0018171600000000, 0.0000000000000000, -0.0010744600000000 ] - [ 0.0090778600000000, 0.0000000000000000, -0.0009986500000000 ] - [ 0.0014034300000000, 0.0000000000000000, -0.0012527800000000 ] - [ 0.0014741700000000, 0.0000000000000000, -0.0011779400000000 ] - [ -0.0013661600000000, -0.0000322400000000, 0.0017089100000000 ] - [ -0.0019184200000000, -0.0001287100000000, 0.0020467500000000 ] - [ -0.0013661600000000, 0.0000322400000000, 0.0017089100000000 ] - [ -0.0019184200000000, 0.0001287100000000, 0.0020467500000000 ] - [ 0.0023438400000000, 0.0000000000000000, 0.0003885000000000 ] - [ 0.0012507000000000, 0.0000000000000000, 0.0012563900000000 ] - [ 0.0014827000000000, 0.0000000000000000, 0.0012345100000000 ] - [ 0.0014482900000000, 0.0000000000000000, 0.0013527800000000 ] - [ -0.0050360700000000, -0.0000030900000000, 0.0100087900000000 ] - [ -0.0047824100000000, 0.0001569400000000, 0.0098671100000000 ] - [ -0.0050360700000000, 0.0000030900000000, 0.0100087900000000 ] - [ -0.0047824100000000, -0.0001569400000000, 0.0098671100000000 ] - [ -0.0017912200000000, 0.0002053500000000, -0.0022282800000000 ] - [ -0.0018533900000000, 0.0000396900000000, -0.0023087400000000 ] - [ -0.0017912200000000, -0.0002053500000000, -0.0022282800000000 ] - [ -0.0018533900000000, -0.0000396900000000, -0.0023087400000000 ] - [ -0.0002417300000000, 0.0000261300000000, 0.0028500700000000 ] - [ -0.0002785100000000, -0.0006659700000000, 0.0032155200000000 ] - [ -0.0002417300000000, -0.0000261300000000, 0.0028500700000000 ] - [ -0.0002785100000000, 0.0006659700000000, 0.0032155200000000 ] - [ -0.0001614400000000, 0.0000000000000000, -0.0022501700000000 ] - [ 0.0006965400000000, 0.0000000000000000, -0.0029267100000000 ] - [ 0.0000825800000000, 0.0000000000000000, -0.0026387700000000 ] - [ 0.0002994500000000, 0.0000000000000000, -0.0026844100000000 ] - [ 0.0006078100000000, -0.0001885100000000, -0.0033455600000000 ] - [ -0.0002837900000000, -0.0006177600000000, -0.0036914400000000 ] - [ 0.0006078100000000, 0.0001885100000000, -0.0033455600000000 ] - [ -0.0002837900000000, 0.0006177600000000, -0.0036914400000000 ] - [ 0.0001728300000000, 0.0000000000000000, 0.0028086000000000 ] - [ 0.0097249200000000, 0.0000000000000000, -0.0084224900000000 ] - [ 0.0002928000000000, 0.0000000000000000, 0.0026450100000000 ] - [ 0.0005245400000000, 0.0000000000000000, 0.0022860400000000 ] - [ -0.0019387100000000, -0.0000401700000000, 0.0022734900000000 ] - [ -0.0019524000000000, 0.0005264700000000, 0.0010130100000000 ] - [ -0.0019387100000000, 0.0000401700000000, 0.0022734900000000 ] - [ -0.0019524000000000, -0.0005264700000000, 0.0010130100000000 ] - [ 0.0018726300000000, 0.0000000000000000, -0.0034936600000000 ] - [ -0.0008059300000000, 0.0000000000000000, -0.0039680300000000 ] - [ 0.0019285700000000, 0.0000000000000000, -0.0026785800000000 ] - [ 0.0019488900000000, 0.0000000000000000, -0.0026079100000000 ] - [ 0.0019569200000000, 0.0000000000000000, 0.0023521600000000 ] - [ 0.0018422300000000, 0.0000000000000000, 0.0035540400000000 ] - [ 0.0018899600000000, 0.0000000000000000, 0.0023937600000000 ] - [ 0.0019451200000000, 0.0000000000000000, 0.0025113300000000 ] - [ -0.0007576100000000, 0.0000000000000000, 0.0003164900000000 ] - [ -0.0015970600000000, 0.0000000000000000, 0.0025225100000000 ] - [ -0.0007928500000000, 0.0000000000000000, 0.0003435600000000 ] - [ -0.0007746200000000, 0.0000000000000000, 0.0005242900000000 ] - [ 0.0009356200000000, -0.0003458800000000, 0.0002320200000000 ] - [ 0.0007510100000000, -0.0000066200000000, -0.0002344600000000 ] - [ 0.0009356200000000, 0.0003458800000000, 0.0002320200000000 ] - [ 0.0007510100000000, 0.0000066200000000, -0.0002344600000000 ] - [ -0.0003885600000000, 0.0000000000000000, -0.0004992400000000 ] - [ -0.0004279500000000, 0.0000000000000000, -0.0005764700000000 ] - [ -0.0009782600000000, 0.0000000000000000, -0.0004256600000000 ] - [ -0.0006209800000000, 0.0000000000000000, -0.0002880400000000 ] - [ 0.0010063200000000, -0.0000465700000000, 0.0004461700000000 ] - [ 0.0006934900000000, -0.0004013700000000, 0.0004765500000000 ] - [ 0.0010063200000000, 0.0000465700000000, 0.0004461700000000 ] - [ 0.0006934900000000, 0.0004013700000000, 0.0004765500000000 ] - [ 0.0004038500000000, 0.0000000000000000, -0.0003740700000000 ] - [ 0.0003372600000000, 0.0000000000000000, -0.0001540600000000 ] - [ 0.0004774400000000, 0.0000000000000000, -0.0003931900000000 ] - [ 0.0004915100000000, 0.0000000000000000, -0.0004702400000000 ] - [ -0.0006367200000000, 0.0000455400000000, 0.0005168300000000 ] - [ -0.0003856100000000, 0.0001204400000000, 0.0006686100000000 ] - [ -0.0006367200000000, -0.0000455400000000, 0.0005168300000000 ] - [ -0.0003856100000000, -0.0001204400000000, 0.0006686100000000 ] - [ 0.0019538500000000, 0.0000000000000000, -0.0090535000000000 ] - [ 0.0002371100000000, 0.0000000000000000, 0.0005512300000000 ] - [ 0.0004415900000000, 0.0000000000000000, 0.0002996400000000 ] - [ 0.0005283300000000, 0.0000000000000000, 0.0004923200000000 ] - [ -0.0004181500000000, -0.0000363200000000, -0.0005440700000000 ] - [ -0.0005705700000000, 0.0005833600000000, -0.0018575000000000 ] - [ -0.0004181500000000, 0.0000363200000000, -0.0005440700000000 ] - [ -0.0005705700000000, -0.0005833600000000, -0.0018575000000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000284000000000, 0.0078837000000000, -0.0009943100000000 ] - [ 0.0005100800000000, 0.0076480600000000, -0.0011717700000000 ] - [ -0.0000516900000000, 0.0078644900000000, -0.0009752700000000 ] - [ 0.0005870300000000, 0.0077646500000000, -0.0010612600000000 ] - [ 0.0021200000000000, 0.0089564900000000, 0.0013098300000000 ] - [ 0.0035300400000000, 0.0029210700000000, 0.0027340600000000 ] - [ 0.0006091400000000, 0.0074677600000000, 0.0010911500000000 ] - [ -0.0001118400000000, 0.0080070700000000, 0.0010751800000000 ] - [ -0.0023046300000000, 0.0071986000000000, -0.0007752900000000 ] - [ 0.0006385100000000, 0.0077437700000000, -0.0011321200000000 ] - [ -0.0006711900000000, 0.0077457200000000, -0.0013267300000000 ] - [ 0.0000552300000000, 0.0078876100000000, -0.0009356500000000 ] - [ 0.0000284000000000, -0.0078837000000000, -0.0009943100000000 ] - [ 0.0005100800000000, -0.0076480600000000, -0.0011717700000000 ] - [ -0.0000516900000000, -0.0078644900000000, -0.0009752700000000 ] - [ 0.0005870300000000, -0.0077646500000000, -0.0010612600000000 ] - [ -0.0002060100000000, -0.0078601500000000, 0.0010679000000000 ] - [ -0.0002474200000000, -0.0076872400000000, 0.0011117900000000 ] - [ -0.0002549200000000, -0.0076831300000000, 0.0011971300000000 ] - [ -0.0000235100000000, -0.0081688700000000, 0.0007749000000000 ] - [ -0.0006711900000000, -0.0077457200000000, -0.0013267300000000 ] - [ 0.0000552300000000, -0.0078876100000000, -0.0009356500000000 ] - [ -0.0023046300000000, -0.0071986000000000, -0.0007752900000000 ] - [ 0.0006385100000000, -0.0077437700000000, -0.0011321200000000 ] - [ 0.0021200000000000, -0.0089564900000000, 0.0013098300000000 ] - [ 0.0035300400000000, -0.0029210700000000, 0.0027340600000000 ] - [ 0.0006091400000000, -0.0074677600000000, 0.0010911500000000 ] - [ -0.0001118400000000, -0.0080070700000000, 0.0010751800000000 ] - [ -0.0002549200000000, 0.0076831300000000, 0.0011971300000000 ] - [ -0.0000235100000000, 0.0081688700000000, 0.0007749000000000 ] - [ -0.0002060100000000, 0.0078601500000000, 0.0010679000000000 ] - [ -0.0002474200000000, 0.0076872400000000, 0.0011117900000000 ] - [ 0.0053298800000000, -0.0000291000000000, 0.0100384700000000 ] - [ 0.0046123300000000, 0.0000293000000000, 0.0100463100000000 ] - [ 0.0053298800000000, 0.0000291000000000, 0.0100384700000000 ] - [ 0.0046123300000000, -0.0000293000000000, 0.0100463100000000 ] - [ -0.0054007500000000, 0.0000000000000000, -0.0109234600000000 ] - [ -0.0047375800000000, 0.0000000000000000, -0.0098432600000000 ] - [ -0.0051253800000000, 0.0000000000000000, -0.0100711800000000 ] - [ -0.0049114600000000, 0.0000000000000000, -0.0100383000000000 ] - [ 0.0056082000000000, -0.0004337900000000, -0.0099564100000000 ] - [ 0.0063281100000000, 0.0006699200000000, -0.0105138000000000 ] - [ 0.0056082000000000, 0.0004337900000000, -0.0099564100000000 ] - [ 0.0063281100000000, -0.0006699200000000, -0.0105138000000000 ] - [ -0.0836674900000000, 0.0000000000000000, -0.0082928100000000 ] - [ -0.0005564000000000, 0.0000000000000000, -0.0014475100000000 ] - [ -0.0018849200000000, 0.0000000000000000, -0.0016799200000000 ] - [ -0.0009787200000000, 0.0000000000000000, -0.0013144500000000 ] - [ 0.0011826600000000, -0.0000452800000000, -0.0014095200000000 ] - [ 0.0017977000000000, 0.0000321500000000, -0.0014236700000000 ] - [ 0.0011826600000000, 0.0000452800000000, -0.0014095200000000 ] - [ 0.0017977000000000, -0.0000321500000000, -0.0014236700000000 ] - [ -0.0014080100000000, 0.0000000000000000, 0.0014626700000000 ] - [ -0.0014076900000000, 0.0000000000000000, 0.0014276600000000 ] - [ -0.0014860100000000, 0.0000000000000000, 0.0014484100000000 ] - [ -0.0014879200000000, 0.0000000000000000, 0.0014365500000000 ] - [ 0.0019914100000000, -0.0001042800000000, 0.0014738000000000 ] - [ 0.0009822800000000, 0.0007988500000000, 0.0009983500000000 ] - [ 0.0019914100000000, 0.0001042800000000, 0.0014738000000000 ] - [ 0.0009822800000000, -0.0007988500000000, 0.0009983500000000 ] - [ 0.0011693600000000, 0.0000000000000000, 0.0176352300000000 ] - [ -0.0031231200000000, 0.0000000000000000, 0.0104100000000000 ] - [ -0.0054175200000000, 0.0000000000000000, 0.0100649100000000 ] - [ -0.0046907900000000, 0.0000000000000000, 0.0099927900000000 ] - [ -0.0031094400000000, 0.0000000000000000, -0.0027892300000000 ] - [ 0.0441736000000000, 0.0000000000000000, -0.0229876900000000 ] - [ -0.0021795800000000, 0.0000000000000000, -0.0026619600000000 ] - [ -0.0015603400000000, 0.0000000000000000, -0.0019912900000000 ] - [ 0.0169831400000000, 0.0000000000000000, 0.0165653200000000 ] - [ -0.0020850900000000, 0.0000000000000000, 0.0022501100000000 ] - [ 0.0004163400000000, 0.0000000000000000, 0.0030598000000000 ] - [ -0.0007841200000000, 0.0000000000000000, 0.0027326300000000 ] - [ -0.0003606600000000, 0.0006469900000000, -0.0032680200000000 ] - [ -0.0001750000000000, -0.0024826500000000, -0.0012797100000000 ] - [ -0.0003606600000000, -0.0006469900000000, -0.0032680200000000 ] - [ -0.0001750000000000, 0.0024826500000000, -0.0012797100000000 ] - [ -0.0005070000000000, 0.0000000000000000, -0.0027752800000000 ] - [ -0.0004565700000000, 0.0000000000000000, -0.0022894800000000 ] - [ -0.0004000800000000, 0.0000000000000000, -0.0028878000000000 ] - [ -0.0000400700000000, 0.0000000000000000, -0.0027547800000000 ] - [ 0.0007043700000000, 0.0001542800000000, 0.0027081500000000 ] - [ -0.0002115000000000, -0.0000046300000000, 0.0028564100000000 ] - [ 0.0007043700000000, -0.0001542800000000, 0.0027081500000000 ] - [ -0.0002115000000000, 0.0000046300000000, 0.0028564100000000 ] - [ -0.0016100900000000, 0.0000000000000000, 0.0022872000000000 ] - [ -0.0020505900000000, 0.0000000000000000, 0.0024833500000000 ] - [ -0.0017595600000000, 0.0000000000000000, 0.0023812300000000 ] - [ -0.0019791700000000, 0.0000000000000000, 0.0023331100000000 ] - [ 0.0020680000000000, 0.0001877100000000, -0.0023997000000000 ] - [ 0.0017223800000000, -0.0002615400000000, -0.0022532500000000 ] - [ 0.0020680000000000, -0.0001877100000000, -0.0023997000000000 ] - [ 0.0017223800000000, 0.0002615400000000, -0.0022532500000000 ] - [ 0.0031316900000000, 0.0003501100000000, 0.0027278500000000 ] - [ 0.0014524800000000, 0.0000484000000000, 0.0021941000000000 ] - [ 0.0031316900000000, -0.0003501100000000, 0.0027278500000000 ] - [ 0.0014524800000000, -0.0000484000000000, 0.0021941000000000 ] - [ 0.0003547000000000, 0.0000790600000000, 0.0005404700000000 ] - [ -0.0015459600000000, 0.0002097100000000, 0.0004806900000000 ] - [ 0.0003547000000000, -0.0000790600000000, 0.0005404700000000 ] - [ -0.0015459600000000, -0.0002097100000000, 0.0004806900000000 ] - [ -0.0004513200000000, 0.0000000000000000, -0.0005752100000000 ] - [ 0.0016860800000000, 0.0000000000000000, 0.0021363400000000 ] - [ 0.0007064700000000, 0.0000000000000000, -0.0004255300000000 ] - [ 0.0009990300000000, 0.0000000000000000, -0.0002499800000000 ] - [ -0.0007128000000000, 0.0002672200000000, 0.0000774700000000 ] - [ -0.0011917500000000, -0.0002201600000000, -0.0008824600000000 ] - [ -0.0007128000000000, -0.0002672200000000, 0.0000774700000000 ] - [ -0.0011917500000000, 0.0002201600000000, -0.0008824600000000 ] - [ 0.0015063400000000, 0.0000000000000000, -0.0007200900000000 ] - [ 0.0004377500000000, 0.0000000000000000, 0.0004439400000000 ] - [ 0.0009813100000000, 0.0000000000000000, 0.0002716200000000 ] - [ 0.0006020800000000, 0.0000000000000000, 0.0003126400000000 ] - [ 0.0007548800000000, 0.0011574000000000, -0.0008758800000000 ] - [ 0.0001447000000000, -0.0001325000000000, -0.0001859300000000 ] - [ 0.0007548800000000, -0.0011574000000000, -0.0008758800000000 ] - [ 0.0001447000000000, 0.0001325000000000, -0.0001859300000000 ] - [ 0.0023265100000000, 0.0000000000000000, 0.0011329800000000 ] - [ -0.0020067500000000, 0.0000000000000000, 0.0002240700000000 ] - [ -0.0002741100000000, 0.0000000000000000, 0.0005617500000000 ] - [ -0.0006719600000000, 0.0000000000000000, 0.0005100300000000 ] - [ 0.0002994400000000, 0.0000818900000000, 0.0004108200000000 ] - [ 0.0007616300000000, -0.0001501600000000, 0.0005365200000000 ] - [ 0.0002994400000000, -0.0000818900000000, 0.0004108200000000 ] - [ 0.0007616300000000, 0.0001501600000000, 0.0005365200000000 ] - [ -0.0004212300000000, 0.0000000000000000, -0.0007444600000000 ] - [ -0.0008221000000000, 0.0000000000000000, -0.0003636500000000 ] - [ -0.0003427800000000, 0.0000000000000000, -0.0005515000000000 ] - [ -0.0006651000000000, 0.0000000000000000, -0.0004467500000000 ]- atom: 45 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004396600000000, 0.0076440200000000, -0.0011443000000000 ] - [ -0.0000416900000000, 0.0078742400000000, -0.0009619700000000 ] - [ 0.0005238100000000, 0.0076561400000000, -0.0011606000000000 ] - [ -0.0001178600000000, 0.0077596500000000, -0.0010726500000000 ] - [ -0.0016703200000000, 0.0065520600000000, 0.0008213500000000 ] - [ -0.0029607400000000, 0.0125742600000000, -0.0006133600000000 ] - [ -0.0001411000000000, 0.0080582200000000, 0.0010428200000000 ] - [ 0.0005724800000000, 0.0075140200000000, 0.0010605500000000 ] - [ 0.0018485900000000, 0.0083240000000000, -0.0013338500000000 ] - [ -0.0011080700000000, 0.0077805800000000, -0.0010024900000000 ] - [ 0.0002047100000000, 0.0077821000000000, -0.0008011400000000 ] - [ -0.0005259600000000, 0.0076346800000000, -0.0011996300000000 ] - [ 0.0004396600000000, -0.0076440200000000, -0.0011443000000000 ] - [ -0.0000416900000000, -0.0078742400000000, -0.0009619700000000 ] - [ 0.0005238100000000, -0.0076561400000000, -0.0011606000000000 ] - [ -0.0001178600000000, -0.0077596500000000, -0.0010726500000000 ] - [ -0.0002622300000000, -0.0076620400000000, 0.0010659900000000 ] - [ -0.0002235500000000, -0.0078355000000000, 0.0010229200000000 ] - [ -0.0002134200000000, -0.0078418200000000, 0.0009367700000000 ] - [ -0.0004486600000000, -0.0073537100000000, 0.0013604100000000 ] - [ 0.0002047100000000, -0.0077821000000000, -0.0008011400000000 ] - [ -0.0005259600000000, -0.0076346800000000, -0.0011996300000000 ] - [ 0.0018485900000000, -0.0083240000000000, -0.0013338500000000 ] - [ -0.0011080700000000, -0.0077805800000000, -0.0010024900000000 ] - [ -0.0016703200000000, -0.0065520600000000, 0.0008213500000000 ] - [ -0.0029607400000000, -0.0125742600000000, -0.0006133600000000 ] - [ -0.0001411000000000, -0.0080582200000000, 0.0010428200000000 ] - [ 0.0005724800000000, -0.0075140200000000, 0.0010605500000000 ] - [ -0.0002134200000000, 0.0078418200000000, 0.0009367700000000 ] - [ -0.0004486600000000, 0.0073537100000000, 0.0013604100000000 ] - [ -0.0002622300000000, 0.0076620400000000, 0.0010659900000000 ] - [ -0.0002235500000000, 0.0078355000000000, 0.0010229200000000 ] - [ 0.0047189400000000, 0.0000294900000000, 0.0100956900000000 ] - [ 0.0054375300000000, -0.0000280500000000, 0.0100851400000000 ] - [ 0.0047189400000000, -0.0000294900000000, 0.0100956900000000 ] - [ 0.0054375300000000, 0.0000280500000000, 0.0100851400000000 ] - [ -0.0046462100000000, 0.0000000000000000, -0.0092062000000000 ] - [ -0.0053106300000000, 0.0000000000000000, -0.0102909000000000 ] - [ -0.0049256000000000, 0.0000000000000000, -0.0100622600000000 ] - [ -0.0051351100000000, 0.0000000000000000, -0.0100955400000000 ] - [ 0.0044393300000000, 0.0004367200000000, -0.0101808500000000 ] - [ 0.0037211400000000, -0.0006680700000000, -0.0096250600000000 ] - [ 0.0044393300000000, -0.0004367200000000, -0.0101808500000000 ] - [ 0.0037211400000000, 0.0006680700000000, -0.0096250600000000 ] - [ 0.0785595800000000, 0.0000000000000000, 0.0064488800000000 ] - [ -0.0024015200000000, 0.0000000000000000, -0.0013725000000000 ] - [ -0.0010691600000000, 0.0000000000000000, -0.0011383400000000 ] - [ -0.0019797000000000, 0.0000000000000000, -0.0015056000000000 ] - [ 0.0017751600000000, 0.0000446500000000, -0.0014095600000000 ] - [ 0.0011583500000000, -0.0000320700000000, -0.0013951400000000 ] - [ 0.0017751600000000, -0.0000446500000000, -0.0014095600000000 ] - [ 0.0011583500000000, 0.0000320700000000, -0.0013951400000000 ] - [ -0.0015474800000000, 0.0000000000000000, 0.0013554300000000 ] - [ -0.0015474100000000, 0.0000000000000000, 0.0013906500000000 ] - [ -0.0014694800000000, 0.0000000000000000, 0.0013707900000000 ] - [ -0.0014706500000000, 0.0000000000000000, 0.0013828500000000 ] - [ 0.0009656300000000, 0.0001057400000000, 0.0013438300000000 ] - [ 0.0019638000000000, -0.0007968000000000, 0.0018244400000000 ] - [ 0.0009656300000000, -0.0001057400000000, 0.0013438300000000 ] - [ 0.0019638000000000, 0.0007968000000000, 0.0018244400000000 ] - [ -0.0113422600000000, 0.0000000000000000, 0.0024088000000000 ] - [ -0.0069255100000000, 0.0000000000000000, 0.0097288700000000 ] - [ -0.0046277700000000, 0.0000000000000000, 0.0100707200000000 ] - [ -0.0053603900000000, 0.0000000000000000, 0.0101429400000000 ] - [ -0.0006253600000000, 0.0000000000000000, -0.0019274900000000 ] - [ -0.0456772800000000, 0.0000000000000000, 0.0175800600000000 ] - [ -0.0015626500000000, 0.0000000000000000, -0.0020618700000000 ] - [ -0.0021835900000000, 0.0000000000000000, -0.0027300000000000 ] - [ -0.0173750600000000, 0.0000000000000000, -0.0113221400000000 ] - [ 0.0016169000000000, 0.0000000000000000, 0.0033162300000000 ] - [ -0.0008994600000000, 0.0000000000000000, 0.0025063900000000 ] - [ 0.0003171800000000, 0.0000000000000000, 0.0028337600000000 ] - [ 0.0008243200000000, -0.0006537200000000, -0.0022946800000000 ] - [ 0.0006540800000000, 0.0024880100000000, -0.0042784000000000 ] - [ 0.0008243200000000, 0.0006537200000000, -0.0022946800000000 ] - [ 0.0006540800000000, -0.0024880100000000, -0.0042784000000000 ] - [ 0.0000400600000000, 0.0000000000000000, -0.0027918700000000 ] - [ -0.0000134600000000, 0.0000000000000000, -0.0032744000000000 ] - [ -0.0000687200000000, 0.0000000000000000, -0.0026778400000000 ] - [ -0.0004243900000000, 0.0000000000000000, -0.0028120200000000 ] - [ -0.0002336400000000, -0.0001522300000000, 0.0028596000000000 ] - [ 0.0006800300000000, 0.0000046100000000, 0.0027085800000000 ] - [ -0.0002336400000000, 0.0001522300000000, 0.0028596000000000 ] - [ 0.0006800300000000, -0.0000046100000000, 0.0027085800000000 ] - [ -0.0021373200000000, 0.0000000000000000, 0.0024372500000000 ] - [ -0.0016916000000000, 0.0000000000000000, 0.0022465100000000 ] - [ -0.0019858300000000, 0.0000000000000000, 0.0023422700000000 ] - [ -0.0017618500000000, 0.0000000000000000, 0.0023974700000000 ] - [ 0.0016737400000000, -0.0001891400000000, -0.0023228600000000 ] - [ 0.0020220100000000, 0.0002610000000000, -0.0024729800000000 ] - [ 0.0016737400000000, 0.0001891400000000, -0.0023228600000000 ] - [ 0.0020220100000000, -0.0002610000000000, -0.0024729800000000 ] - [ 0.0006231500000000, -0.0003451800000000, 0.0019808400000000 ] - [ 0.0022905400000000, -0.0000493000000000, 0.0025325500000000 ] - [ 0.0006231500000000, 0.0003451800000000, 0.0019808400000000 ] - [ 0.0022905400000000, 0.0000493000000000, 0.0025325500000000 ] - [ -0.0019762900000000, -0.0000719800000000, 0.0001774100000000 ] - [ -0.0000725400000000, -0.0002124700000000, 0.0002272600000000 ] - [ -0.0019762900000000, 0.0000719800000000, 0.0001774100000000 ] - [ -0.0000725400000000, 0.0002124700000000, 0.0002272600000000 ] - [ 0.0020856600000000, 0.0000000000000000, -0.0001298500000000 ] - [ -0.0000543500000000, 0.0000000000000000, -0.0028177800000000 ] - [ 0.0009161800000000, 0.0000000000000000, -0.0002835400000000 ] - [ 0.0006279500000000, 0.0000000000000000, -0.0004611900000000 ] - [ -0.0009137600000000, -0.0002702900000000, -0.0007916700000000 ] - [ -0.0004312800000000, 0.0002186600000000, 0.0001712400000000 ] - [ -0.0009137600000000, 0.0002702900000000, -0.0007916700000000 ] - [ -0.0004312800000000, -0.0002186600000000, 0.0001712400000000 ] - [ 0.0001103300000000, 0.0000000000000000, 0.0014290400000000 ] - [ 0.0011870600000000, 0.0000000000000000, 0.0002672800000000 ] - [ 0.0006393900000000, 0.0000000000000000, 0.0004373700000000 ] - [ 0.0010225800000000, 0.0000000000000000, 0.0003974500000000 ] - [ 0.0002327000000000, -0.0011605800000000, -0.0001046000000000 ] - [ 0.0008509900000000, 0.0001315700000000, -0.0007980100000000 ] - [ 0.0002327000000000, 0.0011605800000000, -0.0001046000000000 ] - [ 0.0008509900000000, -0.0001315700000000, -0.0007980100000000 ] - [ -0.0035658700000000, 0.0000000000000000, -0.0000900500000000 ] - [ 0.0010104400000000, 0.0000000000000000, 0.0007525200000000 ] - [ -0.0007225500000000, 0.0000000000000000, 0.0004215800000000 ] - [ -0.0003167900000000, 0.0000000000000000, 0.0004720300000000 ] - [ 0.0006938700000000, -0.0000823700000000, 0.0005737800000000 ] - [ 0.0002327900000000, 0.0001489600000000, 0.0004470400000000 ] - [ 0.0006938700000000, 0.0000823700000000, 0.0005737800000000 ] - [ 0.0002327900000000, -0.0001489600000000, 0.0004470400000000 ] - [ -0.0005727600000000, 0.0000000000000000, -0.0002424500000000 ] - [ -0.0001700600000000, 0.0000000000000000, -0.0006220300000000 ] - [ -0.0006496300000000, 0.0000000000000000, -0.0004316000000000 ] - [ -0.0003283000000000, 0.0000000000000000, -0.0005384400000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003687000000000, 0.0075690100000000, -0.0011148500000000 ] - [ 0.0002340200000000, 0.0077270800000000, -0.0010849200000000 ] - [ 0.0001547900000000, 0.0079924200000000, -0.0009129000000000 ] - [ 0.0002651300000000, 0.0078088800000000, -0.0010597200000000 ] - [ 0.0002382400000000, 0.0076950100000000, 0.0010716700000000 ] - [ -0.0034141200000000, 0.0087315700000000, 0.0010929400000000 ] - [ 0.0001607900000000, 0.0078657100000000, 0.0010625100000000 ] - [ 0.0009149500000000, 0.0084691800000000, 0.0009767300000000 ] - [ -0.0001889100000000, 0.0094542300000000, -0.0065344600000000 ] - [ -0.0002111200000000, 0.0076747600000000, -0.0010514700000000 ] - [ 0.0001636900000000, 0.0089804200000000, -0.0000789500000000 ] - [ -0.0002772300000000, 0.0078449000000000, -0.0010626100000000 ] - [ 0.0001018100000000, -0.0079503900000000, -0.0010181100000000 ] - [ 0.0002357100000000, -0.0077972400000000, -0.0010478700000000 ] - [ 0.0003173100000000, -0.0075287100000000, -0.0012217000000000 ] - [ 0.0002049300000000, -0.0077147200000000, -0.0010732500000000 ] - [ -0.0002092300000000, -0.0076865500000000, 0.0010878500000000 ] - [ -0.0001756300000000, -0.0076389400000000, 0.0010539900000000 ] - [ -0.0002596700000000, -0.0078299800000000, 0.0010270300000000 ] - [ -0.0001731900000000, -0.0079193700000000, 0.0010084700000000 ] - [ -0.0006390400000000, -0.0065264600000000, -0.0020794600000000 ] - [ -0.0001925700000000, -0.0076777700000000, -0.0010715600000000 ] - [ -0.0002776900000000, -0.0060642700000000, 0.0043913900000000 ] - [ -0.0002593400000000, -0.0078462800000000, -0.0010828900000000 ] - [ 0.0002259100000000, -0.0078238300000000, 0.0010593700000000 ] - [ 0.0039158900000000, -0.0067892600000000, 0.0010627000000000 ] - [ 0.0003104900000000, -0.0076570100000000, 0.0010694400000000 ] - [ -0.0004385300000000, -0.0070565600000000, 0.0011562400000000 ] - [ -0.0002102200000000, 0.0076934000000000, 0.0011061000000000 ] - [ -0.0002973600000000, 0.0076013900000000, 0.0011275900000000 ] - [ -0.0002623300000000, 0.0078380300000000, 0.0010449600000000 ] - [ -0.0002937600000000, 0.0078847900000000, 0.0010800800000000 ] - [ 0.0050215600000000, 0.0000019600000000, 0.0100810000000000 ] - [ 0.0049549200000000, -0.0000432000000000, 0.0100642800000000 ] - [ 0.0050272600000000, 0.0000019900000000, 0.0100521000000000 ] - [ 0.0050951600000000, -0.0000428500000000, 0.0100695000000000 ] - [ -0.0050225900000000, -0.0000227900000000, -0.0100608000000000 ] - [ -0.0050239900000000, -0.0000115000000000, -0.0100666900000000 ] - [ -0.0050239100000000, 0.0002144100000000, -0.0100673600000000 ] - [ -0.0050243200000000, 0.0000024600000000, -0.0100668900000000 ] - [ 0.0045481900000000, 0.0000929200000000, -0.0100999200000000 ] - [ 0.0055506100000000, 0.0001196100000000, -0.0101967800000000 ] - [ 0.0055061400000000, 0.0000907600000000, -0.0100359300000000 ] - [ 0.0044968400000000, 0.0001230400000000, -0.0099369800000000 ] - [ -0.0014329600000000, -0.0159264700000000, -0.0016395400000000 ] - [ -0.0014787400000000, -0.0000440600000000, -0.0014101400000000 ] - [ -0.0014772600000000, 0.0008391500000000, -0.0014101200000000 ] - [ -0.0014776500000000, 0.0000286000000000, -0.0014099100000000 ] - [ 0.0014335400000000, 0.0000261600000000, -0.0014826200000000 ] - [ 0.0015107200000000, 0.0000128300000000, -0.0013867300000000 ] - [ 0.0015237300000000, 0.0000254400000000, -0.0013362300000000 ] - [ 0.0014467700000000, 0.0000132700000000, -0.0014318800000000 ] - [ -0.0014781800000000, -0.0000346700000000, 0.0014098100000000 ] - [ -0.0014764600000000, -0.0000346700000000, 0.0014097200000000 ] - [ -0.0014788400000000, 0.0000342300000000, 0.0014092400000000 ] - [ -0.0014776000000000, 0.0000342200000000, 0.0014094000000000 ] - [ 0.0013742700000000, 0.0000243000000000, 0.0014008900000000 ] - [ 0.0022820600000000, -0.0001703800000000, 0.0012818800000000 ] - [ 0.0015847000000000, 0.0000238200000000, 0.0014188300000000 ] - [ 0.0006865300000000, -0.0001617500000000, 0.0015357500000000 ] - [ -0.0050274900000000, -0.0012950000000000, 0.0100590400000000 ] - [ -0.0050287700000000, -0.0000130400000000, 0.0100669700000000 ] - [ -0.0050257500000000, 0.0003083500000000, 0.0100676400000000 ] - [ -0.0050241200000000, 0.0000564600000000, 0.0100675400000000 ] - [ -0.0018710400000000, 0.0000673400000000, -0.0023574800000000 ] - [ -0.0019879300000000, 0.0040552300000000, -0.0023050900000000 ] - [ -0.0018718100000000, -0.0000960700000000, -0.0023606700000000 ] - [ -0.0018728500000000, -0.0006922600000000, -0.0023595600000000 ] - [ -0.0002221900000000, 0.0079981800000000, 0.0029525900000000 ] - [ -0.0002358600000000, 0.0000955000000000, 0.0027835200000000 ] - [ -0.0002342600000000, -0.0011897300000000, 0.0027814300000000 ] - [ -0.0002383300000000, -0.0001060300000000, 0.0027828500000000 ] - [ 0.0006627500000000, 0.0000565000000000, -0.0028072600000000 ] - [ 0.0001116800000000, -0.0003261400000000, -0.0025320400000000 ] - [ -0.0001960100000000, 0.0000610600000000, -0.0027567200000000 ] - [ 0.0003540300000000, -0.0003335800000000, -0.0030358700000000 ] - [ -0.0002381600000000, 0.0000168000000000, -0.0027828000000000 ] - [ -0.0002406300000000, 0.0000927000000000, -0.0027838200000000 ] - [ -0.0002376300000000, -0.0000237500000000, -0.0027818500000000 ] - [ -0.0002391900000000, -0.0001046700000000, -0.0027814500000000 ] - [ 0.0004446500000000, 0.0001133300000000, 0.0027383500000000 ] - [ 0.0002298700000000, -0.0000036300000000, 0.0027803200000000 ] - [ 0.0000234400000000, 0.0001147200000000, 0.0028254500000000 ] - [ 0.0002469600000000, -0.0000038800000000, 0.0027841500000000 ] - [ -0.0018706200000000, 0.0001325200000000, 0.0023631300000000 ] - [ -0.0018701200000000, 0.0000352700000000, 0.0023657100000000 ] - [ -0.0018703500000000, -0.0002882600000000, 0.0023636500000000 ] - [ -0.0018699000000000, -0.0000182500000000, 0.0023665900000000 ] - [ 0.0019520000000000, -0.0000007900000000, -0.0024147600000000 ] - [ 0.0018307600000000, -0.0000053700000000, -0.0023798500000000 ] - [ 0.0017893900000000, -0.0000013200000000, -0.0023162900000000 ] - [ 0.0019122200000000, -0.0000061800000000, -0.0023490800000000 ] - [ 0.0007653800000000, -0.0014262700000000, 0.0036805300000000 ] - [ 0.0018774200000000, 0.0000003500000000, 0.0023987900000000 ] - [ 0.0029717800000000, -0.0014448200000000, 0.0010652500000000 ] - [ 0.0018657300000000, -0.0000000400000000, 0.0023262500000000 ] - [ -0.0011133900000000, 0.0001557200000000, -0.0005947100000000 ] - [ -0.0008509700000000, 0.0000212700000000, 0.0003427100000000 ] - [ -0.0005092900000000, 0.0000973500000000, 0.0013197700000000 ] - [ -0.0007714500000000, 0.0000217200000000, 0.0003672200000000 ] - [ 0.0008131500000000, 0.0000142700000000, -0.0003547600000000 ] - [ 0.0008130400000000, 0.0005521400000000, -0.0003628600000000 ] - [ 0.0008123600000000, -0.0000369000000000, -0.0003556900000000 ] - [ 0.0008096000000000, -0.0002858100000000, -0.0003557700000000 ] - [ -0.0007774700000000, 0.0000136700000000, -0.0003990000000000 ] - [ -0.0009218600000000, -0.0000342300000000, -0.0005332900000000 ] - [ -0.0008456600000000, 0.0000144600000000, -0.0003122700000000 ] - [ -0.0007017000000000, -0.0000344200000000, -0.0001782500000000 ] - [ 0.0008111100000000, 0.0004019300000000, 0.0003550200000000 ] - [ 0.0008123100000000, 0.0000292300000000, 0.0003550600000000 ] - [ 0.0008144900000000, -0.0001650300000000, 0.0003567500000000 ] - [ 0.0008121500000000, -0.0000478900000000, 0.0003555200000000 ] - [ 0.0009606900000000, -0.0001593200000000, -0.0004807700000000 ] - [ 0.0003427400000000, 0.0000097900000000, -0.0003954900000000 ] - [ 0.0000324200000000, -0.0001619800000000, -0.0005018400000000 ] - [ 0.0006500400000000, 0.0000091200000000, -0.0005878600000000 ] - [ -0.0004744600000000, -0.0003920800000000, 0.0004888600000000 ] - [ -0.0004939800000000, 0.0003750900000000, 0.0004926100000000 ] - [ -0.0004953100000000, -0.0001971300000000, 0.0004906000000000 ] - [ -0.0004965200000000, -0.0002844000000000, 0.0004913200000000 ] - [ 0.0004883700000000, -0.0000036200000000, 0.0004863400000000 ] - [ 0.0003285100000000, -0.0001048100000000, 0.0007825400000000 ] - [ 0.0005050700000000, -0.0000038500000000, 0.0004965000000000 ] - [ 0.0006641100000000, -0.0001068900000000, 0.0002005200000000 ] - [ -0.0004982600000000, 0.0001271400000000, -0.0004972200000000 ] - [ -0.0004957000000000, 0.0000193800000000, -0.0004917300000000 ] - [ -0.0004962000000000, -0.0001946800000000, -0.0004917100000000 ] - [ -0.0004959200000000, -0.0000147500000000, -0.0004914400000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001863700000000, 0.0075884200000000, -0.0005842200000000 ] - [ 0.0002458500000000, 0.0078152300000000, -0.0009896800000000 ] - [ 0.0001338200000000, 0.0080048200000000, -0.0007748100000000 ] - [ 0.0003275100000000, 0.0078018100000000, -0.0009726200000000 ] - [ -0.0001901600000000, 0.0074995200000000, 0.0010235800000000 ] - [ 0.0053801400000000, 0.0043192300000000, -0.0011556100000000 ] - [ 0.0001413000000000, 0.0078050400000000, 0.0010263700000000 ] - [ 0.0008324400000000, 0.0083191900000000, 0.0003308900000000 ] - [ -0.0002410600000000, 0.0037656600000000, 0.0060495000000000 ] - [ -0.0002325400000000, 0.0074768700000000, -0.0011419500000000 ] - [ -0.0000957800000000, 0.0078651900000000, -0.0015172900000000 ] - [ -0.0002696000000000, 0.0077852200000000, -0.0011204100000000 ] - [ 0.0001863700000000, -0.0075884200000000, -0.0005842200000000 ] - [ 0.0002458500000000, -0.0078152300000000, -0.0009896800000000 ] - [ 0.0001338200000000, -0.0080048200000000, -0.0007748100000000 ] - [ 0.0003275100000000, -0.0078018100000000, -0.0009726200000000 ] - [ -0.0001897400000000, -0.0077774800000000, 0.0011579700000000 ] - [ -0.0003846600000000, -0.0077739500000000, 0.0011898800000000 ] - [ -0.0001229100000000, -0.0077278900000000, 0.0012128900000000 ] - [ -0.0004889100000000, -0.0074782500000000, 0.0013920900000000 ] - [ -0.0000957800000000, -0.0078651900000000, -0.0015172900000000 ] - [ -0.0002696000000000, -0.0077852200000000, -0.0011204100000000 ] - [ -0.0002410600000000, -0.0037656600000000, 0.0060495000000000 ] - [ -0.0002325400000000, -0.0074768700000000, -0.0011419500000000 ] - [ -0.0001901600000000, -0.0074995200000000, 0.0010235800000000 ] - [ 0.0053801400000000, -0.0043192300000000, -0.0011556100000000 ] - [ 0.0001413000000000, -0.0078050400000000, 0.0010263700000000 ] - [ 0.0008324400000000, -0.0083191900000000, 0.0003308900000000 ] - [ -0.0001229100000000, 0.0077278900000000, 0.0012128900000000 ] - [ -0.0004889100000000, 0.0074782500000000, 0.0013920900000000 ] - [ -0.0001897400000000, 0.0077774800000000, 0.0011579700000000 ] - [ -0.0003846600000000, 0.0077739500000000, 0.0011898800000000 ] - [ 0.0050317700000000, -0.0000151500000000, 0.0101314000000000 ] - [ 0.0051706900000000, 0.0000577400000000, 0.0107141700000000 ] - [ 0.0050317700000000, 0.0000151500000000, 0.0101314000000000 ] - [ 0.0051706900000000, -0.0000577400000000, 0.0107141700000000 ] - [ -0.0050691000000000, 0.0000000000000000, -0.0090401200000000 ] - [ -0.0049993100000000, 0.0000000000000000, -0.0099117300000000 ] - [ -0.0050774400000000, 0.0000000000000000, -0.0098904000000000 ] - [ -0.0050212400000000, 0.0000000000000000, -0.0100087900000000 ] - [ 0.0047406100000000, 0.0000018000000000, -0.0103680300000000 ] - [ 0.0056939000000000, 0.0004723300000000, -0.0107072400000000 ] - [ 0.0047406100000000, -0.0000018000000000, -0.0103680300000000 ] - [ 0.0056939000000000, -0.0004723300000000, -0.0107072400000000 ] - [ -0.0081940800000000, 0.0000000000000000, -0.1140626000000000 ] - [ -0.0015167000000000, 0.0000000000000000, -0.0014653400000000 ] - [ -0.0017491500000000, 0.0000000000000000, -0.0021664100000000 ] - [ -0.0013818200000000, 0.0000000000000000, -0.0014990600000000 ] - [ 0.0014777500000000, 0.0000741600000000, -0.0010849700000000 ] - [ 0.0014915800000000, -0.0000227300000000, -0.0012804100000000 ] - [ 0.0014777500000000, -0.0000741600000000, -0.0010849700000000 ] - [ 0.0014915800000000, 0.0000227300000000, -0.0012804100000000 ] - [ -0.0014974700000000, 0.0000000000000000, 0.0016057400000000 ] - [ -0.0015310300000000, 0.0000000000000000, 0.0016034500000000 ] - [ -0.0015057100000000, 0.0000000000000000, 0.0015380500000000 ] - [ -0.0015164200000000, 0.0000000000000000, 0.0015369200000000 ] - [ 0.0015421800000000, -0.0000093800000000, 0.0012800500000000 ] - [ 0.0010617100000000, -0.0001282600000000, 0.0008298400000000 ] - [ 0.0015421800000000, 0.0000093800000000, 0.0012800500000000 ] - [ 0.0010617100000000, 0.0001282600000000, 0.0008298400000000 ] - [ -0.0043016700000000, 0.0000000000000000, 0.0096537400000000 ] - [ -0.0056162100000000, 0.0000000000000000, 0.0097311600000000 ] - [ -0.0049209600000000, 0.0000000000000000, 0.0098346000000000 ] - [ -0.0050637000000000, 0.0000000000000000, 0.0099107000000000 ] - [ -0.0016722400000000, 0.0000000000000000, -0.0021958200000000 ] - [ -0.0267892600000000, 0.0000000000000000, 0.0158463600000000 ] - [ -0.0018823900000000, 0.0000000000000000, -0.0022549700000000 ] - [ -0.0014328300000000, 0.0000000000000000, -0.0016005800000000 ] - [ 0.0200079800000000, 0.0000000000000000, 0.0847764700000000 ] - [ 0.0001565000000000, 0.0000000000000000, 0.0030236500000000 ] - [ -0.0007800700000000, 0.0000000000000000, 0.0036992400000000 ] - [ -0.0002991500000000, 0.0000000000000000, 0.0029451300000000 ] - [ 0.0004090600000000, -0.0000183000000000, -0.0025733200000000 ] - [ 0.0004538800000000, -0.0013155300000000, -0.0001371700000000 ] - [ 0.0004090600000000, 0.0000183000000000, -0.0025733200000000 ] - [ 0.0004538800000000, 0.0013155300000000, -0.0001371700000000 ] - [ -0.0002729300000000, 0.0000000000000000, -0.0029985700000000 ] - [ 0.0001227800000000, 0.0000000000000000, -0.0031408300000000 ] - [ -0.0002697000000000, 0.0000000000000000, -0.0029263700000000 ] - [ -0.0001064000000000, 0.0000000000000000, -0.0029588800000000 ] - [ -0.0000002600000000, -0.0002203500000000, 0.0023698500000000 ] - [ 0.0001929000000000, 0.0000277400000000, 0.0026654700000000 ] - [ -0.0000002600000000, 0.0002203500000000, 0.0023698500000000 ] - [ 0.0001929000000000, -0.0000277400000000, 0.0026654700000000 ] - [ -0.0016424300000000, 0.0000000000000000, 0.0020467800000000 ] - [ -0.0018497100000000, 0.0000000000000000, 0.0022667200000000 ] - [ -0.0018284500000000, 0.0000000000000000, 0.0022613100000000 ] - [ -0.0018104000000000, 0.0000000000000000, 0.0022779200000000 ] - [ 0.0018841200000000, 0.0000385400000000, -0.0024839000000000 ] - [ 0.0019338500000000, 0.0001244800000000, -0.0025293800000000 ] - [ 0.0018841200000000, -0.0000385400000000, -0.0024839000000000 ] - [ 0.0019338500000000, -0.0001244800000000, -0.0025293800000000 ] - [ 0.0026863800000000, 0.0012223400000000, 0.0039109800000000 ] - [ 0.0018682200000000, 0.0001063300000000, 0.0024850300000000 ] - [ 0.0026863800000000, -0.0012223400000000, 0.0039109800000000 ] - [ 0.0018682200000000, -0.0001063300000000, 0.0024850300000000 ] - [ -0.0013369000000000, -0.0022873100000000, 0.0000142900000000 ] - [ -0.0007928300000000, -0.0000065600000000, 0.0003633900000000 ] - [ -0.0013369000000000, 0.0022873100000000, 0.0000142900000000 ] - [ -0.0007928300000000, 0.0000065600000000, 0.0003633900000000 ] - [ 0.0007695600000000, 0.0000000000000000, -0.0002253000000000 ] - [ 0.0015824300000000, 0.0000000000000000, -0.0012147700000000 ] - [ 0.0007752200000000, 0.0000000000000000, -0.0003261500000000 ] - [ 0.0010243100000000, 0.0000000000000000, -0.0003766800000000 ] - [ -0.0007199100000000, -0.0000328000000000, -0.0004038300000000 ] - [ -0.0009826500000000, -0.0000587500000000, -0.0007694200000000 ] - [ -0.0007199100000000, 0.0000328000000000, -0.0004038300000000 ] - [ -0.0009826500000000, 0.0000587500000000, -0.0007694200000000 ] - [ 0.0001502700000000, 0.0000000000000000, -0.0005934400000000 ] - [ 0.0008922300000000, 0.0000000000000000, 0.0003201500000000 ] - [ 0.0007096600000000, 0.0000000000000000, 0.0001351600000000 ] - [ 0.0008577300000000, 0.0000000000000000, 0.0003837300000000 ] - [ -0.0001317000000000, 0.0004698900000000, -0.0001784900000000 ] - [ 0.0006081900000000, 0.0001241400000000, -0.0003191000000000 ] - [ -0.0001317000000000, -0.0004698900000000, -0.0001784900000000 ] - [ 0.0006081900000000, -0.0001241400000000, -0.0003191000000000 ] - [ 0.0002476200000000, 0.0000000000000000, 0.0001305800000000 ] - [ -0.0008239300000000, 0.0000000000000000, 0.0008880200000000 ] - [ -0.0005016400000000, 0.0000000000000000, 0.0005697900000000 ] - [ -0.0006467600000000, 0.0000000000000000, 0.0005263400000000 ] - [ 0.0004649500000000, 0.0000307500000000, 0.0004549900000000 ] - [ 0.0007117600000000, 0.0002886300000000, -0.0000552600000000 ] - [ 0.0004649500000000, -0.0000307500000000, 0.0004549900000000 ] - [ 0.0007117600000000, -0.0002886300000000, -0.0000552600000000 ] - [ -0.0011468800000000, 0.0000000000000000, -0.0017915300000000 ] - [ -0.0004980400000000, 0.0000000000000000, -0.0005600500000000 ] - [ -0.0005529200000000, 0.0000000000000000, -0.0006746400000000 ] - [ -0.0005108300000000, 0.0000000000000000, -0.0005397200000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002813000000000, 0.0079294700000000, -0.0015420400000000 ] - [ 0.0002210100000000, 0.0077095100000000, -0.0011445800000000 ] - [ 0.0003331500000000, 0.0075229100000000, -0.0013598500000000 ] - [ 0.0001386400000000, 0.0077215100000000, -0.0011632600000000 ] - [ 0.0006527100000000, 0.0080215100000000, 0.0011102900000000 ] - [ -0.0049392600000000, 0.0112107000000000, 0.0032716600000000 ] - [ 0.0003260500000000, 0.0077186100000000, 0.0011090100000000 ] - [ -0.0003589000000000, 0.0072072900000000, 0.0017977700000000 ] - [ -0.0002190100000000, 0.0118420600000000, -0.0083324900000000 ] - [ -0.0002350400000000, 0.0080463500000000, -0.0009946600000000 ] - [ -0.0003715600000000, 0.0076666100000000, -0.0006099000000000 ] - [ -0.0001990500000000, 0.0077392400000000, -0.0010153900000000 ] - [ 0.0002813000000000, -0.0079294700000000, -0.0015420400000000 ] - [ 0.0002210100000000, -0.0077095100000000, -0.0011445800000000 ] - [ 0.0003331500000000, -0.0075229100000000, -0.0013598500000000 ] - [ 0.0001386400000000, -0.0077215100000000, -0.0011632600000000 ] - [ -0.0002785900000000, -0.0077453900000000, 0.0009780600000000 ] - [ -0.0000822200000000, -0.0077504400000000, 0.0009463500000000 ] - [ -0.0003464100000000, -0.0077965500000000, 0.0009234100000000 ] - [ 0.0000210400000000, -0.0080446900000000, 0.0007449200000000 ] - [ -0.0003715600000000, -0.0076666100000000, -0.0006099000000000 ] - [ -0.0001990500000000, -0.0077392400000000, -0.0010153900000000 ] - [ -0.0002190100000000, -0.0118420600000000, -0.0083324900000000 ] - [ -0.0002350400000000, -0.0080463500000000, -0.0009946600000000 ] - [ 0.0006527100000000, -0.0080215100000000, 0.0011102900000000 ] - [ -0.0049392600000000, -0.0112107000000000, 0.0032716600000000 ] - [ 0.0003260500000000, -0.0077186100000000, 0.0011090100000000 ] - [ -0.0003589000000000, -0.0072072900000000, 0.0017977700000000 ] - [ -0.0003464100000000, 0.0077965500000000, 0.0009234100000000 ] - [ 0.0000210400000000, 0.0080446900000000, 0.0007449200000000 ] - [ -0.0002785900000000, 0.0077453900000000, 0.0009780600000000 ] - [ -0.0000822200000000, 0.0077504400000000, 0.0009463500000000 ] - [ 0.0050211300000000, 0.0000152400000000, 0.0100017200000000 ] - [ 0.0048831800000000, -0.0000562800000000, 0.0094186600000000 ] - [ 0.0050211300000000, -0.0000152400000000, 0.0100017200000000 ] - [ 0.0048831800000000, 0.0000562800000000, 0.0094186600000000 ] - [ -0.0049817800000000, 0.0000000000000000, -0.0110816300000000 ] - [ -0.0050540700000000, 0.0000000000000000, -0.0102177100000000 ] - [ -0.0049763300000000, 0.0000000000000000, -0.0102416100000000 ] - [ -0.0050316100000000, 0.0000000000000000, -0.0101233000000000 ] - [ 0.0053122000000000, -0.0000024200000000, -0.0097686200000000 ] - [ 0.0043597600000000, -0.0004734100000000, -0.0094281900000000 ] - [ 0.0053122000000000, 0.0000024200000000, -0.0097686200000000 ] - [ 0.0043597600000000, 0.0004734100000000, -0.0094281900000000 ] - [ 0.0065879500000000, 0.0000000000000000, 0.1153562400000000 ] - [ -0.0014413500000000, 0.0000000000000000, -0.0013530000000000 ] - [ -0.0012070300000000, 0.0000000000000000, -0.0006532400000000 ] - [ -0.0015747000000000, 0.0000000000000000, -0.0013186800000000 ] - [ 0.0014785200000000, -0.0000723100000000, -0.0017290500000000 ] - [ 0.0014642200000000, 0.0000224000000000, -0.0015359400000000 ] - [ 0.0014785200000000, 0.0000723100000000, -0.0017290500000000 ] - [ 0.0014642200000000, -0.0000224000000000, -0.0015359400000000 ] - [ -0.0014621800000000, 0.0000000000000000, 0.0012147100000000 ] - [ -0.0014234800000000, 0.0000000000000000, 0.0012133700000000 ] - [ -0.0014521400000000, 0.0000000000000000, 0.0012803900000000 ] - [ -0.0014383700000000, 0.0000000000000000, 0.0012795900000000 ] - [ 0.0014135000000000, 0.0000086400000000, 0.0015365000000000 ] - [ 0.0018893800000000, 0.0001253100000000, 0.0019896600000000 ] - [ 0.0014135000000000, -0.0000086400000000, 0.0015365000000000 ] - [ 0.0018893800000000, -0.0001253100000000, 0.0019896600000000 ] - [ -0.0057542800000000, 0.0000000000000000, 0.0104654200000000 ] - [ -0.0044429500000000, 0.0000000000000000, 0.0104039500000000 ] - [ -0.0051320700000000, 0.0000000000000000, 0.0102999800000000 ] - [ -0.0049903900000000, 0.0000000000000000, 0.0102238400000000 ] - [ -0.0020688100000000, 0.0000000000000000, -0.0025207800000000 ] - [ 0.0232673800000000, 0.0000000000000000, -0.0205038400000000 ] - [ -0.0018610200000000, 0.0000000000000000, -0.0024660300000000 ] - [ -0.0023135600000000, 0.0000000000000000, -0.0031096700000000 ] - [ -0.0220386100000000, 0.0000000000000000, -0.0830192000000000 ] - [ -0.0006200900000000, 0.0000000000000000, 0.0025473100000000 ] - [ 0.0003148200000000, 0.0000000000000000, 0.0018738500000000 ] - [ -0.0001756600000000, 0.0000000000000000, 0.0026243100000000 ] - [ 0.0000595300000000, 0.0000173600000000, -0.0029919000000000 ] - [ 0.0000197800000000, 0.0013290700000000, -0.0054309200000000 ] - [ 0.0000595300000000, -0.0000173600000000, -0.0029919000000000 ] - [ 0.0000197800000000, -0.0013290700000000, -0.0054309200000000 ] - [ -0.0001921900000000, 0.0000000000000000, -0.0025710800000000 ] - [ -0.0005889300000000, 0.0000000000000000, -0.0024255400000000 ] - [ -0.0001962900000000, 0.0000000000000000, -0.0026413400000000 ] - [ -0.0003634600000000, 0.0000000000000000, -0.0026074000000000 ] - [ 0.0004617000000000, 0.0002163600000000, 0.0031943700000000 ] - [ 0.0002785200000000, -0.0000276500000000, 0.0029008600000000 ] - [ 0.0004617000000000, -0.0002163600000000, 0.0031943700000000 ] - [ 0.0002785200000000, 0.0000276500000000, 0.0029008600000000 ] - [ -0.0020975200000000, 0.0000000000000000, 0.0026727500000000 ] - [ -0.0018963200000000, 0.0000000000000000, 0.0024493200000000 ] - [ -0.0019134200000000, 0.0000000000000000, 0.0024648600000000 ] - [ -0.0019357900000000, 0.0000000000000000, 0.0024412600000000 ] - [ 0.0018628800000000, -0.0000384500000000, -0.0022424400000000 ] - [ 0.0018106400000000, -0.0001231200000000, -0.0021918200000000 ] - [ 0.0018628800000000, 0.0000384500000000, -0.0022424400000000 ] - [ 0.0018106400000000, 0.0001231200000000, -0.0021918200000000 ] - [ 0.0010565300000000, -0.0012189700000000, 0.0007840600000000 ] - [ 0.0018764600000000, -0.0001054000000000, 0.0022381200000000 ] - [ 0.0010565300000000, 0.0012189700000000, 0.0007840600000000 ] - [ 0.0018764600000000, 0.0001054000000000, 0.0022381200000000 ] - [ -0.0002962800000000, 0.0022700000000000, 0.0007067200000000 ] - [ -0.0008285700000000, 0.0000069800000000, 0.0003457100000000 ] - [ -0.0002962800000000, -0.0022700000000000, 0.0007067200000000 ] - [ -0.0008285700000000, -0.0000069800000000, 0.0003457100000000 ] - [ 0.0008512500000000, 0.0000000000000000, -0.0004829400000000 ] - [ 0.0000362100000000, 0.0000000000000000, 0.0004922700000000 ] - [ 0.0008482900000000, 0.0000000000000000, -0.0003832500000000 ] - [ 0.0005993300000000, 0.0000000000000000, -0.0003329400000000 ] - [ -0.0009008600000000, 0.0000324500000000, -0.0003046100000000 ] - [ -0.0006396800000000, 0.0000592500000000, 0.0000617300000000 ] - [ -0.0009008600000000, -0.0000324500000000, -0.0003046100000000 ] - [ -0.0006396800000000, -0.0000592500000000, 0.0000617300000000 ] - [ 0.0014814700000000, 0.0000000000000000, 0.0012990100000000 ] - [ 0.0007306300000000, 0.0000000000000000, 0.0003879600000000 ] - [ 0.0009124800000000, 0.0000000000000000, 0.0005720800000000 ] - [ 0.0007650200000000, 0.0000000000000000, 0.0003252900000000 ] - [ 0.0011287400000000, -0.0004677500000000, -0.0008067000000000 ] - [ 0.0003867700000000, -0.0001229900000000, -0.0006645500000000 ] - [ 0.0011287400000000, 0.0004677500000000, -0.0008067000000000 ] - [ 0.0003867700000000, 0.0001229900000000, -0.0006645500000000 ] - [ -0.0011858700000000, 0.0000000000000000, 0.0008373700000000 ] - [ -0.0001645400000000, 0.0000000000000000, 0.0000948000000000 ] - [ -0.0004913700000000, 0.0000000000000000, 0.0004145800000000 ] - [ -0.0003475000000000, 0.0000000000000000, 0.0004566200000000 ] - [ 0.0005296200000000, -0.0000301700000000, 0.0005292900000000 ] - [ 0.0002776600000000, -0.0002906200000000, 0.0010436900000000 ] - [ 0.0005296200000000, 0.0000301700000000, 0.0005292900000000 ] - [ 0.0002776600000000, 0.0002906200000000, 0.0010436900000000 ] - [ 0.0001390000000000, 0.0000000000000000, 0.0007899700000000 ] - [ -0.0004940900000000, 0.0000000000000000, -0.0004243200000000 ] - [ -0.0004426700000000, 0.0000000000000000, -0.0003106800000000 ] - [ -0.0004817400000000, 0.0000000000000000, -0.0004442200000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000021200000000, 0.0079169000000000, -0.0011221400000000 ] - [ 0.0005312300000000, 0.0074930100000000, -0.0010485000000000 ] - [ 0.0000224300000000, 0.0076983300000000, -0.0011419700000000 ] - [ 0.0003524800000000, 0.0077657500000000, -0.0011664900000000 ] - [ 0.0063243000000000, 0.0007559000000000, 0.0096200700000000 ] - [ -0.0004210400000000, 0.0075201100000000, 0.0009415300000000 ] - [ 0.0009344400000000, 0.0067104300000000, 0.0016559900000000 ] - [ -0.0000630900000000, 0.0079012600000000, 0.0010698800000000 ] - [ -0.0008339000000000, 0.0076543600000000, -0.0009727000000000 ] - [ 0.0005443500000000, 0.0091388000000000, -0.0030231000000000 ] - [ -0.0004018300000000, 0.0077258500000000, -0.0011056600000000 ] - [ -0.0000623900000000, 0.0072968100000000, -0.0013497200000000 ] - [ -0.0000021200000000, -0.0079169000000000, -0.0011221400000000 ] - [ 0.0005312300000000, -0.0074930100000000, -0.0010485000000000 ] - [ 0.0000224300000000, -0.0076983300000000, -0.0011419700000000 ] - [ 0.0003524800000000, -0.0077657500000000, -0.0011664900000000 ] - [ -0.0001226900000000, -0.0077945200000000, 0.0010441600000000 ] - [ -0.0003566800000000, -0.0077135200000000, 0.0010396000000000 ] - [ -0.0001550800000000, -0.0075746000000000, 0.0011242400000000 ] - [ -0.0003643100000000, -0.0077839500000000, 0.0009922200000000 ] - [ -0.0004018300000000, -0.0077258500000000, -0.0011056600000000 ] - [ -0.0000623900000000, -0.0072968100000000, -0.0013497200000000 ] - [ -0.0008339000000000, -0.0076543600000000, -0.0009727000000000 ] - [ 0.0005443500000000, -0.0091388000000000, -0.0030231000000000 ] - [ 0.0063243000000000, -0.0007559000000000, 0.0096200700000000 ] - [ -0.0004210400000000, -0.0075201100000000, 0.0009415300000000 ] - [ 0.0009344400000000, -0.0067104300000000, 0.0016559900000000 ] - [ -0.0000630900000000, -0.0079012600000000, 0.0010698800000000 ] - [ -0.0001550800000000, 0.0075746000000000, 0.0011242400000000 ] - [ -0.0003643100000000, 0.0077839500000000, 0.0009922200000000 ] - [ -0.0001226900000000, 0.0077945200000000, 0.0010441600000000 ] - [ -0.0003566800000000, 0.0077135200000000, 0.0010396000000000 ] - [ 0.0054599200000000, -0.0000183600000000, 0.0099851600000000 ] - [ 0.0047943500000000, -0.0000275300000000, 0.0100488400000000 ] - [ 0.0054599200000000, 0.0000183600000000, 0.0099851600000000 ] - [ 0.0047943500000000, 0.0000275300000000, 0.0100488400000000 ] - [ -0.0052753300000000, 0.0000000000000000, -0.0101522800000000 ] - [ -0.0046458000000000, 0.0000000000000000, -0.0100336900000000 ] - [ -0.0051705400000000, 0.0000000000000000, -0.0100850500000000 ] - [ -0.0048446500000000, 0.0000000000000000, -0.0101413500000000 ] - [ 0.0048064300000000, -0.0005502200000000, -0.0101465000000000 ] - [ 0.0044689300000000, 0.0002515900000000, -0.0101339700000000 ] - [ 0.0048064300000000, 0.0005502200000000, -0.0101465000000000 ] - [ 0.0044689300000000, -0.0002515900000000, -0.0101339700000000 ] - [ -0.0027258000000000, 0.0000000000000000, -0.0012057200000000 ] - [ 0.0423160100000000, 0.0000000000000000, -0.0260455100000000 ] - [ -0.0017864100000000, 0.0000000000000000, -0.0014151300000000 ] - [ -0.0011732100000000, 0.0000000000000000, -0.0009641600000000 ] - [ 0.0013284600000000, -0.0000402000000000, -0.0014648700000000 ] - [ 0.0016766000000000, 0.0000811200000000, -0.0014151200000000 ] - [ 0.0013284600000000, 0.0000402000000000, -0.0014648700000000 ] - [ 0.0016766000000000, -0.0000811200000000, -0.0014151200000000 ] - [ -0.0012170000000000, 0.0000000000000000, 0.0011784500000000 ] - [ -0.0016568600000000, 0.0000000000000000, 0.0013813000000000 ] - [ -0.0013676900000000, 0.0000000000000000, 0.0013628800000000 ] - [ -0.0015896400000000, 0.0000000000000000, 0.0013417800000000 ] - [ 0.0027327400000000, -0.0010994300000000, 0.0022138900000000 ] - [ 0.0010557900000000, 0.0000049300000000, 0.0014001400000000 ] - [ 0.0027327400000000, 0.0010994300000000, 0.0022138900000000 ] - [ 0.0010557900000000, -0.0000049300000000, 0.0014001400000000 ] - [ -0.0068405400000000, 0.0000000000000000, 0.0100634400000000 ] - [ -0.0074993000000000, 0.0000000000000000, 0.0073914600000000 ] - [ -0.0052517800000000, 0.0000000000000000, 0.0101241800000000 ] - [ -0.0048684800000000, 0.0000000000000000, 0.0101453400000000 ] - [ -0.0710742400000000, 0.0000000000000000, -0.0011171200000000 ] - [ -0.0011119300000000, 0.0000000000000000, -0.0021410600000000 ] - [ -0.0027095900000000, 0.0000000000000000, -0.0033399800000000 ] - [ -0.0016675200000000, 0.0000000000000000, -0.0022165800000000 ] - [ 0.0015987600000000, 0.0000000000000000, 0.0029690200000000 ] - [ 0.0072931300000000, 0.0000000000000000, 0.0196536200000000 ] - [ 0.0001039400000000, 0.0000000000000000, 0.0028038800000000 ] - [ -0.0000544500000000, 0.0000000000000000, 0.0021699600000000 ] - [ 0.0028220400000000, 0.0044429600000000, -0.0037402300000000 ] - [ 0.0009464900000000, -0.0000603100000000, -0.0026113000000000 ] - [ 0.0028220400000000, -0.0044429600000000, -0.0037402300000000 ] - [ 0.0009464900000000, 0.0000603100000000, -0.0026113000000000 ] - [ -0.0006596000000000, 0.0000000000000000, -0.0026575700000000 ] - [ 0.0000874900000000, 0.0000000000000000, -0.0027954200000000 ] - [ -0.0005137200000000, 0.0000000000000000, -0.0027568700000000 ] - [ -0.0000183000000000, 0.0000000000000000, -0.0027218400000000 ] - [ 0.0005744100000000, 0.0001337800000000, 0.0028473300000000 ] - [ -0.0003410300000000, -0.0002836000000000, 0.0027775700000000 ] - [ 0.0005744100000000, -0.0001337800000000, 0.0028473300000000 ] - [ -0.0003410300000000, 0.0002836000000000, 0.0027775700000000 ] - [ -0.0018230000000000, 0.0000000000000000, 0.0023655100000000 ] - [ -0.0018221700000000, 0.0000000000000000, 0.0023408300000000 ] - [ -0.0018632900000000, 0.0000000000000000, 0.0024256400000000 ] - [ -0.0018585000000000, 0.0000000000000000, 0.0023501300000000 ] - [ 0.0019004400000000, 0.0001144500000000, -0.0022736200000000 ] - [ 0.0018726500000000, -0.0000724200000000, -0.0023673400000000 ] - [ 0.0019004400000000, -0.0001144500000000, -0.0022736200000000 ] - [ 0.0018726500000000, 0.0000724200000000, -0.0023673400000000 ] - [ 0.0021591500000000, 0.0000945400000000, 0.0024626500000000 ] - [ -0.0003655900000000, -0.0017297400000000, 0.0030019600000000 ] - [ 0.0021591500000000, -0.0000945400000000, 0.0024626500000000 ] - [ -0.0003655900000000, 0.0017297400000000, 0.0030019600000000 ] - [ -0.0004488300000000, -0.0000177500000000, 0.0003094800000000 ] - [ -0.0030274700000000, -0.0011376900000000, -0.0005012800000000 ] - [ -0.0004488300000000, 0.0000177500000000, 0.0003094800000000 ] - [ -0.0030274700000000, 0.0011376900000000, -0.0005012800000000 ] - [ -0.0004062200000000, 0.0000000000000000, -0.0046491700000000 ] - [ 0.0014694000000000, 0.0000000000000000, -0.0003327000000000 ] - [ 0.0003673900000000, 0.0000000000000000, -0.0005531400000000 ] - [ 0.0009597200000000, 0.0000000000000000, -0.0003680500000000 ] - [ -0.0002468000000000, 0.0004416200000000, 0.0002378000000000 ] - [ -0.0007192100000000, -0.0001153900000000, -0.0004976800000000 ] - [ -0.0002468000000000, -0.0004416200000000, 0.0002378000000000 ] - [ -0.0007192100000000, 0.0001153900000000, -0.0004976800000000 ] - [ 0.0009015900000000, 0.0000000000000000, 0.0001185000000000 ] - [ 0.0009323900000000, 0.0000000000000000, 0.0012074700000000 ] - [ 0.0009021100000000, 0.0000000000000000, 0.0003438100000000 ] - [ 0.0008596400000000, 0.0000000000000000, 0.0005374400000000 ] - [ 0.0007246300000000, 0.0002662500000000, -0.0007178600000000 ] - [ 0.0007737000000000, -0.0006306600000000, -0.0003989700000000 ] - [ 0.0007246300000000, -0.0002662500000000, -0.0007178600000000 ] - [ 0.0007737000000000, 0.0006306600000000, -0.0003989700000000 ] - [ 0.0041307700000000, 0.0000000000000000, 0.0015806000000000 ] - [ 0.0034834700000000, 0.0000000000000000, -0.0008947200000000 ] - [ -0.0002946000000000, 0.0000000000000000, 0.0004630100000000 ] - [ -0.0005484400000000, 0.0000000000000000, 0.0004160600000000 ] - [ 0.0001748400000000, -0.0000811000000000, 0.0006627300000000 ] - [ 0.0006727400000000, -0.0000087000000000, 0.0005243000000000 ] - [ 0.0001748400000000, 0.0000811000000000, 0.0006627300000000 ] - [ 0.0006727400000000, 0.0000087000000000, 0.0005243000000000 ] - [ -0.0002652400000000, 0.0000000000000000, -0.0004932800000000 ] - [ -0.0012088000000000, 0.0000000000000000, -0.0002980800000000 ] - [ -0.0003396400000000, 0.0000000000000000, -0.0004856600000000 ] - [ -0.0006965200000000, 0.0000000000000000, -0.0003913000000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004740900000000, 0.0076174200000000, -0.0010136500000000 ] - [ -0.0000600800000000, 0.0080344100000000, -0.0010942700000000 ] - [ 0.0004550300000000, 0.0078327000000000, -0.0009946400000000 ] - [ 0.0001204100000000, 0.0077555700000000, -0.0009785800000000 ] - [ -0.0059223700000000, 0.0147383600000000, -0.0074884700000000 ] - [ 0.0008896300000000, 0.0080048900000000, 0.0011961400000000 ] - [ -0.0004718100000000, 0.0088268300000000, 0.0004757600000000 ] - [ 0.0005353700000000, 0.0076252600000000, 0.0010698200000000 ] - [ 0.0003638600000000, 0.0078763200000000, -0.0011630800000000 ] - [ -0.0010374200000000, 0.0063937400000000, 0.0008971200000000 ] - [ -0.0000658000000000, 0.0078059300000000, -0.0010300900000000 ] - [ -0.0004082800000000, 0.0082331200000000, -0.0007890000000000 ] - [ 0.0004740900000000, -0.0076174200000000, -0.0010136500000000 ] - [ -0.0000600800000000, -0.0080344100000000, -0.0010942700000000 ] - [ 0.0004550300000000, -0.0078327000000000, -0.0009946400000000 ] - [ 0.0001204100000000, -0.0077555700000000, -0.0009785800000000 ] - [ -0.0003481900000000, -0.0077306700000000, 0.0010989300000000 ] - [ -0.0001122200000000, -0.0078144100000000, 0.0010998500000000 ] - [ -0.0003189600000000, -0.0079440400000000, 0.0010214900000000 ] - [ -0.0001047700000000, -0.0077437800000000, 0.0011476700000000 ] - [ -0.0000658000000000, -0.0078059300000000, -0.0010300900000000 ] - [ -0.0004082800000000, -0.0082331200000000, -0.0007890000000000 ] - [ 0.0003638600000000, -0.0078763200000000, -0.0011630800000000 ] - [ -0.0010374200000000, -0.0063937400000000, 0.0008971200000000 ] - [ -0.0059223700000000, -0.0147383600000000, -0.0074884700000000 ] - [ 0.0008896300000000, -0.0080048900000000, 0.0011961400000000 ] - [ -0.0004718100000000, -0.0088268300000000, 0.0004757600000000 ] - [ 0.0005353700000000, -0.0076252600000000, 0.0010698200000000 ] - [ -0.0003189600000000, 0.0079440400000000, 0.0010214900000000 ] - [ -0.0001047700000000, 0.0077437800000000, 0.0011476700000000 ] - [ -0.0003481900000000, 0.0077306700000000, 0.0010989300000000 ] - [ -0.0001122200000000, 0.0078144100000000, 0.0010998500000000 ] - [ 0.0045779100000000, 0.0000183000000000, 0.0101513800000000 ] - [ 0.0052477600000000, 0.0000269500000000, 0.0100882600000000 ] - [ 0.0045779100000000, -0.0000183000000000, 0.0101513800000000 ] - [ 0.0052477600000000, -0.0000269500000000, 0.0100882600000000 ] - [ -0.0047647200000000, 0.0000000000000000, -0.0099838400000000 ] - [ -0.0053902200000000, 0.0000000000000000, -0.0100946700000000 ] - [ -0.0048678500000000, 0.0000000000000000, -0.0100507400000000 ] - [ -0.0051955200000000, 0.0000000000000000, -0.0099941800000000 ] - [ 0.0052420000000000, 0.0005473200000000, -0.0099948800000000 ] - [ 0.0055773200000000, -0.0002527500000000, -0.0100033200000000 ] - [ 0.0052420000000000, -0.0005473200000000, -0.0099948800000000 ] - [ 0.0055773200000000, 0.0002527500000000, -0.0100033200000000 ] - [ -0.0002402500000000, 0.0000000000000000, -0.0016025600000000 ] - [ -0.0475331900000000, 0.0000000000000000, 0.0240207500000000 ] - [ -0.0011721600000000, 0.0000000000000000, -0.0013942900000000 ] - [ -0.0017917900000000, 0.0000000000000000, -0.0018433100000000 ] - [ 0.0016341300000000, 0.0000398700000000, -0.0013414500000000 ] - [ 0.0012817800000000, -0.0000814900000000, -0.0013932800000000 ] - [ 0.0016341300000000, -0.0000398700000000, -0.0013414500000000 ] - [ 0.0012817800000000, 0.0000814900000000, -0.0013932800000000 ] - [ -0.0017403700000000, 0.0000000000000000, 0.0016320000000000 ] - [ -0.0013012700000000, 0.0000000000000000, 0.0014259400000000 ] - [ -0.0015919500000000, 0.0000000000000000, 0.0014489900000000 ] - [ -0.0013718500000000, 0.0000000000000000, 0.0014658000000000 ] - [ 0.0002205600000000, 0.0011075800000000, 0.0005860800000000 ] - [ 0.0018991300000000, -0.0000056000000000, 0.0014085700000000 ] - [ 0.0002205600000000, -0.0011075800000000, 0.0005860800000000 ] - [ 0.0018991300000000, 0.0000056000000000, 0.0014085700000000 ] - [ -0.0032187300000000, 0.0000000000000000, 0.0100682800000000 ] - [ -0.0025563300000000, 0.0000000000000000, 0.0127469500000000 ] - [ -0.0047860300000000, 0.0000000000000000, 0.0100124700000000 ] - [ -0.0051720200000000, 0.0000000000000000, 0.0099926700000000 ] - [ 0.0698530100000000, 0.0000000000000000, -0.0043394600000000 ] - [ -0.0026252400000000, 0.0000000000000000, -0.0025896200000000 ] - [ -0.0010268400000000, 0.0000000000000000, -0.0013701200000000 ] - [ -0.0020746600000000, 0.0000000000000000, -0.0025088500000000 ] - [ -0.0020449200000000, 0.0000000000000000, 0.0025999000000000 ] - [ -0.0079032600000000, 0.0000000000000000, -0.0142619200000000 ] - [ -0.0005745800000000, 0.0000000000000000, 0.0027607200000000 ] - [ -0.0004245800000000, 0.0000000000000000, 0.0033931000000000 ] - [ -0.0023873400000000, -0.0044672700000000, -0.0017788900000000 ] - [ -0.0004744700000000, 0.0000585300000000, -0.0029516000000000 ] - [ -0.0023873400000000, 0.0044672700000000, -0.0017788900000000 ] - [ -0.0004744700000000, -0.0000585300000000, -0.0029516000000000 ] - [ 0.0001996000000000, 0.0000000000000000, -0.0029076300000000 ] - [ -0.0005545400000000, 0.0000000000000000, -0.0027683000000000 ] - [ 0.0000482300000000, 0.0000000000000000, -0.0028062800000000 ] - [ -0.0004507400000000, 0.0000000000000000, -0.0028406500000000 ] - [ -0.0001068100000000, -0.0001314200000000, 0.0027136300000000 ] - [ 0.0008119100000000, 0.0002844300000000, 0.0027878700000000 ] - [ -0.0001068100000000, 0.0001314200000000, 0.0027136300000000 ] - [ 0.0008119100000000, -0.0002844300000000, 0.0027878700000000 ] - [ -0.0019190200000000, 0.0000000000000000, 0.0023468400000000 ] - [ -0.0019206100000000, 0.0000000000000000, 0.0023935700000000 ] - [ -0.0018778800000000, 0.0000000000000000, 0.0022880200000000 ] - [ -0.0018778500000000, 0.0000000000000000, 0.0023881200000000 ] - [ 0.0018385300000000, -0.0001124100000000, -0.0024503500000000 ] - [ 0.0018700300000000, 0.0000731600000000, -0.0023613200000000 ] - [ 0.0018385300000000, 0.0001124100000000, -0.0024503500000000 ] - [ 0.0018700300000000, -0.0000731600000000, -0.0023613200000000 ] - [ 0.0015864800000000, -0.0000916500000000, 0.0022607800000000 ] - [ 0.0041400800000000, 0.0017248800000000, 0.0017058400000000 ] - [ 0.0015864800000000, 0.0000916500000000, 0.0022607800000000 ] - [ 0.0041400800000000, -0.0017248800000000, 0.0017058400000000 ] - [ -0.0011728700000000, 0.0000170400000000, 0.0004024100000000 ] - [ 0.0014235800000000, 0.0011462100000000, 0.0012202400000000 ] - [ -0.0011728700000000, -0.0000170400000000, 0.0004024100000000 ] - [ 0.0014235800000000, -0.0011462100000000, 0.0012202400000000 ] - [ 0.0019965300000000, 0.0000000000000000, 0.0039722000000000 ] - [ 0.0001531900000000, 0.0000000000000000, -0.0003786800000000 ] - [ 0.0012569400000000, 0.0000000000000000, -0.0001559000000000 ] - [ 0.0006619400000000, 0.0000000000000000, -0.0003438700000000 ] - [ -0.0013877700000000, -0.0004473400000000, -0.0009625100000000 ] - [ -0.0009016600000000, 0.0001148800000000, -0.0002150600000000 ] - [ -0.0013877700000000, 0.0004473400000000, -0.0009625100000000 ] - [ -0.0009016600000000, -0.0001148800000000, -0.0002150600000000 ] - [ 0.0007189800000000, 0.0000000000000000, 0.0005914800000000 ] - [ 0.0006872100000000, 0.0000000000000000, -0.0004966300000000 ] - [ 0.0007186600000000, 0.0000000000000000, 0.0003687400000000 ] - [ 0.0007624800000000, 0.0000000000000000, 0.0001763400000000 ] - [ 0.0002676900000000, -0.0002619200000000, -0.0002644200000000 ] - [ 0.0002198000000000, 0.0006314800000000, -0.0005870000000000 ] - [ 0.0002676900000000, 0.0002619200000000, -0.0002644200000000 ] - [ 0.0002198000000000, -0.0006314800000000, -0.0005870000000000 ] - [ -0.0050810900000000, 0.0000000000000000, -0.0005755500000000 ] - [ -0.0044813400000000, 0.0000000000000000, 0.0018852200000000 ] - [ -0.0007001200000000, 0.0000000000000000, 0.0005226000000000 ] - [ -0.0004435000000000, 0.0000000000000000, 0.0005679100000000 ] - [ 0.0008194100000000, 0.0000842100000000, 0.0003220200000000 ] - [ 0.0003199500000000, 0.0000091200000000, 0.0004603300000000 ] - [ 0.0008194100000000, -0.0000842100000000, 0.0003220200000000 ] - [ 0.0003199500000000, -0.0000091200000000, 0.0004603300000000 ] - [ -0.0007277000000000, 0.0000000000000000, -0.0004918000000000 ] - [ 0.0002219700000000, 0.0000000000000000, -0.0006918500000000 ] - [ -0.0006544200000000, 0.0000000000000000, -0.0004996900000000 ] - [ -0.0002928400000000, 0.0000000000000000, -0.0005948800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003533800000000, 0.0080195000000000, -0.0009693000000000 ] - [ 0.0001906600000000, 0.0080731800000000, -0.0009795700000000 ] - [ -0.0003715300000000, 0.0073414800000000, -0.0013282900000000 ] - [ 0.0004790900000000, 0.0073228000000000, -0.0013934600000000 ] - [ -0.0052668600000000, 0.0298899300000000, -0.0275382800000000 ] - [ 0.0002576900000000, 0.0079208300000000, 0.0010517500000000 ] - [ 0.0007309500000000, 0.0057427500000000, 0.0013675900000000 ] - [ 0.0002035900000000, 0.0076096600000000, 0.0010829800000000 ] - [ -0.0002532800000000, 0.0079515700000000, -0.0010758400000000 ] - [ -0.0000367200000000, 0.0085040800000000, -0.0008542700000000 ] - [ -0.0001662000000000, 0.0076000700000000, -0.0010728700000000 ] - [ -0.0005847100000000, 0.0065416300000000, -0.0019935000000000 ] - [ 0.0001173500000000, -0.0075054100000000, -0.0011667700000000 ] - [ 0.0002818400000000, -0.0074486700000000, -0.0011578900000000 ] - [ 0.0008455100000000, -0.0081879500000000, -0.0008051500000000 ] - [ -0.0000068600000000, -0.0082018300000000, -0.0007437400000000 ] - [ -0.0001387800000000, -0.0082637200000000, 0.0009534000000000 ] - [ -0.0002767100000000, -0.0078598300000000, 0.0010319300000000 ] - [ -0.0004358300000000, -0.0073268100000000, 0.0013042300000000 ] - [ -0.0002272300000000, -0.0076749400000000, 0.0011005600000000 ] - [ -0.0003045200000000, -0.0079232400000000, -0.0010659000000000 ] - [ 0.0001188700000000, -0.0089874400000000, -0.0001349800000000 ] - [ -0.0002179500000000, -0.0075727600000000, -0.0010626500000000 ] - [ -0.0004351200000000, -0.0070437900000000, -0.0012994700000000 ] - [ 0.0061040800000000, 0.0150838800000000, 0.0306069500000000 ] - [ 0.0002038500000000, -0.0075989700000000, 0.0010803500000000 ] - [ -0.0002673300000000, -0.0097960800000000, 0.0007554300000000 ] - [ 0.0002645000000000, -0.0079179000000000, 0.0010498100000000 ] - [ -0.0000393000000000, 0.0081915100000000, 0.0008367500000000 ] - [ -0.0002417300000000, 0.0078494900000000, 0.0010342100000000 ] - [ -0.0003310200000000, 0.0072593500000000, 0.0011832000000000 ] - [ -0.0001907100000000, 0.0076642000000000, 0.0011043900000000 ] - [ 0.0052956700000000, 0.0000622700000000, 0.0098628000000000 ] - [ 0.0049356600000000, 0.0000191500000000, 0.0100262800000000 ] - [ 0.0047599000000000, 0.0000618600000000, 0.0102695700000000 ] - [ 0.0051188300000000, 0.0000190400000000, 0.0101057300000000 ] - [ -0.0050269300000000, 0.0000278700000000, -0.0100664200000000 ] - [ -0.0050247500000000, 0.0000954700000000, -0.0100622600000000 ] - [ -0.0050271800000000, -0.0000067400000000, -0.0100664000000000 ] - [ -0.0050260900000000, -0.0001487900000000, -0.0100664400000000 ] - [ 0.0026718800000000, -0.0009445700000000, -0.0095365400000000 ] - [ 0.0052614900000000, -0.0000913900000000, -0.0101075400000000 ] - [ 0.0073824700000000, -0.0009399100000000, -0.0106020500000000 ] - [ 0.0047941000000000, -0.0000935400000000, -0.0100269000000000 ] - [ -0.0014805500000000, 0.0000681400000000, -0.0014090400000000 ] - [ -0.0014175200000000, 0.0040555000000000, -0.0014297600000000 ] - [ -0.0014780200000000, -0.0000957100000000, -0.0014092200000000 ] - [ -0.0014793800000000, -0.0006918300000000, -0.0014091000000000 ] - [ 0.0012174900000000, -0.0000054000000000, -0.0015316700000000 ] - [ 0.0016676800000000, -0.0000002200000000, -0.0014462900000000 ] - [ 0.0017410200000000, -0.0000050300000000, -0.0012835100000000 ] - [ 0.0012915800000000, -0.0000010700000000, -0.0013695600000000 ] - [ -0.0014793000000000, 0.0001323400000000, 0.0014075500000000 ] - [ -0.0014790600000000, 0.0000348900000000, 0.0014078300000000 ] - [ -0.0014788400000000, -0.0002882800000000, 0.0014087300000000 ] - [ -0.0014762800000000, -0.0000181700000000, 0.0014077600000000 ] - [ 0.0018307700000000, -0.0014277500000000, 0.0026251100000000 ] - [ 0.0015283800000000, 0.0000002600000000, 0.0015130100000000 ] - [ 0.0011346400000000, -0.0014440300000000, 0.0001841900000000 ] - [ 0.0014302800000000, -0.0000002600000000, 0.0013013500000000 ] - [ -0.0050281200000000, 0.0001830900000000, 0.0100691000000000 ] - [ -0.0050313500000000, -0.0001419200000000, 0.0100571900000000 ] - [ -0.0050275800000000, -0.0003030700000000, 0.0100663200000000 ] - [ -0.0050246800000000, -0.0002740000000000, 0.0100660800000000 ] - [ -0.0023509900000000, -0.0650084300000000, -0.0032868500000000 ] - [ -0.0018695500000000, -0.0001412000000000, -0.0023583900000000 ] - [ -0.0018677600000000, 0.0016039300000000, -0.0023655900000000 ] - [ -0.0018719800000000, 0.0001025600000000, -0.0023575600000000 ] - [ -0.0002348400000000, -0.0000662600000000, 0.0027819400000000 ] - [ -0.0002188900000000, -0.0004029800000000, 0.0028260600000000 ] - [ -0.0002358700000000, 0.0002751400000000, 0.0027823200000000 ] - [ -0.0002403300000000, 0.0011987300000000, 0.0027852200000000 ] - [ 0.0050812700000000, 0.0104922600000000, -0.0056701100000000 ] - [ 0.0000648700000000, 0.0000627900000000, -0.0026731500000000 ] - [ -0.0045611400000000, 0.0104177000000000, 0.0001610800000000 ] - [ 0.0004054800000000, 0.0000660500000000, -0.0028921300000000 ] - [ -0.0002346300000000, -0.0002686800000000, -0.0027853800000000 ] - [ -0.0002368200000000, -0.0000533000000000, -0.0027824300000000 ] - [ -0.0002363000000000, 0.0003155300000000, -0.0027833700000000 ] - [ -0.0002402200000000, 0.0000001900000000, -0.0027820000000000 ] - [ 0.0004090900000000, -0.0001403600000000, 0.0028401500000000 ] - [ -0.0002068100000000, -0.0001174400000000, 0.0029176500000000 ] - [ 0.0000590900000000, -0.0001406600000000, 0.0027217000000000 ] - [ 0.0006714400000000, -0.0001139100000000, 0.0026484100000000 ] - [ -0.0018711200000000, -0.0002587300000000, 0.0023573900000000 ] - [ -0.0018716100000000, -0.0002586400000000, 0.0023614300000000 ] - [ -0.0018704000000000, 0.0004365700000000, 0.0023580500000000 ] - [ -0.0018711400000000, 0.0004364600000000, 0.0023616500000000 ] - [ 0.0019844900000000, 0.0001079700000000, -0.0021821800000000 ] - [ 0.0017974200000000, 0.0000157400000000, -0.0023285900000000 ] - [ 0.0017581800000000, 0.0001080300000000, -0.0025497100000000 ] - [ 0.0019451300000000, 0.0000166000000000, -0.0023999300000000 ] - [ 0.0019646300000000, -0.0000179500000000, 0.0022146900000000 ] - [ 0.0001379900000000, 0.0009871500000000, 0.0002448800000000 ] - [ 0.0017786500000000, -0.0000171800000000, 0.0025135600000000 ] - [ 0.0035934900000000, 0.0010066700000000, 0.0044624100000000 ] - [ -0.0005178800000000, -0.0000254500000000, 0.0004371300000000 ] - [ -0.0031392800000000, 0.0014245700000000, 0.0012653200000000 ] - [ -0.0011025200000000, -0.0000251800000000, 0.0002717900000000 ] - [ 0.0015091400000000, 0.0014260900000000, -0.0005489700000000 ] - [ 0.0008082100000000, -0.0009400300000000, -0.0003313400000000 ] - [ 0.0008136500000000, -0.0000796900000000, -0.0003553500000000 ] - [ 0.0008134200000000, 0.0009991800000000, -0.0003547700000000 ] - [ 0.0008121400000000, 0.0000707000000000, -0.0003555300000000 ] - [ 0.0007722700000000, 0.0009013100000000, 0.0013735300000000 ] - [ -0.0008657200000000, -0.0000163200000000, -0.0003154800000000 ] - [ -0.0024025100000000, 0.0009044600000000, -0.0020868300000000 ] - [ -0.0007578500000000, -0.0000144800000000, -0.0003975900000000 ] - [ 0.0008129100000000, -0.0001272600000000, 0.0003547400000000 ] - [ 0.0008115300000000, -0.0001387800000000, 0.0003573000000000 ] - [ 0.0008124300000000, 0.0001288000000000, 0.0003546500000000 ] - [ 0.0008110000000000, 0.0000620700000000, 0.0003536000000000 ] - [ 0.0009930100000000, -0.0000000200000000, -0.0009931400000000 ] - [ 0.0003144300000000, 0.0000004400000000, -0.0004736400000000 ] - [ 0.0000037600000000, -0.0000005200000000, 0.0000090600000000 ] - [ 0.0006781500000000, 0.0000054100000000, -0.0005093900000000 ] - [ -0.0005028200000000, -0.0031366800000000, 0.0004845400000000 ] - [ -0.0004804300000000, 0.0002261500000000, 0.0004886200000000 ] - [ -0.0004961400000000, 0.0009375900000000, 0.0004910500000000 ] - [ -0.0004967100000000, 0.0001531300000000, 0.0004909900000000 ] - [ 0.0004821100000000, -0.0000418100000000, 0.0004376500000000 ] - [ 0.0005513600000000, 0.0000089700000000, 0.0005007100000000 ] - [ 0.0005098200000000, -0.0000426900000000, 0.0005439500000000 ] - [ 0.0004424600000000, 0.0000084400000000, 0.0004809100000000 ] - [ -0.0004957600000000, -0.0000973400000000, -0.0004927300000000 ] - [ -0.0004978000000000, -0.0008701800000000, -0.0004948100000000 ] - [ -0.0004966000000000, 0.0001437300000000, -0.0004926400000000 ] - [ -0.0004958200000000, 0.0004163200000000, -0.0004920200000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001261400000000, 0.0077852100000000, -0.0011737900000000 ] - [ 0.0003548000000000, 0.0076237800000000, -0.0011442100000000 ] - [ 0.0002308600000000, 0.0077918000000000, -0.0010875700000000 ] - [ 0.0003711100000000, 0.0076438000000000, -0.0012883000000000 ] - [ 0.0052375000000000, -0.0160053300000000, 0.0458991600000000 ] - [ -0.0002109400000000, 0.0074478900000000, 0.0009577200000000 ] - [ 0.0007748700000000, 0.0053038100000000, 0.0032491200000000 ] - [ 0.0001821400000000, 0.0077877500000000, 0.0010709500000000 ] - [ 0.0001728800000000, 0.0079719500000000, -0.0010354500000000 ] - [ -0.0019507500000000, 0.0092872200000000, -0.0006852400000000 ] - [ -0.0002215600000000, 0.0076853100000000, -0.0010297200000000 ] - [ -0.0003106900000000, 0.0076544100000000, -0.0005781700000000 ] - [ 0.0001261400000000, -0.0077852100000000, -0.0011737900000000 ] - [ 0.0003548000000000, -0.0076237800000000, -0.0011442100000000 ] - [ 0.0002308600000000, -0.0077918000000000, -0.0010875700000000 ] - [ 0.0003711100000000, -0.0076438000000000, -0.0012883000000000 ] - [ -0.0001666000000000, -0.0078039000000000, 0.0009502300000000 ] - [ -0.0002750100000000, -0.0077243400000000, 0.0010282000000000 ] - [ -0.0001131100000000, -0.0079891300000000, 0.0006750400000000 ] - [ -0.0003434900000000, -0.0078045200000000, 0.0010353800000000 ] - [ -0.0002215600000000, -0.0076853100000000, -0.0010297200000000 ] - [ -0.0003106900000000, -0.0076544100000000, -0.0005781700000000 ] - [ 0.0001728800000000, -0.0079719500000000, -0.0010354500000000 ] - [ -0.0019507500000000, -0.0092872200000000, -0.0006852400000000 ] - [ 0.0052375000000000, 0.0160053300000000, 0.0458991600000000 ] - [ -0.0002109400000000, -0.0074478900000000, 0.0009577200000000 ] - [ 0.0007748700000000, -0.0053038100000000, 0.0032491200000000 ] - [ 0.0001821400000000, -0.0077877500000000, 0.0010709500000000 ] - [ -0.0001131100000000, 0.0079891300000000, 0.0006750400000000 ] - [ -0.0003434900000000, 0.0078045200000000, 0.0010353800000000 ] - [ -0.0001666000000000, 0.0078039000000000, 0.0009502300000000 ] - [ -0.0002750100000000, 0.0077243400000000, 0.0010282000000000 ] - [ 0.0051236000000000, -0.0000261000000000, 0.0099335600000000 ] - [ 0.0049391700000000, -0.0000215600000000, 0.0100143900000000 ] - [ 0.0051236000000000, 0.0000261000000000, 0.0099335600000000 ] - [ 0.0049391700000000, 0.0000215600000000, 0.0100143900000000 ] - [ -0.0050737600000000, 0.0000000000000000, -0.0100585300000000 ] - [ -0.0051047000000000, 0.0000000000000000, -0.0112542300000000 ] - [ -0.0050609000000000, 0.0000000000000000, -0.0101013100000000 ] - [ -0.0050121800000000, 0.0000000000000000, -0.0102168000000000 ] - [ 0.0032283200000000, -0.0010966500000000, -0.0087166800000000 ] - [ 0.0051187200000000, 0.0000181500000000, -0.0099835900000000 ] - [ 0.0032283200000000, 0.0010966500000000, -0.0087166800000000 ] - [ 0.0051187200000000, -0.0000181500000000, -0.0099835900000000 ] - [ -0.0019107000000000, 0.0000000000000000, -0.0012468700000000 ] - [ -0.0218010700000000, 0.0000000000000000, 0.0167331300000000 ] - [ -0.0017776900000000, 0.0000000000000000, -0.0013053100000000 ] - [ -0.0011059800000000, 0.0000000000000000, -0.0006536200000000 ] - [ 0.0013675500000000, 0.0000128800000000, -0.0015778700000000 ] - [ 0.0015141100000000, 0.0000484500000000, -0.0015282400000000 ] - [ 0.0013675500000000, -0.0000128800000000, -0.0015778700000000 ] - [ 0.0015141100000000, -0.0000484500000000, -0.0015282400000000 ] - [ -0.0014024500000000, 0.0000000000000000, 0.0010938100000000 ] - [ -0.0015973200000000, 0.0000000000000000, 0.0013136800000000 ] - [ -0.0014998100000000, 0.0000000000000000, 0.0013091400000000 ] - [ -0.0014462300000000, 0.0000000000000000, 0.0013245100000000 ] - [ 0.0018432100000000, 0.0012939300000000, 0.0029598900000000 ] - [ 0.0013085100000000, 0.0000387000000000, 0.0015313200000000 ] - [ 0.0018432100000000, -0.0012939300000000, 0.0029598900000000 ] - [ 0.0013085100000000, -0.0000387000000000, 0.0015313200000000 ] - [ -0.0035877500000000, 0.0000000000000000, 0.0111975200000000 ] - [ -0.0040088500000000, 0.0000000000000000, 0.0116764800000000 ] - [ -0.0049980500000000, 0.0000000000000000, 0.0103836400000000 ] - [ -0.0049410700000000, 0.0000000000000000, 0.0103156400000000 ] - [ -0.0006070700000000, 0.0000000000000000, -0.1122454900000000 ] - [ -0.0016447000000000, 0.0000000000000000, -0.0020066300000000 ] - [ -0.0028566000000000, 0.0000000000000000, -0.0054274800000000 ] - [ -0.0017285300000000, 0.0000000000000000, -0.0023618800000000 ] - [ -0.0013488900000000, 0.0000000000000000, 0.0021343100000000 ] - [ 0.0081059300000000, 0.0000000000000000, -0.0012378600000000 ] - [ -0.0000386100000000, 0.0000000000000000, 0.0025536900000000 ] - [ -0.0001674200000000, 0.0000000000000000, 0.0017386000000000 ] - [ 0.0025577000000000, 0.0042818200000000, -0.0131650900000000 ] - [ 0.0002569900000000, -0.0001824800000000, -0.0027089800000000 ] - [ 0.0025577000000000, -0.0042818200000000, -0.0131650900000000 ] - [ 0.0002569900000000, 0.0001824800000000, -0.0027089800000000 ] - [ -0.0006133400000000, 0.0000000000000000, -0.0023953700000000 ] - [ -0.0000936300000000, 0.0000000000000000, -0.0027875300000000 ] - [ -0.0002979600000000, 0.0000000000000000, -0.0026798000000000 ] - [ -0.0001645000000000, 0.0000000000000000, -0.0026845100000000 ] - [ 0.0004062000000000, 0.0001264900000000, 0.0028406600000000 ] - [ 0.0001030700000000, -0.0001566100000000, 0.0029890000000000 ] - [ 0.0004062000000000, -0.0001264900000000, 0.0028406600000000 ] - [ 0.0001030700000000, 0.0001566100000000, 0.0029890000000000 ] - [ -0.0018470900000000, 0.0000000000000000, 0.0024274000000000 ] - [ -0.0018824500000000, 0.0000000000000000, 0.0024251900000000 ] - [ -0.0018542300000000, 0.0000000000000000, 0.0023818200000000 ] - [ -0.0019404700000000, 0.0000000000000000, 0.0023824600000000 ] - [ 0.0017909000000000, -0.0001813800000000, -0.0022098000000000 ] - [ 0.0018743600000000, -0.0000373800000000, -0.0023214800000000 ] - [ 0.0017909000000000, 0.0001813800000000, -0.0022098000000000 ] - [ 0.0018743600000000, 0.0000373800000000, -0.0023214800000000 ] - [ 0.0019848600000000, -0.0001502200000000, 0.0021706900000000 ] - [ 0.0025190000000000, -0.0021089500000000, 0.0005976500000000 ] - [ 0.0019848600000000, 0.0001502200000000, 0.0021706900000000 ] - [ 0.0025190000000000, 0.0021089500000000, 0.0005976500000000 ] - [ -0.0004835100000000, -0.0000436200000000, 0.0004174300000000 ] - [ -0.0023327200000000, 0.0007745900000000, 0.0008327100000000 ] - [ -0.0004835100000000, 0.0000436200000000, 0.0004174300000000 ] - [ -0.0023327200000000, -0.0007745900000000, 0.0008327100000000 ] - [ -0.0015531600000000, 0.0000000000000000, 0.0173736500000000 ] - [ 0.0006511500000000, 0.0000000000000000, -0.0003733800000000 ] - [ 0.0007622600000000, 0.0000000000000000, -0.0002152400000000 ] - [ 0.0008535800000000, 0.0000000000000000, -0.0003815900000000 ] - [ -0.0003798200000000, 0.0003920800000000, 0.0009295200000000 ] - [ -0.0008391200000000, -0.0000852100000000, -0.0004061300000000 ] - [ -0.0003798200000000, -0.0003920800000000, 0.0009295200000000 ] - [ -0.0008391200000000, 0.0000852100000000, -0.0004061300000000 ] - [ 0.0007693400000000, 0.0000000000000000, 0.0005463500000000 ] - [ 0.0013150300000000, 0.0000000000000000, 0.0007817200000000 ] - [ 0.0008376900000000, 0.0000000000000000, 0.0003223800000000 ] - [ 0.0008175800000000, 0.0000000000000000, 0.0005264300000000 ] - [ 0.0001975500000000, -0.0002886300000000, -0.0008618100000000 ] - [ 0.0009427000000000, -0.0001417000000000, -0.0007323200000000 ] - [ 0.0001975500000000, 0.0002886300000000, -0.0008618100000000 ] - [ 0.0009427000000000, 0.0001417000000000, -0.0007323200000000 ] - [ 0.0022419200000000, 0.0000000000000000, -0.0009926200000000 ] - [ -0.0002025200000000, 0.0000000000000000, 0.0012968400000000 ] - [ -0.0001217300000000, 0.0000000000000000, 0.0004264700000000 ] - [ -0.0006019800000000, 0.0000000000000000, 0.0004343700000000 ] - [ 0.0004244900000000, -0.0002011900000000, 0.0007543400000000 ] - [ 0.0005571500000000, -0.0000138600000000, 0.0005349700000000 ] - [ 0.0004244900000000, 0.0002011900000000, 0.0007543400000000 ] - [ 0.0005571500000000, 0.0000138600000000, 0.0005349700000000 ] - [ -0.0003760700000000, 0.0000000000000000, -0.0004909200000000 ] - [ -0.0008333100000000, 0.0000000000000000, 0.0004420000000000 ] - [ -0.0004689900000000, 0.0000000000000000, -0.0004787300000000 ] - [ -0.0005450000000000, 0.0000000000000000, -0.0002205300000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003449200000000, 0.0077436200000000, -0.0009586900000000 ] - [ 0.0001135500000000, 0.0079073700000000, -0.0009853600000000 ] - [ 0.0002454000000000, 0.0077385000000000, -0.0010420100000000 ] - [ 0.0000975200000000, 0.0078856600000000, -0.0008450400000000 ] - [ -0.0044578800000000, 0.0305943500000000, -0.0429303200000000 ] - [ 0.0006724000000000, 0.0080772900000000, 0.0011695000000000 ] - [ -0.0003045600000000, 0.0102113900000000, -0.0011170500000000 ] - [ 0.0002856200000000, 0.0077428800000000, 0.0010575000000000 ] - [ -0.0006430900000000, 0.0075583100000000, -0.0010954700000000 ] - [ 0.0015330100000000, 0.0062244800000000, -0.0014623500000000 ] - [ -0.0002479400000000, 0.0078454000000000, -0.0011028600000000 ] - [ -0.0001583500000000, 0.0078703200000000, -0.0015618000000000 ] - [ 0.0003449200000000, -0.0077436200000000, -0.0009586900000000 ] - [ 0.0001135500000000, -0.0079073700000000, -0.0009853600000000 ] - [ 0.0002454000000000, -0.0077385000000000, -0.0010420100000000 ] - [ 0.0000975200000000, -0.0078856600000000, -0.0008450400000000 ] - [ -0.0003025300000000, -0.0077234900000000, 0.0011829400000000 ] - [ -0.0001937700000000, -0.0078044600000000, 0.0011025000000000 ] - [ -0.0003584800000000, -0.0075308300000000, 0.0014621200000000 ] - [ -0.0001234200000000, -0.0077233900000000, 0.0010961700000000 ] - [ -0.0002479400000000, -0.0078454000000000, -0.0011028600000000 ] - [ -0.0001583500000000, -0.0078703200000000, -0.0015618000000000 ] - [ -0.0006430900000000, -0.0075583100000000, -0.0010954700000000 ] - [ 0.0015330100000000, -0.0062244800000000, -0.0014623500000000 ] - [ -0.0044578800000000, -0.0305943500000000, -0.0429303200000000 ] - [ 0.0006724000000000, -0.0080772900000000, 0.0011695000000000 ] - [ -0.0003045600000000, -0.0102113900000000, -0.0011170500000000 ] - [ 0.0002856200000000, -0.0077428800000000, 0.0010575000000000 ] - [ -0.0003584800000000, 0.0075308300000000, 0.0014621200000000 ] - [ -0.0001234200000000, 0.0077233900000000, 0.0010961700000000 ] - [ -0.0003025300000000, 0.0077234900000000, 0.0011829400000000 ] - [ -0.0001937700000000, 0.0078044600000000, 0.0011025000000000 ] - [ 0.0049147500000000, 0.0000260500000000, 0.0102055000000000 ] - [ 0.0051008200000000, 0.0000212900000000, 0.0101203700000000 ] - [ 0.0049147500000000, -0.0000260500000000, 0.0102055000000000 ] - [ 0.0051008200000000, -0.0000212900000000, 0.0101203700000000 ] - [ -0.0049653500000000, 0.0000000000000000, -0.0100774700000000 ] - [ -0.0049388300000000, 0.0000000000000000, -0.0088739900000000 ] - [ -0.0049760100000000, 0.0000000000000000, -0.0100351800000000 ] - [ -0.0050268100000000, 0.0000000000000000, -0.0099195000000000 ] - [ 0.0068058900000000, 0.0010927000000000, -0.0114237100000000 ] - [ 0.0049196400000000, -0.0000168100000000, -0.0101587100000000 ] - [ 0.0068058900000000, -0.0010927000000000, -0.0114237100000000 ] - [ 0.0049196400000000, 0.0000168100000000, -0.0101587100000000 ] - [ -0.0010427200000000, 0.0000000000000000, -0.0015727500000000 ] - [ 0.0187581700000000, 0.0000000000000000, -0.0196126100000000 ] - [ -0.0011739500000000, 0.0000000000000000, -0.0015119200000000 ] - [ -0.0018446300000000, 0.0000000000000000, -0.0021651600000000 ] - [ 0.0015839900000000, -0.0000133400000000, -0.0012361800000000 ] - [ 0.0014363000000000, -0.0000486800000000, -0.0012856200000000 ] - [ 0.0015839900000000, 0.0000133400000000, -0.0012361800000000 ] - [ 0.0014363000000000, 0.0000486800000000, -0.0012856200000000 ] - [ -0.0015523200000000, 0.0000000000000000, 0.0017226000000000 ] - [ -0.0013531300000000, 0.0000000000000000, 0.0014999500000000 ] - [ -0.0014562900000000, 0.0000000000000000, 0.0015062400000000 ] - [ -0.0015061100000000, 0.0000000000000000, 0.0014901100000000 ] - [ 0.0010990600000000, -0.0013224900000000, -0.0001702900000000 ] - [ 0.0016440300000000, -0.0000376100000000, 0.0012808900000000 ] - [ 0.0010990600000000, 0.0013224900000000, -0.0001702900000000 ] - [ 0.0016440300000000, 0.0000376100000000, 0.0012808900000000 ] - [ -0.0064621600000000, 0.0000000000000000, 0.0089370900000000 ] - [ -0.0060357600000000, 0.0000000000000000, 0.0084484300000000 ] - [ -0.0050447200000000, 0.0000000000000000, 0.0097520800000000 ] - [ -0.0050985300000000, 0.0000000000000000, 0.0098170500000000 ] - [ -0.0038137200000000, 0.0000000000000000, 0.1065140100000000 ] - [ -0.0020992100000000, 0.0000000000000000, -0.0027070900000000 ] - [ -0.0008904700000000, 0.0000000000000000, 0.0006967000000000 ] - [ -0.0020188200000000, 0.0000000000000000, -0.0023494200000000 ] - [ 0.0008946000000000, 0.0000000000000000, 0.0034293300000000 ] - [ -0.0085965800000000, 0.0000000000000000, 0.0068824600000000 ] - [ -0.0004272300000000, 0.0000000000000000, 0.0030109300000000 ] - [ -0.0002948400000000, 0.0000000000000000, 0.0038279700000000 ] - [ -0.0020801600000000, -0.0042866200000000, 0.0075725400000000 ] - [ 0.0002120700000000, 0.0001801300000000, -0.0028569800000000 ] - [ -0.0020801600000000, 0.0042866200000000, 0.0075725400000000 ] - [ 0.0002120700000000, -0.0001801300000000, -0.0028569800000000 ] - [ 0.0001589400000000, 0.0000000000000000, -0.0031755600000000 ] - [ -0.0003712200000000, 0.0000000000000000, -0.0027821800000000 ] - [ -0.0001649900000000, 0.0000000000000000, -0.0028905200000000 ] - [ -0.0003149700000000, 0.0000000000000000, -0.0028818700000000 ] - [ 0.0000556300000000, -0.0001249300000000, 0.0027207700000000 ] - [ 0.0003634500000000, 0.0001557000000000, 0.0025737600000000 ] - [ 0.0000556300000000, 0.0001249300000000, 0.0027207700000000 ] - [ 0.0003634500000000, -0.0001557000000000, 0.0025737600000000 ] - [ -0.0018902400000000, 0.0000000000000000, 0.0022992800000000 ] - [ -0.0018604000000000, 0.0000000000000000, 0.0022971900000000 ] - [ -0.0018876500000000, 0.0000000000000000, 0.0023351900000000 ] - [ -0.0018026200000000, 0.0000000000000000, 0.0023363200000000 ] - [ 0.0019540000000000, 0.0001872400000000, -0.0025153000000000 ] - [ 0.0018698800000000, 0.0000372300000000, -0.0024045000000000 ] - [ 0.0019540000000000, -0.0001872400000000, -0.0025153000000000 ] - [ 0.0018698800000000, -0.0000372300000000, -0.0024045000000000 ] - [ 0.0017638900000000, 0.0001505700000000, 0.0025427600000000 ] - [ 0.0012269300000000, 0.0021097400000000, 0.0041550300000000 ] - [ 0.0017638900000000, -0.0001505700000000, 0.0025427600000000 ] - [ 0.0012269300000000, -0.0021097400000000, 0.0041550300000000 ] - [ -0.0011370000000000, 0.0000432900000000, 0.0002954500000000 ] - [ 0.0007135000000000, -0.0007823400000000, -0.0001193100000000 ] - [ -0.0011370000000000, -0.0000432900000000, 0.0002954500000000 ] - [ 0.0007135000000000, 0.0007823400000000, -0.0001193100000000 ] - [ 0.0032472200000000, 0.0000000000000000, -0.0184865200000000 ] - [ 0.0009723900000000, 0.0000000000000000, -0.0003396700000000 ] - [ 0.0008600300000000, 0.0000000000000000, -0.0005038300000000 ] - [ 0.0007683400000000, 0.0000000000000000, -0.0003324800000000 ] - [ -0.0012582200000000, -0.0003993400000000, -0.0016555400000000 ] - [ -0.0007825400000000, 0.0000842600000000, -0.0003086600000000 ] - [ -0.0012582200000000, 0.0003993400000000, -0.0016555400000000 ] - [ -0.0007825400000000, -0.0000842600000000, -0.0003086600000000 ] - [ 0.0008548800000000, 0.0000000000000000, 0.0001635000000000 ] - [ 0.0003002000000000, 0.0000000000000000, -0.0000775500000000 ] - [ 0.0007843500000000, 0.0000000000000000, 0.0003863800000000 ] - [ 0.0008053400000000, 0.0000000000000000, 0.0001826900000000 ] - [ 0.0007987300000000, 0.0002888800000000, -0.0001239700000000 ] - [ 0.0000440600000000, 0.0001435900000000, -0.0002483700000000 ] - [ 0.0007987300000000, -0.0002888800000000, -0.0001239700000000 ] - [ 0.0000440600000000, -0.0001435900000000, -0.0002483700000000 ] - [ -0.0032500600000000, 0.0000000000000000, 0.0019584200000000 ] - [ -0.0007513400000000, 0.0000000000000000, -0.0003178700000000 ] - [ -0.0008688000000000, 0.0000000000000000, 0.0005575000000000 ] - [ -0.0003902800000000, 0.0000000000000000, 0.0005495500000000 ] - [ 0.0005678100000000, 0.0002041600000000, 0.0002268500000000 ] - [ 0.0004343000000000, 0.0000145100000000, 0.0004461800000000 ] - [ 0.0005678100000000, -0.0002041600000000, 0.0002268500000000 ] - [ 0.0004343000000000, -0.0000145100000000, 0.0004461800000000 ] - [ -0.0006157300000000, 0.0000000000000000, -0.0004952500000000 ] - [ -0.0001540800000000, 0.0000000000000000, -0.0014258600000000 ] - [ -0.0005242000000000, 0.0000000000000000, -0.0005073600000000 ] - [ -0.0004460900000000, 0.0000000000000000, -0.0007648400000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0009019900000000, 0.0068439300000000, -0.0015190500000000 ] - [ -0.0001100500000000, 0.0077933200000000, -0.0009945100000000 ] - [ 0.0007150400000000, 0.0075616400000000, -0.0010826500000000 ] - [ -0.0000956500000000, 0.0078276900000000, -0.0010387500000000 ] - [ -0.0001230500000000, 0.0075115000000000, 0.0011786400000000 ] - [ 0.0003863000000000, 0.0079941100000000, -0.0003060000000000 ] - [ -0.0001039700000000, 0.0080797400000000, 0.0011696100000000 ] - [ -0.0001248000000000, 0.0075544600000000, 0.0009095000000000 ] - [ 0.0167121300000000, 0.0279076600000000, -0.0170707700000000 ] - [ -0.0013085500000000, 0.0081070800000000, -0.0009173300000000 ] - [ 0.0016894800000000, 0.0090386500000000, -0.0016742300000000 ] - [ -0.0007231500000000, 0.0075748200000000, -0.0011726900000000 ] - [ 0.0009019900000000, -0.0068439300000000, -0.0015190500000000 ] - [ -0.0001100500000000, -0.0077933200000000, -0.0009945100000000 ] - [ 0.0007150400000000, -0.0075616400000000, -0.0010826500000000 ] - [ -0.0000956500000000, -0.0078276900000000, -0.0010387500000000 ] - [ -0.0001258300000000, -0.0074765100000000, 0.0010634900000000 ] - [ -0.0005085500000000, -0.0077824500000000, 0.0011168600000000 ] - [ 0.0000745900000000, -0.0078967500000000, 0.0007051200000000 ] - [ -0.0006432500000000, -0.0074500600000000, 0.0013867000000000 ] - [ 0.0016894800000000, -0.0090386500000000, -0.0016742300000000 ] - [ -0.0007231500000000, -0.0075748200000000, -0.0011726900000000 ] - [ 0.0167121300000000, -0.0279076600000000, -0.0170707700000000 ] - [ -0.0013085500000000, -0.0081070800000000, -0.0009173300000000 ] - [ -0.0001230500000000, -0.0075115000000000, 0.0011786400000000 ] - [ 0.0003863000000000, -0.0079941100000000, -0.0003060000000000 ] - [ -0.0001039700000000, -0.0080797400000000, 0.0011696100000000 ] - [ -0.0001248000000000, -0.0075544600000000, 0.0009095000000000 ] - [ 0.0000745900000000, 0.0078967500000000, 0.0007051200000000 ] - [ -0.0006432500000000, 0.0074500600000000, 0.0013867000000000 ] - [ -0.0001258300000000, 0.0074765100000000, 0.0010634900000000 ] - [ -0.0005085500000000, 0.0077824500000000, 0.0011168600000000 ] - [ 0.0046489700000000, 0.0000571000000000, 0.0100721000000000 ] - [ 0.0056453000000000, 0.0000460200000000, 0.0101127100000000 ] - [ 0.0046489700000000, -0.0000571000000000, 0.0100721000000000 ] - [ 0.0056453000000000, -0.0000460200000000, 0.0101127100000000 ] - [ -0.0050227100000000, 0.0000000000000000, -0.0096722000000000 ] - [ -0.0055516800000000, 0.0000000000000000, -0.0105292300000000 ] - [ -0.0051036300000000, 0.0000000000000000, -0.0099165400000000 ] - [ -0.0051655800000000, 0.0000000000000000, -0.0101320500000000 ] - [ 0.0046783400000000, 0.0016031400000000, -0.0092366700000000 ] - [ 0.0044086100000000, -0.0000369600000000, -0.0101155400000000 ] - [ 0.0046783400000000, -0.0016031400000000, -0.0092366700000000 ] - [ 0.0044086100000000, 0.0000369600000000, -0.0101155400000000 ] - [ 0.0156231400000000, 0.0000000000000000, 0.0197379700000000 ] - [ -0.0033337700000000, 0.0000000000000000, -0.0010191900000000 ] - [ -0.0008245100000000, 0.0000000000000000, -0.0019566100000000 ] - [ -0.0020293300000000, 0.0000000000000000, -0.0014697400000000 ] - [ 0.0019463100000000, 0.0002107700000000, -0.0011784200000000 ] - [ 0.0010320900000000, -0.0000092000000000, -0.0013672700000000 ] - [ 0.0019463100000000, -0.0002107700000000, -0.0011784200000000 ] - [ 0.0010320900000000, 0.0000092000000000, -0.0013672700000000 ] - [ -0.0017001800000000, 0.0000000000000000, 0.0010547100000000 ] - [ -0.0017535000000000, 0.0000000000000000, 0.0014491200000000 ] - [ -0.0012881100000000, 0.0000000000000000, 0.0012810900000000 ] - [ -0.0016453100000000, 0.0000000000000000, 0.0014464000000000 ] - [ 0.0008896000000000, 0.0004290300000000, 0.0015838800000000 ] - [ 0.0010643500000000, -0.0001238400000000, 0.0016307100000000 ] - [ 0.0008896000000000, -0.0004290300000000, 0.0015838800000000 ] - [ 0.0010643500000000, 0.0001238400000000, 0.0016307100000000 ] - [ 0.1047329600000000, 0.0000000000000000, 0.0191093100000000 ] - [ -0.0062009700000000, 0.0000000000000000, 0.0100078800000000 ] - [ -0.0035312000000000, 0.0000000000000000, 0.0103565900000000 ] - [ -0.0056133700000000, 0.0000000000000000, 0.0101273400000000 ] - [ -0.0000454100000000, 0.0000000000000000, -0.0034912800000000 ] - [ 0.0057599500000000, 0.0000000000000000, 0.0060245800000000 ] - [ -0.0015195500000000, 0.0000000000000000, -0.0021882600000000 ] - [ -0.0016856500000000, 0.0000000000000000, -0.0022958900000000 ] - [ -0.1783386500000000, 0.0000000000000000, -0.0038907100000000 ] - [ 0.0012616600000000, 0.0000000000000000, 0.0030382000000000 ] - [ -0.0041894500000000, 0.0000000000000000, 0.0042811200000000 ] - [ 0.0005004600000000, 0.0000000000000000, 0.0027549500000000 ] - [ 0.0013589000000000, -0.0009834900000000, -0.0032089700000000 ] - [ 0.0014988200000000, 0.0003295500000000, -0.0022843600000000 ] - [ 0.0013589000000000, 0.0009834900000000, -0.0032089700000000 ] - [ 0.0014988200000000, -0.0003295500000000, -0.0022843600000000 ] - [ 0.0001615500000000, 0.0000000000000000, -0.0026498300000000 ] - [ 0.0001646200000000, 0.0000000000000000, -0.0032886000000000 ] - [ -0.0000188200000000, 0.0000000000000000, -0.0026025300000000 ] - [ -0.0000190400000000, 0.0000000000000000, -0.0029510200000000 ] - [ -0.0006622600000000, -0.0004647000000000, 0.0028894500000000 ] - [ 0.0007793300000000, -0.0000602400000000, 0.0026622600000000 ] - [ -0.0006622600000000, 0.0004647000000000, 0.0028894500000000 ] - [ 0.0007793300000000, 0.0000602400000000, 0.0026622600000000 ] - [ -0.0023000300000000, 0.0000000000000000, 0.0027540200000000 ] - [ -0.0015430600000000, 0.0000000000000000, 0.0022375100000000 ] - [ -0.0021491500000000, 0.0000000000000000, 0.0024339600000000 ] - [ -0.0016519900000000, 0.0000000000000000, 0.0023001400000000 ] - [ 0.0012921600000000, -0.0004387700000000, -0.0022346000000000 ] - [ 0.0022077000000000, 0.0001754600000000, -0.0025414100000000 ] - [ 0.0012921600000000, 0.0004387700000000, -0.0022346000000000 ] - [ 0.0022077000000000, -0.0001754600000000, -0.0025414100000000 ] - [ 0.0044705800000000, 0.0048186500000000, 0.0046704400000000 ] - [ 0.0025691000000000, -0.0001698900000000, 0.0023971900000000 ] - [ 0.0044705800000000, -0.0048186500000000, 0.0046704400000000 ] - [ 0.0025691000000000, 0.0001698900000000, 0.0023971900000000 ] - [ -0.0014283300000000, 0.0008121800000000, 0.0014731300000000 ] - [ -0.0002727600000000, -0.0001442500000000, 0.0001245300000000 ] - [ -0.0014283300000000, -0.0008121800000000, 0.0014731300000000 ] - [ -0.0002727600000000, 0.0001442500000000, 0.0001245300000000 ] - [ 0.0049492800000000, 0.0000000000000000, 0.0008954000000000 ] - [ 0.0058775100000000, 0.0000000000000000, -0.0031810500000000 ] - [ 0.0009159100000000, 0.0000000000000000, -0.0002010500000000 ] - [ 0.0013944900000000, 0.0000000000000000, -0.0005934100000000 ] - [ -0.0009206100000000, -0.0003371600000000, -0.0008934700000000 ] - [ -0.0004567100000000, 0.0000190200000000, -0.0001269200000000 ] - [ -0.0009206100000000, 0.0003371600000000, -0.0008934700000000 ] - [ -0.0004567100000000, -0.0000190200000000, -0.0001269200000000 ] - [ -0.0027259500000000, 0.0000000000000000, 0.0046591400000000 ] - [ 0.0013817300000000, 0.0000000000000000, 0.0004950100000000 ] - [ -0.0000132900000000, 0.0000000000000000, 0.0000894700000000 ] - [ 0.0011703100000000, 0.0000000000000000, 0.0004899400000000 ] - [ -0.0020478300000000, -0.0053955900000000, 0.0009305100000000 ] - [ 0.0011664000000000, 0.0000328700000000, -0.0006587600000000 ] - [ -0.0020478300000000, 0.0053955900000000, 0.0009305100000000 ] - [ 0.0011664000000000, -0.0000328700000000, -0.0006587600000000 ] - [ -0.0008517300000000, 0.0000000000000000, -0.0081462700000000 ] - [ 0.0003275600000000, 0.0000000000000000, 0.0004657900000000 ] - [ -0.0009288100000000, 0.0000000000000000, 0.0004464800000000 ] - [ -0.0000419800000000, 0.0000000000000000, 0.0003706100000000 ] - [ 0.0007485900000000, -0.0001931000000000, 0.0006408500000000 ] - [ 0.0008742700000000, 0.0004491200000000, -0.0004867100000000 ] - [ 0.0007485900000000, 0.0001931000000000, 0.0006408500000000 ] - [ 0.0008742700000000, -0.0004491200000000, -0.0004867100000000 ] - [ -0.0005665100000000, 0.0000000000000000, 0.0000829500000000 ] - [ -0.0001238400000000, 0.0000000000000000, -0.0005087100000000 ] - [ -0.0006406500000000, 0.0000000000000000, -0.0003733200000000 ] - [ -0.0003109200000000, 0.0000000000000000, -0.0005494200000000 ]- atom: 69 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004335200000000, 0.0086815400000000, -0.0006129000000000 ] - [ 0.0005825100000000, 0.0077281700000000, -0.0011382800000000 ] - [ -0.0002453000000000, 0.0079625900000000, -0.0010491300000000 ] - [ 0.0005673900000000, 0.0076943700000000, -0.0010930900000000 ] - [ 0.0005986900000000, 0.0080105800000000, 0.0009571800000000 ] - [ 0.0000861300000000, 0.0075302000000000, 0.0024182000000000 ] - [ 0.0005774500000000, 0.0074426400000000, 0.0009622000000000 ] - [ 0.0005971500000000, 0.0079704800000000, 0.0012233700000000 ] - [ -0.0171667900000000, -0.0119971300000000, 0.0146842500000000 ] - [ 0.0008330000000000, 0.0074213400000000, -0.0012115100000000 ] - [ -0.0021760800000000, 0.0064846200000000, -0.0004519200000000 ] - [ 0.0002540000000000, 0.0079478900000000, -0.0009592500000000 ] - [ -0.0004335200000000, -0.0086815400000000, -0.0006129000000000 ] - [ 0.0005825100000000, -0.0077281700000000, -0.0011382800000000 ] - [ -0.0002453000000000, -0.0079625900000000, -0.0010491300000000 ] - [ 0.0005673900000000, -0.0076943700000000, -0.0010930900000000 ] - [ -0.0003436700000000, -0.0080480400000000, 0.0010692800000000 ] - [ 0.0000411500000000, -0.0077398500000000, 0.0010135300000000 ] - [ -0.0005455500000000, -0.0076272600000000, 0.0014289400000000 ] - [ 0.0001735300000000, -0.0080712000000000, 0.0007457400000000 ] - [ -0.0021760800000000, -0.0064846200000000, -0.0004519200000000 ] - [ 0.0002540000000000, -0.0079478900000000, -0.0009592500000000 ] - [ -0.0171667900000000, 0.0119971300000000, 0.0146842500000000 ] - [ 0.0008330000000000, -0.0074213400000000, -0.0012115100000000 ] - [ 0.0005986900000000, -0.0080105800000000, 0.0009571800000000 ] - [ 0.0000861300000000, -0.0075302000000000, 0.0024182000000000 ] - [ 0.0005774500000000, -0.0074426400000000, 0.0009622000000000 ] - [ 0.0005971500000000, -0.0079704800000000, 0.0012233700000000 ] - [ -0.0005455500000000, 0.0076272600000000, 0.0014289400000000 ] - [ 0.0001735300000000, 0.0080712000000000, 0.0007457400000000 ] - [ -0.0003436700000000, 0.0080480400000000, 0.0010692800000000 ] - [ 0.0000411500000000, 0.0077398500000000, 0.0010135300000000 ] - [ 0.0053932400000000, -0.0000568400000000, 0.0100617900000000 ] - [ 0.0043919300000000, -0.0000463300000000, 0.0100147800000000 ] - [ 0.0053932400000000, 0.0000568400000000, 0.0100617900000000 ] - [ 0.0043919300000000, 0.0000463300000000, 0.0100147800000000 ] - [ -0.0050187500000000, 0.0000000000000000, -0.0104585900000000 ] - [ -0.0044891300000000, 0.0000000000000000, -0.0096096500000000 ] - [ -0.0049363400000000, 0.0000000000000000, -0.0102183400000000 ] - [ -0.0048741900000000, 0.0000000000000000, -0.0100014600000000 ] - [ 0.0053684000000000, -0.0016179700000000, -0.0109092600000000 ] - [ 0.0056381600000000, 0.0000363300000000, -0.0100195300000000 ] - [ 0.0053684000000000, 0.0016179700000000, -0.0109092600000000 ] - [ 0.0056381600000000, -0.0000363300000000, -0.0100195300000000 ] - [ -0.0187310600000000, 0.0000000000000000, -0.0222816300000000 ] - [ 0.0003725100000000, 0.0000000000000000, -0.0017983100000000 ] - [ -0.0021346300000000, 0.0000000000000000, -0.0008636900000000 ] - [ -0.0009244500000000, 0.0000000000000000, -0.0013507300000000 ] - [ 0.0010093300000000, -0.0002116600000000, -0.0016424300000000 ] - [ 0.0019256800000000, 0.0000091000000000, -0.0014552100000000 ] - [ 0.0010093300000000, 0.0002116600000000, -0.0016424300000000 ] - [ 0.0019256800000000, -0.0000091000000000, -0.0014552100000000 ] - [ -0.0012537900000000, 0.0000000000000000, 0.0017681600000000 ] - [ -0.0012021500000000, 0.0000000000000000, 0.0013716400000000 ] - [ -0.0016690300000000, 0.0000000000000000, 0.0015419700000000 ] - [ -0.0013097500000000, 0.0000000000000000, 0.0013752700000000 ] - [ 0.0020750200000000, -0.0004305100000000, 0.0012377000000000 ] - [ 0.0018948200000000, 0.0001185600000000, 0.0011992000000000 ] - [ 0.0020750200000000, 0.0004305100000000, 0.0012377000000000 ] - [ 0.0018948200000000, -0.0001185600000000, 0.0011992000000000 ] - [ -0.1206053700000000, 0.0000000000000000, 0.0004407400000000 ] - [ -0.0038414300000000, 0.0000000000000000, 0.0101279000000000 ] - [ -0.0065201500000000, 0.0000000000000000, 0.0097762400000000 ] - [ -0.0044258000000000, 0.0000000000000000, 0.0100086800000000 ] - [ -0.0036887800000000, 0.0000000000000000, -0.0012509100000000 ] - [ -0.0094410100000000, 0.0000000000000000, -0.0106760200000000 ] - [ -0.0022110700000000, 0.0000000000000000, -0.0025571800000000 ] - [ -0.0020594800000000, 0.0000000000000000, -0.0024242300000000 ] - [ 0.1836217200000000, 0.0000000000000000, 0.0102425900000000 ] - [ -0.0017277200000000, 0.0000000000000000, 0.0025269200000000 ] - [ 0.0037378600000000, 0.0000000000000000, 0.0012780300000000 ] - [ -0.0009726800000000, 0.0000000000000000, 0.0028106600000000 ] - [ -0.0008987500000000, 0.0009842900000000, -0.0023581200000000 ] - [ -0.0010238500000000, -0.0003241000000000, -0.0032855300000000 ] - [ -0.0008987500000000, -0.0009842900000000, -0.0023581200000000 ] - [ -0.0010238500000000, 0.0003241000000000, -0.0032855300000000 ] - [ -0.0006372800000000, 0.0000000000000000, -0.0029147300000000 ] - [ -0.0006347100000000, 0.0000000000000000, -0.0022767000000000 ] - [ -0.0004519300000000, 0.0000000000000000, -0.0029643500000000 ] - [ -0.0004520800000000, 0.0000000000000000, -0.0026136900000000 ] - [ 0.0011411500000000, 0.0004671500000000, 0.0026741500000000 ] - [ -0.0003095100000000, 0.0000597400000000, 0.0029033700000000 ] - [ 0.0011411500000000, -0.0004671500000000, 0.0026741500000000 ] - [ -0.0003095100000000, -0.0000597400000000, 0.0029033700000000 ] - [ -0.0014425700000000, 0.0000000000000000, 0.0019739000000000 ] - [ -0.0021947400000000, 0.0000000000000000, 0.0024994800000000 ] - [ -0.0015913200000000, 0.0000000000000000, 0.0022942900000000 ] - [ -0.0020888500000000, 0.0000000000000000, 0.0024316900000000 ] - [ 0.0024537300000000, 0.0004398500000000, -0.0024899000000000 ] - [ 0.0015317900000000, -0.0001747100000000, -0.0021875500000000 ] - [ 0.0024537300000000, -0.0004398500000000, -0.0024899000000000 ] - [ 0.0015317900000000, 0.0001747100000000, -0.0021875500000000 ] - [ -0.0007325500000000, -0.0048223500000000, 0.0000295900000000 ] - [ 0.0011623600000000, 0.0001688200000000, 0.0023383400000000 ] - [ -0.0007325500000000, 0.0048223500000000, 0.0000295900000000 ] - [ 0.0011623600000000, -0.0001688200000000, 0.0023383400000000 ] - [ -0.0001965300000000, -0.0008190700000000, -0.0007667600000000 ] - [ -0.0013520200000000, 0.0001438600000000, 0.0005868100000000 ] - [ -0.0001965300000000, 0.0008190700000000, -0.0007667600000000 ] - [ -0.0013520200000000, -0.0001438600000000, 0.0005868100000000 ] - [ -0.0033132000000000, 0.0000000000000000, -0.0015973100000000 ] - [ -0.0042137500000000, 0.0000000000000000, 0.0024358900000000 ] - [ 0.0007065100000000, 0.0000000000000000, -0.0005097300000000 ] - [ 0.0002293100000000, 0.0000000000000000, -0.0001184600000000 ] - [ -0.0007023200000000, 0.0003383600000000, 0.0001859900000000 ] - [ -0.0011658600000000, -0.0000193800000000, -0.0005836700000000 ] - [ -0.0007023200000000, -0.0003383600000000, 0.0001859900000000 ] - [ -0.0011658600000000, 0.0000193800000000, -0.0005836700000000 ] - [ 0.0043771500000000, 0.0000000000000000, -0.0039549000000000 ] - [ 0.0002425200000000, 0.0000000000000000, 0.0002164000000000 ] - [ 0.0016404400000000, 0.0000000000000000, 0.0006219900000000 ] - [ 0.0004527500000000, 0.0000000000000000, 0.0002210700000000 ] - [ 0.0030501600000000, 0.0054232800000000, -0.0019179300000000 ] - [ -0.0001729000000000, -0.0000332700000000, -0.0003243600000000 ] - [ 0.0030501600000000, -0.0054232800000000, -0.0019179300000000 ] - [ -0.0001729000000000, 0.0000332700000000, -0.0003243600000000 ] - [ -0.0001453400000000, 0.0000000000000000, 0.0091928400000000 ] - [ -0.0013180100000000, 0.0000000000000000, 0.0005171100000000 ] - [ -0.0000624300000000, 0.0000000000000000, 0.0005383500000000 ] - [ -0.0009512500000000, 0.0000000000000000, 0.0006127600000000 ] - [ 0.0002440000000000, 0.0001925200000000, 0.0003434400000000 ] - [ 0.0001167400000000, -0.0004527000000000, 0.0014816300000000 ] - [ 0.0002440000000000, -0.0001925200000000, 0.0003434400000000 ] - [ 0.0001167400000000, 0.0004527000000000, 0.0014816300000000 ] - [ -0.0004279500000000, 0.0000000000000000, -0.0010717800000000 ] - [ -0.0008698600000000, 0.0000000000000000, -0.0004738700000000 ] - [ -0.0003514500000000, 0.0000000000000000, -0.0006104700000000 ] - [ -0.0006819200000000, 0.0000000000000000, -0.0004341600000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000312300000000, 0.0081372100000000, -0.0010519700000000 ] - [ 0.0002271600000000, 0.0078008700000000, -0.0010516000000000 ] - [ 0.0003811000000000, 0.0074282800000000, -0.0010732100000000 ] - [ 0.0002931300000000, 0.0077360600000000, -0.0010783300000000 ] - [ 0.0001624500000000, 0.0079746600000000, 0.0010846800000000 ] - [ -0.0009036900000000, 0.0093768500000000, 0.0010114500000000 ] - [ 0.0004910700000000, 0.0074689600000000, 0.0010543800000000 ] - [ 0.0002665500000000, 0.0073233400000000, 0.0006038900000000 ] - [ 0.0194194600000000, 0.0480560400000000, -0.0293916600000000 ] - [ -0.0003261200000000, 0.0079921900000000, -0.0010376900000000 ] - [ -0.0011429100000000, 0.0060066600000000, -0.0011509200000000 ] - [ -0.0000924100000000, 0.0075536900000000, -0.0010939800000000 ] - [ 0.0004386000000000, -0.0073854200000000, -0.0010841200000000 ] - [ 0.0002419000000000, -0.0077243300000000, -0.0010827800000000 ] - [ 0.0000876400000000, -0.0080994700000000, -0.0010623700000000 ] - [ 0.0001773100000000, -0.0077873800000000, -0.0010589400000000 ] - [ -0.0001993500000000, -0.0080205500000000, 0.0010273900000000 ] - [ -0.0005092900000000, -0.0080426200000000, 0.0011225000000000 ] - [ 0.0000537300000000, -0.0074056600000000, 0.0013159900000000 ] - [ -0.0003336500000000, -0.0072889500000000, 0.0012652600000000 ] - [ 0.0006593000000000, -0.0095119000000000, -0.0009683100000000 ] - [ -0.0003760000000000, -0.0079722300000000, -0.0010406500000000 ] - [ -0.0188925900000000, 0.0311712000000000, 0.0260292100000000 ] - [ -0.0001439400000000, -0.0075363300000000, -0.0010958000000000 ] - [ 0.0003079200000000, -0.0075458000000000, 0.0010505600000000 ] - [ 0.0013729700000000, -0.0061388600000000, 0.0011238600000000 ] - [ -0.0000179400000000, -0.0080538500000000, 0.0010801100000000 ] - [ 0.0002015300000000, -0.0082024700000000, 0.0015280900000000 ] - [ -0.0005220300000000, 0.0081212500000000, 0.0008179100000000 ] - [ -0.0001361400000000, 0.0082318700000000, 0.0008730000000000 ] - [ -0.0002688800000000, 0.0075053300000000, 0.0011073000000000 ] - [ 0.0000423000000000, 0.0074817200000000, 0.0010120600000000 ] - [ 0.0050738400000000, -0.0000073100000000, 0.0100398300000000 ] - [ 0.0052502300000000, 0.0000271700000000, 0.0107350400000000 ] - [ 0.0049799500000000, -0.0000075300000000, 0.0100911600000000 ] - [ 0.0048001300000000, 0.0000268900000000, 0.0093904700000000 ] - [ -0.0050264600000000, 0.0004445200000000, -0.0100645700000000 ] - [ -0.0050275800000000, 0.0000071400000000, -0.0100669400000000 ] - [ -0.0050265800000000, -0.0007972200000000, -0.0100664300000000 ] - [ -0.0050263500000000, -0.0000543900000000, -0.0100664800000000 ] - [ 0.0061592200000000, 0.0000950300000000, -0.0102558100000000 ] - [ 0.0047153900000000, 0.0002338000000000, -0.0106842600000000 ] - [ 0.0039085100000000, 0.0000959900000000, -0.0098808200000000 ] - [ 0.0053409400000000, 0.0002336400000000, -0.0094493700000000 ] - [ -0.0015345900000000, 0.0079975500000000, -0.0016243100000000 ] - [ -0.0014812000000000, 0.0000956200000000, -0.0014078500000000 ] - [ -0.0014782300000000, -0.0011899300000000, -0.0014066500000000 ] - [ -0.0014779500000000, -0.0001066000000000, -0.0014083100000000 ] - [ 0.0016320300000000, 0.0001142200000000, -0.0011891400000000 ] - [ 0.0014733200000000, -0.0000038700000000, -0.0014362900000000 ] - [ 0.0013237400000000, 0.0001135800000000, -0.0016264500000000 ] - [ 0.0014832000000000, -0.0000036700000000, -0.0013808900000000 ] - [ -0.0014789800000000, 0.0000935500000000, 0.0014072700000000 ] - [ -0.0014766300000000, 0.0000180000000000, 0.0014079700000000 ] - [ -0.0014778800000000, -0.0001033000000000, 0.0014082300000000 ] - [ -0.0014788300000000, -0.0000227400000000, 0.0014074400000000 ] - [ 0.0021306600000000, 0.0000598800000000, 0.0013901400000000 ] - [ -0.0010078100000000, -0.0003296800000000, 0.0000869700000000 ] - [ 0.0008317500000000, 0.0000595200000000, 0.0014248700000000 ] - [ 0.0039626200000000, -0.0003279300000000, 0.0027322500000000 ] - [ -0.0047314800000000, 0.0092971900000000, 0.0100828000000000 ] - [ -0.0050291800000000, 0.0001746000000000, 0.0100667100000000 ] - [ -0.0050302100000000, -0.0011706700000000, 0.0100660400000000 ] - [ -0.0050265400000000, -0.0000662300000000, 0.0100666600000000 ] - [ -0.0018686200000000, -0.0000672100000000, -0.0023667000000000 ] - [ -0.0018899200000000, -0.0004037000000000, -0.0023653300000000 ] - [ -0.0018717100000000, 0.0002745600000000, -0.0023628300000000 ] - [ -0.0018710600000000, 0.0011979300000000, -0.0023628400000000 ] - [ -0.0014790100000000, -0.1139761900000000, 0.0042691800000000 ] - [ -0.0002350100000000, -0.0003417900000000, 0.0027817700000000 ] - [ -0.0002296800000000, 0.0026294700000000, 0.0027704500000000 ] - [ -0.0002375800000000, 0.0001633000000000, 0.0027812300000000 ] - [ -0.0007564800000000, -0.0003425600000000, -0.0029388500000000 ] - [ 0.0005620000000000, -0.0010708400000000, 0.0000144400000000 ] - [ 0.0012106400000000, -0.0003380700000000, -0.0026300200000000 ] - [ -0.0000917400000000, -0.0010661300000000, -0.0055772600000000 ] - [ -0.0002363600000000, -0.0000061300000000, -0.0027829400000000 ] - [ -0.0002384600000000, -0.0000063300000000, -0.0027823200000000 ] - [ -0.0002355700000000, 0.0003122100000000, -0.0027821000000000 ] - [ -0.0002365900000000, 0.0003126700000000, -0.0027817700000000 ] - [ -0.0002321700000000, -0.0000907600000000, 0.0027242100000000 ] - [ 0.0001745400000000, 0.0000434700000000, 0.0028008100000000 ] - [ 0.0006997300000000, -0.0000884900000000, 0.0028387100000000 ] - [ 0.0002942500000000, 0.0000431700000000, 0.0027629200000000 ] - [ -0.0018728100000000, -0.0002671600000000, 0.0023589000000000 ] - [ -0.0018723000000000, -0.0000520800000000, 0.0023598200000000 ] - [ -0.0018718900000000, 0.0003166800000000, 0.0023592900000000 ] - [ -0.0018712600000000, 0.0000015800000000, 0.0023631100000000 ] - [ 0.0015884200000000, -0.0001170800000000, -0.0022074900000000 ] - [ 0.0020051400000000, -0.0001400600000000, -0.0024851100000000 ] - [ 0.0021576000000000, -0.0001157900000000, -0.0025169600000000 ] - [ 0.0017392300000000, -0.0001422800000000, -0.0022363500000000 ] - [ 0.0063538000000000, 0.0104950900000000, 0.0066333200000000 ] - [ 0.0018119700000000, 0.0000652200000000, 0.0021742500000000 ] - [ -0.0025563300000000, 0.0104175200000000, -0.0019366800000000 ] - [ 0.0019304100000000, 0.0000660900000000, 0.0025420800000000 ] - [ -0.0009946600000000, -0.0007451100000000, 0.0014015400000000 ] - [ -0.0007569400000000, 0.0000004100000000, 0.0004369400000000 ] - [ -0.0006276700000000, -0.0007427000000000, -0.0006832500000000 ] - [ -0.0008668900000000, 0.0000012000000000, 0.0002726900000000 ] - [ 0.0008196400000000, 0.0002793400000000, -0.0003524900000000 ] - [ 0.0008069700000000, -0.0053245200000000, -0.0003531900000000 ] - [ 0.0008118800000000, 0.0000989900000000, -0.0003556600000000 ] - [ 0.0008117700000000, 0.0008981600000000, -0.0003558600000000 ] - [ -0.0008406700000000, -0.0000070000000000, -0.0001980100000000 ] - [ -0.0007668300000000, 0.0000020600000000, -0.0003362200000000 ] - [ -0.0007818000000000, -0.0000057400000000, -0.0005103400000000 ] - [ -0.0008573600000000, 0.0000026600000000, -0.0003752400000000 ] - [ 0.0008146800000000, -0.0028440300000000, 0.0003681600000000 ] - [ 0.0008123200000000, -0.0000630200000000, 0.0003544400000000 ] - [ 0.0008125500000000, 0.0003850000000000, 0.0003545300000000 ] - [ 0.0008116400000000, 0.0001097500000000, 0.0003545400000000 ] - [ -0.0034372000000000, 0.0027322300000000, -0.0006674900000000 ] - [ 0.0009846600000000, -0.0000647000000000, -0.0006459500000000 ] - [ 0.0044044200000000, 0.0026998500000000, -0.0003276900000000 ] - [ 0.0000086200000000, -0.0000651900000000, -0.0003370400000000 ] - [ -0.0004890600000000, -0.0009554700000000, 0.0004818100000000 ] - [ -0.0004966800000000, -0.0001001700000000, 0.0004912200000000 ] - [ -0.0004960500000000, 0.0003892100000000, 0.0004917600000000 ] - [ -0.0004963400000000, 0.0002007400000000, 0.0004911500000000 ] - [ 0.0004870500000000, -0.0000160400000000, 0.0004855500000000 ] - [ 0.0013302600000000, 0.0008456500000000, -0.0012636200000000 ] - [ 0.0005061300000000, -0.0000154000000000, 0.0004976300000000 ] - [ -0.0003411700000000, 0.0008489600000000, 0.0022580700000000 ] - [ -0.0004975400000000, -0.0002231300000000, -0.0004953700000000 ] - [ -0.0004958800000000, -0.0000575100000000, -0.0004921000000000 ] - [ -0.0004961900000000, 0.0003365400000000, -0.0004919500000000 ] - [ -0.0004963200000000, 0.0000454900000000, -0.0004920800000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003813000000000, 0.0074358700000000, -0.0019099200000000 ] - [ 0.0001458000000000, 0.0077778000000000, -0.0010867900000000 ] - [ 0.0003344600000000, 0.0075916400000000, -0.0013752900000000 ] - [ 0.0000649500000000, 0.0076860700000000, -0.0012057800000000 ] - [ 0.0009192400000000, 0.0081629800000000, 0.0012045600000000 ] - [ -0.0020770600000000, 0.0110045900000000, 0.0013627700000000 ] - [ 0.0004364800000000, 0.0075942500000000, 0.0010872500000000 ] - [ -0.0001037100000000, 0.0070934200000000, 0.0020245700000000 ] - [ -0.0142644800000000, -0.0179699900000000, 0.0338313100000000 ] - [ 0.0000213900000000, 0.0075305900000000, -0.0012538500000000 ] - [ -0.0008303600000000, 0.0070445600000000, 0.0012544000000000 ] - [ -0.0001873200000000, 0.0077743700000000, -0.0010178300000000 ] - [ 0.0003813000000000, -0.0074358700000000, -0.0019099200000000 ] - [ 0.0001458000000000, -0.0077778000000000, -0.0010867900000000 ] - [ 0.0003344600000000, -0.0075916400000000, -0.0013752900000000 ] - [ 0.0000649500000000, -0.0076860700000000, -0.0012057800000000 ] - [ -0.0003489400000000, -0.0077130100000000, 0.0009410400000000 ] - [ -0.0001083300000000, -0.0078434600000000, 0.0008936400000000 ] - [ -0.0009318700000000, -0.0080235700000000, 0.0008064000000000 ] - [ -0.0001021000000000, -0.0079115100000000, 0.0008341300000000 ] - [ -0.0008303600000000, -0.0070445600000000, 0.0012544000000000 ] - [ -0.0001873200000000, -0.0077743700000000, -0.0010178300000000 ] - [ -0.0142644800000000, 0.0179699900000000, 0.0338313100000000 ] - [ 0.0000213900000000, -0.0075305900000000, -0.0012538500000000 ] - [ 0.0009192400000000, -0.0081629800000000, 0.0012045600000000 ] - [ -0.0020770600000000, -0.0110045900000000, 0.0013627700000000 ] - [ 0.0004364800000000, -0.0075942500000000, 0.0010872500000000 ] - [ -0.0001037100000000, -0.0070934200000000, 0.0020245700000000 ] - [ -0.0009318700000000, 0.0080235700000000, 0.0008064000000000 ] - [ -0.0001021000000000, 0.0079115100000000, 0.0008341300000000 ] - [ -0.0003489400000000, 0.0077130100000000, 0.0009410400000000 ] - [ -0.0001083300000000, 0.0078434600000000, 0.0008936400000000 ] - [ 0.0049565300000000, 0.0000065500000000, 0.0099998600000000 ] - [ 0.0050820000000000, -0.0001221700000000, 0.0096297600000000 ] - [ 0.0049565300000000, -0.0000065500000000, 0.0099998600000000 ] - [ 0.0050820000000000, 0.0001221700000000, 0.0096297600000000 ] - [ -0.0047151600000000, 0.0000000000000000, -0.0106036800000000 ] - [ -0.0051587500000000, 0.0000000000000000, -0.0099277100000000 ] - [ -0.0049396300000000, 0.0000000000000000, -0.0102130500000000 ] - [ -0.0051204100000000, 0.0000000000000000, -0.0101668300000000 ] - [ 0.0058341400000000, -0.0000993100000000, -0.0095031100000000 ] - [ 0.0045483500000000, -0.0006460100000000, -0.0091558000000000 ] - [ 0.0058341400000000, 0.0000993100000000, -0.0095031100000000 ] - [ 0.0045483500000000, 0.0006460100000000, -0.0091558000000000 ] - [ 0.0132192100000000, 0.0000000000000000, 0.0843757600000000 ] - [ -0.0020150700000000, 0.0000000000000000, -0.0011692500000000 ] - [ -0.0012027000000000, 0.0000000000000000, -0.0004934400000000 ] - [ -0.0015306200000000, 0.0000000000000000, -0.0012479600000000 ] - [ 0.0015532400000000, 0.0000426900000000, -0.0018199800000000 ] - [ 0.0014048300000000, 0.0000018100000000, -0.0015265500000000 ] - [ 0.0015532400000000, -0.0000426900000000, -0.0018199800000000 ] - [ 0.0014048300000000, -0.0000018100000000, -0.0015265500000000 ] - [ -0.0019651000000000, 0.0000000000000000, 0.0010530100000000 ] - [ -0.0014872600000000, 0.0000000000000000, 0.0011936100000000 ] - [ -0.0015088700000000, 0.0000000000000000, 0.0012317200000000 ] - [ -0.0013736300000000, 0.0000000000000000, 0.0012649900000000 ] - [ 0.0009893300000000, -0.0000250000000000, 0.0016190000000000 ] - [ 0.0029797800000000, 0.0002511400000000, 0.0040559900000000 ] - [ 0.0009893300000000, 0.0000250000000000, 0.0016190000000000 ] - [ 0.0029797800000000, -0.0002511400000000, 0.0040559900000000 ] - [ 0.0070338900000000, 0.0000000000000000, 0.0213018900000000 ] - [ -0.0052724500000000, 0.0000000000000000, 0.0100400400000000 ] - [ -0.0055419300000000, 0.0000000000000000, 0.0105691600000000 ] - [ -0.0048888600000000, 0.0000000000000000, 0.0102059400000000 ] - [ -0.0016838000000000, 0.0000000000000000, -0.0030161400000000 ] - [ 0.0151337200000000, 0.0000000000000000, -0.0064385000000000 ] - [ -0.0018500900000000, 0.0000000000000000, -0.0025920600000000 ] - [ -0.0024839500000000, 0.0000000000000000, -0.0034085300000000 ] - [ -0.0087527100000000, 0.0000000000000000, -0.1541639700000000 ] - [ 0.0000255600000000, 0.0000000000000000, 0.0031799100000000 ] - [ 0.0012711200000000, 0.0000000000000000, 0.0003940200000000 ] - [ -0.0002619700000000, 0.0000000000000000, 0.0026136600000000 ] - [ -0.0001926300000000, -0.0001553600000000, -0.0031897400000000 ] - [ 0.0007352200000000, 0.0027978400000000, -0.0065271900000000 ] - [ -0.0001926300000000, 0.0001553600000000, -0.0031897400000000 ] - [ 0.0007352200000000, -0.0027978400000000, -0.0065271900000000 ] - [ 0.0002696400000000, 0.0000000000000000, -0.0026119600000000 ] - [ -0.0003668700000000, 0.0000000000000000, -0.0026110100000000 ] - [ -0.0000641300000000, 0.0000000000000000, -0.0026035200000000 ] - [ -0.0004178900000000, 0.0000000000000000, -0.0026016700000000 ] - [ 0.0001310800000000, 0.0000600800000000, 0.0032076200000000 ] - [ 0.0003529100000000, -0.0000188600000000, 0.0029088800000000 ] - [ 0.0001310800000000, -0.0000600800000000, 0.0032076200000000 ] - [ 0.0003529100000000, 0.0000188600000000, 0.0029088800000000 ] - [ -0.0019997600000000, 0.0000000000000000, 0.0027490000000000 ] - [ -0.0018593900000000, 0.0000000000000000, 0.0023590300000000 ] - [ -0.0018976800000000, 0.0000000000000000, 0.0024669000000000 ] - [ -0.0019302600000000, 0.0000000000000000, 0.0024659700000000 ] - [ 0.0018770000000000, -0.0001325700000000, -0.0021582100000000 ] - [ 0.0018029600000000, -0.0000592800000000, -0.0023001600000000 ] - [ 0.0018770000000000, 0.0001325700000000, -0.0021582100000000 ] - [ 0.0018029600000000, 0.0000592800000000, -0.0023001600000000 ] - [ 0.0008877200000000, -0.0029172400000000, -0.0080095800000000 ] - [ 0.0020423500000000, 0.0001096200000000, 0.0024287000000000 ] - [ 0.0008877200000000, 0.0029172400000000, -0.0080095800000000 ] - [ 0.0020423500000000, -0.0001096200000000, 0.0024287000000000 ] - [ -0.0005679900000000, 0.0029749500000000, 0.0011043700000000 ] - [ -0.0008837700000000, 0.0000078100000000, 0.0003514300000000 ] - [ -0.0005679900000000, -0.0029749500000000, 0.0011043700000000 ] - [ -0.0008837700000000, -0.0000078100000000, 0.0003514300000000 ] - [ 0.0002291100000000, 0.0000000000000000, -0.0001946900000000 ] - [ -0.0031561600000000, 0.0000000000000000, -0.0006870400000000 ] - [ 0.0009959200000000, 0.0000000000000000, -0.0003994000000000 ] - [ 0.0002099800000000, 0.0000000000000000, -0.0001559200000000 ] - [ -0.0008083200000000, 0.0000263300000000, -0.0002059600000000 ] - [ -0.0005113300000000, 0.0001534400000000, 0.0001465700000000 ] - [ -0.0008083200000000, -0.0000263300000000, -0.0002059600000000 ] - [ -0.0005113300000000, -0.0001534400000000, 0.0001465700000000 ] - [ 0.0041334000000000, 0.0000000000000000, 0.0076793200000000 ] - [ 0.0007365000000000, 0.0000000000000000, 0.0002849600000000 ] - [ 0.0009882500000000, 0.0000000000000000, 0.0008034300000000 ] - [ 0.0007947900000000, 0.0000000000000000, 0.0003649600000000 ] - [ 0.0021229400000000, -0.0007794100000000, -0.0012927600000000 ] - [ 0.0002067600000000, 0.0000808400000000, -0.0005741500000000 ] - [ 0.0021229400000000, 0.0007794100000000, -0.0012927600000000 ] - [ 0.0002067600000000, -0.0000808400000000, -0.0005741500000000 ] - [ -0.0072592400000000, 0.0000000000000000, 0.0031570500000000 ] - [ 0.0005812600000000, 0.0000000000000000, 0.0004080700000000 ] - [ -0.0003617200000000, 0.0000000000000000, 0.0002798900000000 ] - [ -0.0004329500000000, 0.0000000000000000, 0.0004351400000000 ] - [ 0.0006291700000000, -0.0000030500000000, 0.0005335200000000 ] - [ 0.0001958500000000, -0.0002049200000000, 0.0012597100000000 ] - [ 0.0006291700000000, 0.0000030500000000, 0.0005335200000000 ] - [ 0.0001958500000000, 0.0002049200000000, 0.0012597100000000 ] - [ -0.0002276800000000, 0.0000000000000000, 0.0009107500000000 ] - [ -0.0003957700000000, 0.0000000000000000, -0.0004282500000000 ] - [ -0.0005034000000000, 0.0000000000000000, -0.0004029400000000 ] - [ -0.0004316600000000, 0.0000000000000000, -0.0003963900000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000827600000000, 0.0081041900000000, -0.0002150200000000 ] - [ 0.0003248200000000, 0.0077465500000000, -0.0010504800000000 ] - [ 0.0001342100000000, 0.0079313100000000, -0.0007617300000000 ] - [ 0.0004052500000000, 0.0078381800000000, -0.0009305300000000 ] - [ -0.0004461000000000, 0.0073629400000000, 0.0009335300000000 ] - [ 0.0025453100000000, 0.0045178300000000, 0.0007746100000000 ] - [ 0.0000333400000000, 0.0079303900000000, 0.0010475900000000 ] - [ 0.0005712700000000, 0.0084295500000000, 0.0001119700000000 ] - [ 0.0142460900000000, 0.0342349300000000, -0.0362166600000000 ] - [ -0.0004900400000000, 0.0079975400000000, -0.0008794600000000 ] - [ 0.0003562400000000, 0.0084727900000000, -0.0033810400000000 ] - [ -0.0002805200000000, 0.0077528000000000, -0.0011156600000000 ] - [ 0.0000827600000000, -0.0081041900000000, -0.0002150200000000 ] - [ 0.0003248200000000, -0.0077465500000000, -0.0010504800000000 ] - [ 0.0001342100000000, -0.0079313100000000, -0.0007617300000000 ] - [ 0.0004052500000000, -0.0078381800000000, -0.0009305300000000 ] - [ -0.0001202000000000, -0.0078130500000000, 0.0011923800000000 ] - [ -0.0003577200000000, -0.0076828100000000, 0.0012387800000000 ] - [ 0.0004724300000000, -0.0074964900000000, 0.0013329800000000 ] - [ -0.0003649400000000, -0.0076148500000000, 0.0012985900000000 ] - [ 0.0003562400000000, -0.0084727900000000, -0.0033810400000000 ] - [ -0.0002805200000000, -0.0077528000000000, -0.0011156600000000 ] - [ 0.0142460900000000, -0.0342349300000000, -0.0362166600000000 ] - [ -0.0004900400000000, -0.0079975400000000, -0.0008794600000000 ] - [ -0.0004461000000000, -0.0073629400000000, 0.0009335300000000 ] - [ 0.0025453100000000, -0.0045178300000000, 0.0007746100000000 ] - [ 0.0000333400000000, -0.0079303900000000, 0.0010475900000000 ] - [ 0.0005712700000000, -0.0084295500000000, 0.0001119700000000 ] - [ 0.0004724300000000, 0.0074964900000000, 0.0013329800000000 ] - [ -0.0003649400000000, 0.0076148500000000, 0.0012985900000000 ] - [ -0.0001202000000000, 0.0078130500000000, 0.0011923800000000 ] - [ -0.0003577200000000, 0.0076828100000000, 0.0012387800000000 ] - [ 0.0050975900000000, -0.0000067100000000, 0.0101325700000000 ] - [ 0.0049664400000000, 0.0001221300000000, 0.0104931100000000 ] - [ 0.0050975900000000, 0.0000067100000000, 0.0101325700000000 ] - [ 0.0049664400000000, -0.0001221300000000, 0.0104931100000000 ] - [ -0.0053423300000000, 0.0000000000000000, -0.0095255000000000 ] - [ -0.0048923200000000, 0.0000000000000000, -0.0102068700000000 ] - [ -0.0051139000000000, 0.0000000000000000, -0.0099216100000000 ] - [ -0.0049324100000000, 0.0000000000000000, -0.0099667000000000 ] - [ 0.0042227600000000, 0.0000970200000000, -0.0106297100000000 ] - [ 0.0055056400000000, 0.0006447800000000, -0.0109767600000000 ] - [ 0.0042227600000000, -0.0000970200000000, -0.0106297100000000 ] - [ 0.0055056400000000, -0.0006447800000000, -0.0109767600000000 ] - [ -0.0146929600000000, 0.0000000000000000, -0.0834172900000000 ] - [ -0.0009459600000000, 0.0000000000000000, -0.0016451400000000 ] - [ -0.0017550500000000, 0.0000000000000000, -0.0023171900000000 ] - [ -0.0014259800000000, 0.0000000000000000, -0.0015688100000000 ] - [ 0.0014002200000000, -0.0000446900000000, -0.0009943100000000 ] - [ 0.0015515400000000, -0.0000019800000000, -0.0012909900000000 ] - [ 0.0014002200000000, 0.0000446900000000, -0.0009943100000000 ] - [ 0.0015515400000000, 0.0000019800000000, -0.0012909900000000 ] - [ -0.0009799600000000, 0.0000000000000000, 0.0017676700000000 ] - [ -0.0014691200000000, 0.0000000000000000, 0.0016208500000000 ] - [ -0.0014484800000000, 0.0000000000000000, 0.0015835400000000 ] - [ -0.0015830200000000, 0.0000000000000000, 0.0015493500000000 ] - [ 0.0019632600000000, 0.0000258200000000, 0.0011994300000000 ] - [ -0.0000203600000000, -0.0002523100000000, -0.0012376800000000 ] - [ 0.0019632600000000, -0.0000258200000000, 0.0011994300000000 ] - [ -0.0000203600000000, 0.0002523100000000, -0.0012376800000000 ] - [ -0.0166023400000000, 0.0000000000000000, -0.0009964400000000 ] - [ -0.0047842200000000, 0.0000000000000000, 0.0100929500000000 ] - [ -0.0045149300000000, 0.0000000000000000, 0.0095680000000000 ] - [ -0.0051644600000000, 0.0000000000000000, 0.0099287700000000 ] - [ -0.0020520500000000, 0.0000000000000000, -0.0017179600000000 ] - [ -0.0187806600000000, 0.0000000000000000, 0.0016797100000000 ] - [ -0.0018934100000000, 0.0000000000000000, -0.0021313100000000 ] - [ -0.0012599000000000, 0.0000000000000000, -0.0013222200000000 ] - [ 0.0053943900000000, 0.0000000000000000, 0.1563926300000000 ] - [ -0.0004918300000000, 0.0000000000000000, 0.0023877900000000 ] - [ -0.0017324800000000, 0.0000000000000000, 0.0051576800000000 ] - [ -0.0002065700000000, 0.0000000000000000, 0.0029516700000000 ] - [ 0.0006575900000000, 0.0001538600000000, -0.0023803100000000 ] - [ -0.0002661300000000, -0.0027936800000000, 0.0009577700000000 ] - [ 0.0006575900000000, -0.0001538600000000, -0.0023803100000000 ] - [ -0.0002661300000000, 0.0027936800000000, 0.0009577700000000 ] - [ -0.0007421100000000, 0.0000000000000000, -0.0029529000000000 ] - [ -0.0001029900000000, 0.0000000000000000, -0.0029511800000000 ] - [ -0.0004016000000000, 0.0000000000000000, -0.0029629800000000 ] - [ -0.0000544300000000, 0.0000000000000000, -0.0029616700000000 ] - [ 0.0003469000000000, -0.0000550800000000, 0.0023568300000000 ] - [ 0.0001132300000000, 0.0000191800000000, 0.0026557900000000 ] - [ 0.0003469000000000, 0.0000550800000000, 0.0023568300000000 ] - [ 0.0001132300000000, -0.0000191800000000, 0.0026557900000000 ] - [ -0.0017453800000000, 0.0000000000000000, 0.0019688300000000 ] - [ -0.0018861800000000, 0.0000000000000000, 0.0023673400000000 ] - [ -0.0018463600000000, 0.0000000000000000, 0.0022567100000000 ] - [ -0.0018122600000000, 0.0000000000000000, 0.0022648900000000 ] - [ 0.0018666100000000, 0.0001369600000000, -0.0025723800000000 ] - [ 0.0019398400000000, 0.0000595200000000, -0.0024174900000000 ] - [ 0.0018666100000000, -0.0001369600000000, -0.0025723800000000 ] - [ 0.0019398400000000, -0.0000595200000000, -0.0024174900000000 ] - [ 0.0028514600000000, 0.0029139400000000, 0.0127260300000000 ] - [ 0.0017014900000000, -0.0001093400000000, 0.0022896200000000 ] - [ 0.0028514600000000, -0.0029139400000000, 0.0127260300000000 ] - [ 0.0017014900000000, 0.0001093400000000, 0.0022896200000000 ] - [ -0.0010516800000000, -0.0029758800000000, -0.0003900700000000 ] - [ -0.0007407800000000, -0.0000077000000000, 0.0003581300000000 ] - [ -0.0010516800000000, 0.0029758800000000, -0.0003900700000000 ] - [ -0.0007407800000000, 0.0000077000000000, 0.0003581300000000 ] - [ 0.0014076900000000, 0.0000000000000000, -0.0005059500000000 ] - [ 0.0047650100000000, 0.0000000000000000, -0.0000204000000000 ] - [ 0.0006281300000000, 0.0000000000000000, -0.0003102400000000 ] - [ 0.0014109700000000, 0.0000000000000000, -0.0005548900000000 ] - [ -0.0008167600000000, -0.0000247000000000, -0.0005050000000000 ] - [ -0.0011131400000000, -0.0001538600000000, -0.0008572800000000 ] - [ -0.0008167600000000, 0.0000247000000000, -0.0005050000000000 ] - [ -0.0011131400000000, 0.0001538600000000, -0.0008572800000000 ] - [ -0.0025507100000000, 0.0000000000000000, -0.0070791800000000 ] - [ 0.0008855900000000, 0.0000000000000000, 0.0004246200000000 ] - [ 0.0006375400000000, 0.0000000000000000, -0.0000895500000000 ] - [ 0.0008275000000000, 0.0000000000000000, 0.0003445800000000 ] - [ -0.0011204600000000, 0.0007635400000000, 0.0003134000000000 ] - [ 0.0007852200000000, -0.0000805600000000, -0.0004101500000000 ] - [ -0.0011204600000000, -0.0007635400000000, 0.0003134000000000 ] - [ 0.0007852200000000, 0.0000805600000000, -0.0004101500000000 ] - [ 0.0062101600000000, 0.0000000000000000, -0.0021458900000000 ] - [ -0.0015704100000000, 0.0000000000000000, 0.0005743000000000 ] - [ -0.0006309500000000, 0.0000000000000000, 0.0007008800000000 ] - [ -0.0005596700000000, 0.0000000000000000, 0.0005469100000000 ] - [ 0.0003621600000000, 0.0000039000000000, 0.0004495300000000 ] - [ 0.0007936200000000, 0.0002003700000000, -0.0002632400000000 ] - [ 0.0003621600000000, -0.0000039000000000, 0.0004495300000000 ] - [ 0.0007936200000000, -0.0002003700000000, -0.0002632400000000 ] - [ -0.0007677400000000, 0.0000000000000000, -0.0019063600000000 ] - [ -0.0005990300000000, 0.0000000000000000, -0.0005563500000000 ] - [ -0.0004882400000000, 0.0000000000000000, -0.0005803500000000 ] - [ -0.0005615300000000, 0.0000000000000000, -0.0005880700000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005974300000000, 0.0075501800000000, -0.0010578900000000 ] - [ 0.0000064600000000, 0.0078021800000000, -0.0011042900000000 ] - [ 0.0013250400000000, 0.0075191200000000, -0.0008164000000000 ] - [ -0.0001822700000000, 0.0077197800000000, -0.0011959600000000 ] - [ 0.0000584400000000, 0.0076797100000000, 0.0009901600000000 ] - [ 0.0003197700000000, 0.0081954400000000, 0.0013050200000000 ] - [ -0.0004951400000000, 0.0082505100000000, 0.0010327200000000 ] - [ 0.0056257600000000, 0.0100600700000000, 0.0024895400000000 ] - [ 0.0002070700000000, 0.0083925600000000, -0.0005588700000000 ] - [ -0.0005411700000000, 0.0075538100000000, -0.0010950600000000 ] - [ 0.0001332200000000, 0.0078829300000000, -0.0011208300000000 ] - [ -0.0004393800000000, 0.0077442000000000, -0.0010650800000000 ] - [ 0.0013250400000000, -0.0075191200000000, -0.0008164000000000 ] - [ -0.0001822700000000, -0.0077197800000000, -0.0011959600000000 ] - [ 0.0005974300000000, -0.0075501800000000, -0.0010578900000000 ] - [ 0.0000064600000000, -0.0078021800000000, -0.0011042900000000 ] - [ -0.0003233000000000, -0.0075996900000000, 0.0012939500000000 ] - [ -0.0002157500000000, -0.0078033600000000, 0.0009922800000000 ] - [ -0.0003065000000000, -0.0078662700000000, 0.0012219700000000 ] - [ -0.0002723700000000, -0.0076754900000000, 0.0010514500000000 ] - [ 0.0002070700000000, -0.0083925600000000, -0.0005588700000000 ] - [ -0.0005411700000000, -0.0075538100000000, -0.0010950600000000 ] - [ 0.0001332200000000, -0.0078829300000000, -0.0011208300000000 ] - [ -0.0004393800000000, -0.0077442000000000, -0.0010650800000000 ] - [ -0.0004951400000000, -0.0082505100000000, 0.0010327200000000 ] - [ 0.0056257600000000, -0.0100600700000000, 0.0024895400000000 ] - [ 0.0000584400000000, -0.0076797100000000, 0.0009901600000000 ] - [ 0.0003197700000000, -0.0081954400000000, 0.0013050200000000 ] - [ -0.0003233000000000, 0.0075996900000000, 0.0012939500000000 ] - [ -0.0002157500000000, 0.0078033600000000, 0.0009922800000000 ] - [ -0.0003065000000000, 0.0078662700000000, 0.0012219700000000 ] - [ -0.0002723700000000, 0.0076754900000000, 0.0010514500000000 ] - [ 0.0045813300000000, 0.0000000000000000, 0.0100107900000000 ] - [ 0.0078796200000000, 0.0000000000000000, 0.0108513300000000 ] - [ 0.0047674100000000, 0.0000000000000000, 0.0100467400000000 ] - [ 0.0054154800000000, 0.0000000000000000, 0.0100299100000000 ] - [ -0.0049165200000000, 0.0000486500000000, -0.0101906300000000 ] - [ -0.0052808900000000, -0.0000159800000000, -0.0100055800000000 ] - [ -0.0049165200000000, -0.0000486500000000, -0.0101906300000000 ] - [ -0.0052808900000000, 0.0000159800000000, -0.0100055800000000 ] - [ 0.0027653300000000, 0.0000000000000000, -0.0096489300000000 ] - [ 0.0033974500000000, 0.0000000000000000, -0.0096770700000000 ] - [ 0.0049985800000000, 0.0000000000000000, -0.0102325000000000 ] - [ 0.0049067100000000, 0.0000000000000000, -0.0098745700000000 ] - [ -0.0003152400000000, -0.0003061700000000, -0.0019336700000000 ] - [ -0.0022132000000000, -0.0000391000000000, -0.0013897000000000 ] - [ -0.0003152400000000, 0.0003061700000000, -0.0019336700000000 ] - [ -0.0022132000000000, 0.0000391000000000, -0.0013897000000000 ] - [ 0.0021762400000000, 0.0000000000000000, -0.0007447000000000 ] - [ 0.0011052700000000, 0.0000000000000000, -0.0014882200000000 ] - [ 0.0016495200000000, 0.0000000000000000, -0.0013065700000000 ] - [ 0.0012688300000000, 0.0000000000000000, -0.0014538800000000 ] - [ -0.0018592300000000, -0.0001105200000000, 0.0015798300000000 ] - [ -0.0013760500000000, 0.0000340300000000, 0.0013170400000000 ] - [ -0.0018592300000000, 0.0001105200000000, 0.0015798300000000 ] - [ -0.0013760500000000, -0.0000340300000000, 0.0013170400000000 ] - [ 0.0002161900000000, 0.0000000000000000, 0.0013669800000000 ] - [ 0.0023661100000000, 0.0000000000000000, 0.0021799600000000 ] - [ 0.0013757300000000, 0.0000000000000000, 0.0013714100000000 ] - [ 0.0016658400000000, 0.0000000000000000, 0.0016208300000000 ] - [ -0.0045423800000000, -0.0001791400000000, 0.0099476100000000 ] - [ -0.0054020600000000, 0.0000281200000000, 0.0102622900000000 ] - [ -0.0045423800000000, 0.0001791400000000, 0.0099476100000000 ] - [ -0.0054020600000000, -0.0000281200000000, 0.0102622900000000 ] - [ -0.0015096000000000, 0.0002908400000000, -0.0020339900000000 ] - [ -0.0041051400000000, -0.0023269100000000, -0.0038871500000000 ] - [ -0.0015096000000000, -0.0002908400000000, -0.0020339900000000 ] - [ -0.0041051400000000, 0.0023269100000000, -0.0038871500000000 ] - [ -0.0008441000000000, -0.0001811600000000, 0.0030285800000000 ] - [ 0.0003023300000000, 0.0000547000000000, 0.0027109700000000 ] - [ -0.0008441000000000, 0.0001811600000000, 0.0030285800000000 ] - [ 0.0003023300000000, -0.0000547000000000, 0.0027109700000000 ] - [ 0.0043418000000000, 0.0000000000000000, -0.0033698300000000 ] - [ 0.0053140400000000, 0.0000000000000000, -0.0067667300000000 ] - [ 0.0003422400000000, 0.0000000000000000, -0.0026004900000000 ] - [ 0.0008212800000000, 0.0000000000000000, -0.0033857000000000 ] - [ 0.0001221300000000, 0.0000444300000000, -0.0030839700000000 ] - [ -0.0003427700000000, -0.0000286900000000, -0.0027868000000000 ] - [ 0.0001221300000000, -0.0000444300000000, -0.0030839700000000 ] - [ -0.0003427700000000, 0.0000286900000000, -0.0027868000000000 ] - [ -0.0033033300000000, 0.0000000000000000, -0.0005638300000000 ] - [ 0.0008072200000000, 0.0000000000000000, 0.0028576300000000 ] - [ -0.0005897700000000, 0.0000000000000000, 0.0026076100000000 ] - [ 0.0005953200000000, 0.0000000000000000, 0.0027994000000000 ] - [ -0.0013025000000000, 0.0015863200000000, 0.0019240200000000 ] - [ -0.0017799700000000, -0.0000543000000000, 0.0023905200000000 ] - [ -0.0013025000000000, -0.0015863200000000, 0.0019240200000000 ] - [ -0.0017799700000000, 0.0000543000000000, 0.0023905200000000 ] - [ 0.0019941100000000, 0.0000000000000000, -0.0028682200000000 ] - [ 0.0019608500000000, 0.0000000000000000, -0.0023255800000000 ] - [ 0.0019222700000000, 0.0000000000000000, -0.0023678100000000 ] - [ 0.0019644400000000, 0.0000000000000000, -0.0023863600000000 ] - [ 0.0006535500000000, 0.0000000000000000, -0.0000047000000000 ] - [ 0.0025276000000000, 0.0000000000000000, 0.0022018500000000 ] - [ 0.0014247400000000, 0.0000000000000000, 0.0023137800000000 ] - [ 0.0020203600000000, 0.0000000000000000, 0.0024076200000000 ] - [ -0.0187309200000000, 0.0000000000000000, 0.0081486100000000 ] - [ -0.0002450500000000, 0.0000000000000000, 0.0003137000000000 ] - [ -0.0014180000000000, 0.0000000000000000, 0.0005450700000000 ] - [ -0.0005361200000000, 0.0000000000000000, 0.0003160100000000 ] - [ 0.0009505100000000, 0.0000698400000000, -0.0004073400000000 ] - [ 0.0008454000000000, -0.0000790100000000, -0.0007498200000000 ] - [ 0.0009505100000000, -0.0000698400000000, -0.0004073400000000 ] - [ 0.0008454000000000, 0.0000790100000000, -0.0007498200000000 ] - [ 0.0002819200000000, 0.0000000000000000, -0.0009127900000000 ] - [ 0.0002902100000000, 0.0000000000000000, 0.0007838900000000 ] - [ -0.0006908100000000, 0.0000000000000000, -0.0003205600000000 ] - [ -0.0006912100000000, 0.0000000000000000, -0.0000928000000000 ] - [ 0.0006115200000000, 0.0001459500000000, -0.0000976800000000 ] - [ 0.0010130500000000, -0.0000125100000000, 0.0003469400000000 ] - [ 0.0006115200000000, -0.0001459500000000, -0.0000976800000000 ] - [ 0.0010130500000000, 0.0000125100000000, 0.0003469400000000 ] - [ 0.0000847900000000, 0.0000000000000000, 0.0003457500000000 ] - [ 0.0008072100000000, 0.0000000000000000, -0.0008769300000000 ] - [ 0.0003710000000000, 0.0000000000000000, -0.0004738900000000 ] - [ 0.0006717100000000, 0.0000000000000000, -0.0006239300000000 ] - [ -0.0002303300000000, 0.0010082400000000, 0.0007652500000000 ] - [ 0.0004625600000000, -0.0006126200000000, 0.0002105000000000 ] - [ -0.0002303300000000, -0.0010082400000000, 0.0007652500000000 ] - [ 0.0004625600000000, 0.0006126200000000, 0.0002105000000000 ] - [ 0.0007164000000000, 0.0000000000000000, 0.0005354300000000 ] - [ 0.0002422300000000, 0.0000000000000000, 0.0004061900000000 ] - [ 0.0006616900000000, 0.0000000000000000, 0.0005292100000000 ] - [ 0.0003108700000000, 0.0000000000000000, 0.0004061500000000 ] - [ -0.0013158900000000, -0.0002405600000000, -0.0001344700000000 ] - [ -0.0001980900000000, 0.0000238400000000, -0.0004600500000000 ] - [ -0.0013158900000000, 0.0002405600000000, -0.0001344700000000 ] - [ -0.0001980900000000, -0.0000238400000000, -0.0004600500000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001287800000000, 0.0079759200000000, -0.0010811500000000 ] - [ 0.0004641900000000, 0.0077211500000000, -0.0010351400000000 ] - [ -0.0008657900000000, 0.0080299500000000, -0.0012986900000000 ] - [ 0.0006508700000000, 0.0078030500000000, -0.0009452900000000 ] - [ 0.0004108600000000, 0.0078491500000000, 0.0011461600000000 ] - [ 0.0001490500000000, 0.0073322900000000, 0.0008360900000000 ] - [ 0.0009695300000000, 0.0072719700000000, 0.0011031200000000 ] - [ -0.0049235200000000, 0.0056188000000000, -0.0003897400000000 ] - [ -0.0006828600000000, 0.0071141900000000, -0.0016040600000000 ] - [ 0.0000750300000000, 0.0079699300000000, -0.0010436400000000 ] - [ -0.0006012700000000, 0.0076445100000000, -0.0010220300000000 ] - [ -0.0000292800000000, 0.0077782100000000, -0.0010742400000000 ] - [ -0.0008657900000000, -0.0080299500000000, -0.0012986900000000 ] - [ 0.0006508700000000, -0.0078030500000000, -0.0009452900000000 ] - [ -0.0001287800000000, -0.0079759200000000, -0.0010811500000000 ] - [ 0.0004641900000000, -0.0077211500000000, -0.0010351400000000 ] - [ -0.0001459500000000, -0.0079252000000000, 0.0008460200000000 ] - [ -0.0002501800000000, -0.0077247000000000, 0.0011431200000000 ] - [ -0.0001632800000000, -0.0076589400000000, 0.0009156900000000 ] - [ -0.0001939600000000, -0.0078526000000000, 0.0010848700000000 ] - [ -0.0006828600000000, -0.0071141900000000, -0.0016040600000000 ] - [ 0.0000750300000000, -0.0079699300000000, -0.0010436400000000 ] - [ -0.0006012700000000, -0.0076445100000000, -0.0010220300000000 ] - [ -0.0000292800000000, -0.0077782100000000, -0.0010742400000000 ] - [ 0.0009695300000000, -0.0072719700000000, 0.0011031200000000 ] - [ -0.0049235200000000, -0.0056188000000000, -0.0003897400000000 ] - [ 0.0004108600000000, -0.0078491500000000, 0.0011461600000000 ] - [ 0.0001490500000000, -0.0073322900000000, 0.0008360900000000 ] - [ -0.0001459500000000, 0.0079252000000000, 0.0008460200000000 ] - [ -0.0002501800000000, 0.0077247000000000, 0.0011431200000000 ] - [ -0.0001632800000000, 0.0076589400000000, 0.0009156900000000 ] - [ -0.0001939600000000, 0.0078526000000000, 0.0010848700000000 ] - [ 0.0054686600000000, 0.0000000000000000, 0.0101225500000000 ] - [ 0.0021798100000000, 0.0000000000000000, 0.0093209400000000 ] - [ 0.0052800800000000, 0.0000000000000000, 0.0100869600000000 ] - [ 0.0046311900000000, 0.0000000000000000, 0.0101038600000000 ] - [ -0.0051281300000000, -0.0000497300000000, -0.0099419200000000 ] - [ -0.0047648500000000, 0.0000164000000000, -0.0101280100000000 ] - [ -0.0051281300000000, 0.0000497300000000, -0.0099419200000000 ] - [ -0.0047648500000000, -0.0000164000000000, -0.0101280100000000 ] - [ 0.0072757300000000, 0.0000000000000000, -0.0105065600000000 ] - [ 0.0066452500000000, 0.0000000000000000, -0.0104562700000000 ] - [ 0.0050469600000000, 0.0000000000000000, -0.0099008100000000 ] - [ 0.0051386000000000, 0.0000000000000000, -0.0102610700000000 ] - [ -0.0026464600000000, 0.0002980800000000, -0.0008879800000000 ] - [ -0.0007386500000000, 0.0000399900000000, -0.0014212400000000 ] - [ -0.0026464600000000, -0.0002980800000000, -0.0008879800000000 ] - [ -0.0007386500000000, -0.0000399900000000, -0.0014212400000000 ] - [ 0.0007855600000000, 0.0000000000000000, -0.0020708700000000 ] - [ 0.0018514100000000, 0.0000000000000000, -0.0013226700000000 ] - [ 0.0013103600000000, 0.0000000000000000, -0.0015050200000000 ] - [ 0.0016881200000000, 0.0000000000000000, -0.0013576400000000 ] - [ -0.0011003900000000, 0.0001097400000000, 0.0012330900000000 ] - [ -0.0015814300000000, -0.0000340400000000, 0.0014931200000000 ] - [ -0.0011003900000000, -0.0001097400000000, 0.0012330900000000 ] - [ -0.0015814300000000, 0.0000340400000000, 0.0014931200000000 ] - [ 0.0027554500000000, 0.0000000000000000, 0.0014449800000000 ] - [ 0.0006274800000000, 0.0000000000000000, 0.0006295500000000 ] - [ 0.0015870900000000, 0.0000000000000000, 0.0014409500000000 ] - [ 0.0012964900000000, 0.0000000000000000, 0.0011922200000000 ] - [ -0.0055088100000000, 0.0001805400000000, 0.0101901600000000 ] - [ -0.0046397800000000, -0.0000279900000000, 0.0098735200000000 ] - [ -0.0055088100000000, -0.0001805400000000, 0.0101901600000000 ] - [ -0.0046397800000000, 0.0000279900000000, 0.0098735200000000 ] - [ -0.0022353300000000, -0.0002935200000000, -0.0026866600000000 ] - [ 0.0003429700000000, 0.0023224600000000, -0.0008341200000000 ] - [ -0.0022353300000000, 0.0002935200000000, -0.0026866600000000 ] - [ 0.0003429700000000, -0.0023224600000000, -0.0008341200000000 ] - [ 0.0003831500000000, 0.0001859100000000, 0.0025415800000000 ] - [ -0.0007807300000000, -0.0000551700000000, 0.0028511500000000 ] - [ 0.0003831500000000, -0.0001859100000000, 0.0025415800000000 ] - [ -0.0007807300000000, 0.0000551700000000, 0.0028511500000000 ] - [ -0.0039250200000000, 0.0000000000000000, -0.0021900400000000 ] - [ -0.0047827900000000, 0.0000000000000000, 0.0011549200000000 ] - [ 0.0001287600000000, 0.0000000000000000, -0.0029663400000000 ] - [ -0.0003483100000000, 0.0000000000000000, -0.0021833300000000 ] - [ -0.0005889600000000, -0.0000465100000000, -0.0024801200000000 ] - [ -0.0001256000000000, 0.0000294300000000, -0.0027783800000000 ] - [ -0.0005889600000000, 0.0000465100000000, -0.0024801200000000 ] - [ -0.0001256000000000, -0.0000294300000000, -0.0027783800000000 ] - [ 0.0037964400000000, 0.0000000000000000, 0.0061184000000000 ] - [ -0.0003330300000000, 0.0000000000000000, 0.0027035500000000 ] - [ 0.0010601000000000, 0.0000000000000000, 0.0029573500000000 ] - [ -0.0001246100000000, 0.0000000000000000, 0.0027626100000000 ] - [ -0.0024457500000000, -0.0015893000000000, 0.0028005000000000 ] - [ -0.0019603600000000, 0.0000528800000000, 0.0023373800000000 ] - [ -0.0024457500000000, 0.0015893000000000, 0.0028005000000000 ] - [ -0.0019603600000000, -0.0000528800000000, 0.0023373800000000 ] - [ 0.0017505300000000, 0.0000000000000000, -0.0018522200000000 ] - [ 0.0017812600000000, 0.0000000000000000, -0.0023967700000000 ] - [ 0.0018229700000000, 0.0000000000000000, -0.0023584000000000 ] - [ 0.0017795600000000, 0.0000000000000000, -0.0023277400000000 ] - [ 0.0030601700000000, 0.0000000000000000, 0.0047883300000000 ] - [ 0.0012107800000000, 0.0000000000000000, 0.0025219300000000 ] - [ 0.0023171500000000, 0.0000000000000000, 0.0024078600000000 ] - [ 0.0017218500000000, 0.0000000000000000, 0.0023198900000000 ] - [ 0.0165750900000000, 0.0000000000000000, -0.0073715700000000 ] - [ -0.0013792300000000, 0.0000000000000000, 0.0003986700000000 ] - [ -0.0002045000000000, 0.0000000000000000, 0.0001635800000000 ] - [ -0.0010866200000000, 0.0000000000000000, 0.0003957300000000 ] - [ 0.0006728100000000, -0.0000708100000000, -0.0003039800000000 ] - [ 0.0007741800000000, 0.0000808400000000, 0.0000370300000000 ] - [ 0.0006728100000000, 0.0000708100000000, -0.0003039800000000 ] - [ 0.0007741800000000, -0.0000808400000000, 0.0000370300000000 ] - [ -0.0019112800000000, 0.0000000000000000, 0.0002134800000000 ] - [ -0.0019024600000000, 0.0000000000000000, -0.0014885900000000 ] - [ -0.0009300500000000, 0.0000000000000000, -0.0003899400000000 ] - [ -0.0009295800000000, 0.0000000000000000, -0.0006182400000000 ] - [ 0.0010147000000000, -0.0001461200000000, 0.0008115800000000 ] - [ 0.0006090400000000, 0.0000127500000000, 0.0003650400000000 ] - [ 0.0010147000000000, 0.0001461200000000, 0.0008115800000000 ] - [ 0.0006090400000000, -0.0000127500000000, 0.0003650400000000 ] - [ 0.0009164300000000, 0.0000000000000000, -0.0013393100000000 ] - [ 0.0001826000000000, 0.0000000000000000, -0.0001074700000000 ] - [ 0.0006244300000000, 0.0000000000000000, -0.0005101100000000 ] - [ 0.0003212300000000, 0.0000000000000000, -0.0003585800000000 ] - [ -0.0007602000000000, -0.0010188300000000, 0.0002160800000000 ] - [ -0.0014555400000000, 0.0006130200000000, 0.0007731500000000 ] - [ -0.0007602000000000, 0.0010188300000000, 0.0002160800000000 ] - [ -0.0014555400000000, -0.0006130200000000, 0.0007731500000000 ] - [ 0.0002766200000000, 0.0000000000000000, 0.0004482200000000 ] - [ 0.0007517200000000, 0.0000000000000000, 0.0005753100000000 ] - [ 0.0003321700000000, 0.0000000000000000, 0.0004547000000000 ] - [ 0.0006820300000000, 0.0000000000000000, 0.0005783400000000 ] - [ 0.0003218300000000, 0.0002432000000000, -0.0008513300000000 ] - [ -0.0007937200000000, -0.0000245000000000, -0.0005233900000000 ] - [ 0.0003218300000000, -0.0002432000000000, -0.0008513300000000 ] - [ -0.0007937200000000, 0.0000245000000000, -0.0005233900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001944800000000, 0.0074242500000000, -0.0010277500000000 ] - [ 0.0002276700000000, 0.0076522100000000, -0.0010922700000000 ] - [ -0.0013038200000000, 0.0091032500000000, -0.0004237500000000 ] - [ 0.0003037100000000, 0.0078743200000000, -0.0010072600000000 ] - [ 0.0001391500000000, 0.0076174200000000, 0.0010460600000000 ] - [ 0.0004547400000000, 0.0070162300000000, 0.0012964900000000 ] - [ 0.0002379900000000, 0.0079480300000000, 0.0010964500000000 ] - [ 0.0030816300000000, 0.0109820700000000, 0.0016802600000000 ] - [ -0.0001610700000000, 0.0084613800000000, -0.0008269200000000 ] - [ -0.0002368100000000, 0.0078249900000000, -0.0010483400000000 ] - [ -0.0003415000000000, 0.0070514200000000, -0.0003840300000000 ] - [ -0.0002510700000000, 0.0076807200000000, -0.0010801500000000 ] - [ 0.0017531100000000, -0.0064364000000000, -0.0016662400000000 ] - [ 0.0001757000000000, -0.0076445700000000, -0.0011168900000000 ] - [ 0.0002866200000000, -0.0080933000000000, -0.0011005700000000 ] - [ 0.0002516000000000, -0.0078668000000000, -0.0010342300000000 ] - [ -0.0002341400000000, -0.0076791800000000, 0.0010727200000000 ] - [ -0.0003249400000000, -0.0076145200000000, 0.0010959700000000 ] - [ -0.0002702000000000, -0.0078638900000000, 0.0011318600000000 ] - [ -0.0001759300000000, -0.0078896000000000, 0.0010401900000000 ] - [ -0.0003280700000000, -0.0070292900000000, -0.0013108800000000 ] - [ -0.0002447900000000, -0.0076894800000000, -0.0010773700000000 ] - [ -0.0001401700000000, -0.0084628500000000, -0.0017341100000000 ] - [ -0.0002296300000000, -0.0078391500000000, -0.0010411100000000 ] - [ 0.0002432900000000, -0.0075696400000000, 0.0010314200000000 ] - [ -0.0024884000000000, -0.0045942600000000, 0.0004227200000000 ] - [ 0.0003444400000000, -0.0078959500000000, 0.0010813000000000 ] - [ 0.0000224200000000, -0.0085019100000000, 0.0008272900000000 ] - [ -0.0002478800000000, 0.0078383100000000, 0.0010526600000000 ] - [ -0.0001578600000000, 0.0078999400000000, 0.0010298900000000 ] - [ -0.0002138200000000, 0.0076505200000000, 0.0009979300000000 ] - [ -0.0003064200000000, 0.0076250700000000, 0.0010876800000000 ] - [ 0.0050168000000000, 0.0000124200000000, 0.0100691300000000 ] - [ 0.0050138800000000, 0.0008463100000000, 0.0100720400000000 ] - [ 0.0050176100000000, -0.0000177300000000, 0.0100693300000000 ] - [ 0.0050197000000000, -0.0005379800000000, 0.0100679000000000 ] - [ -0.0048162200000000, -0.0000119200000000, -0.0097218000000000 ] - [ -0.0050097300000000, -0.0000047600000000, -0.0100615300000000 ] - [ -0.0052227300000000, -0.0000114600000000, -0.0104218700000000 ] - [ -0.0050301400000000, -0.0000050800000000, -0.0100768800000000 ] - [ 0.0050142700000000, -0.0003438200000000, -0.0100683100000000 ] - [ 0.0050174200000000, 0.0010135200000000, -0.0100687200000000 ] - [ 0.0050203000000000, -0.0001844700000000, -0.0100700500000000 ] - [ 0.0050171600000000, -0.0004038500000000, -0.0100700700000000 ] - [ -0.0014094000000000, 0.0001038700000000, -0.0036891900000000 ] - [ -0.0012744800000000, 0.0000212300000000, -0.0014220500000000 ] - [ -0.0015609500000000, 0.0001498800000000, 0.0008668900000000 ] - [ -0.0016886600000000, 0.0000222100000000, -0.0014100600000000 ] - [ 0.0014782100000000, 0.0004019500000000, -0.0014189100000000 ] - [ 0.0014799700000000, 0.0000295300000000, -0.0014171700000000 ] - [ 0.0014828500000000, -0.0001643500000000, -0.0014162300000000 ] - [ 0.0014809500000000, -0.0000473100000000, -0.0014154000000000 ] - [ -0.0016990500000000, -0.0000344900000000, 0.0014742200000000 ] - [ -0.0012103000000000, 0.0000146100000000, 0.0014481500000000 ] - [ -0.0012597400000000, -0.0000339200000000, 0.0013570200000000 ] - [ -0.0017494800000000, 0.0000139600000000, 0.0013819500000000 ] - [ 0.0014758300000000, 0.0000147600000000, 0.0014150100000000 ] - [ 0.0014892700000000, 0.0005524000000000, 0.0014157400000000 ] - [ 0.0014775500000000, -0.0000377200000000, 0.0014164900000000 ] - [ 0.0014792500000000, -0.0002859300000000, 0.0014157600000000 ] - [ -0.0053691900000000, 0.0000914300000000, 0.0096707800000000 ] - [ -0.0048731300000000, 0.0000043800000000, 0.0100230400000000 ] - [ -0.0046651200000000, 0.0000943700000000, 0.0104736300000000 ] - [ -0.0051637300000000, 0.0000041700000000, 0.0101164800000000 ] - [ -0.0018790000000000, -0.0000246200000000, -0.0024256100000000 ] - [ -0.0029956100000000, 0.0014239600000000, -0.0015971400000000 ] - [ -0.0018446700000000, -0.0000264900000000, -0.0023377200000000 ] - [ -0.0007095700000000, 0.0014252700000000, -0.0031531700000000 ] - [ 0.0005806300000000, -0.0007371400000000, 0.0057440400000000 ] - [ -0.0003796200000000, 0.0000016100000000, 0.0027896400000000 ] - [ -0.0010511900000000, -0.0007496100000000, -0.0002067700000000 ] - [ -0.0000901200000000, 0.0000012600000000, 0.0027751100000000 ] - [ 0.0002430500000000, 0.0002772400000000, -0.0027834300000000 ] - [ 0.0002277700000000, -0.0053251600000000, -0.0027829800000000 ] - [ 0.0002387900000000, 0.0000977100000000, -0.0027782200000000 ] - [ 0.0002350100000000, 0.0008972100000000, -0.0027830100000000 ] - [ -0.0002149600000000, 0.0000018200000000, -0.0029348200000000 ] - [ -0.0005671800000000, -0.0000063100000000, -0.0028073800000000 ] - [ -0.0002521300000000, 0.0000017500000000, -0.0026276500000000 ] - [ 0.0001080300000000, -0.0000078700000000, -0.0027567700000000 ] - [ 0.0002509500000000, -0.0028448200000000, 0.0027707100000000 ] - [ 0.0002385700000000, -0.0000622100000000, 0.0027777900000000 ] - [ 0.0002357500000000, 0.0003858700000000, 0.0027806100000000 ] - [ 0.0002367000000000, 0.0001104300000000, 0.0027805900000000 ] - [ -0.0014184400000000, 0.0009053400000000, 0.0019999600000000 ] - [ -0.0019763300000000, -0.0000151900000000, 0.0024705400000000 ] - [ -0.0022997300000000, 0.0009001600000000, 0.0027982300000000 ] - [ -0.0017472900000000, -0.0000138900000000, 0.0022970200000000 ] - [ 0.0018577800000000, -0.0001407300000000, -0.0023998900000000 ] - [ 0.0018601700000000, -0.0001272400000000, -0.0023951600000000 ] - [ 0.0018560700000000, 0.0000626000000000, -0.0023985300000000 ] - [ 0.0018651100000000, 0.0001296000000000, -0.0023807600000000 ] - [ 0.0018570800000000, -0.0009396600000000, 0.0024102600000000 ] - [ 0.0018627100000000, -0.0000795000000000, 0.0023830800000000 ] - [ 0.0018685400000000, 0.0009992400000000, 0.0023761000000000 ] - [ 0.0018604200000000, 0.0000708700000000, 0.0023821400000000 ] - [ -0.0009020600000000, -0.0079444600000000, 0.0003431500000000 ] - [ -0.0008159300000000, 0.0000117200000000, 0.0003579200000000 ] - [ -0.0008153600000000, 0.0008082600000000, 0.0003580700000000 ] - [ -0.0008161500000000, 0.0000577800000000, 0.0003574400000000 ] - [ 0.0008856400000000, 0.0000233900000000, -0.0003362800000000 ] - [ 0.0007358500000000, -0.0000739600000000, -0.0001143700000000 ] - [ 0.0007453600000000, 0.0000230500000000, -0.0003798100000000 ] - [ 0.0008954100000000, -0.0000757100000000, -0.0006014300000000 ] - [ -0.0008154200000000, -0.0004479100000000, -0.0003600500000000 ] - [ -0.0008166600000000, -0.0004479300000000, -0.0003584700000000 ] - [ -0.0008163600000000, 0.0001414700000000, -0.0003583100000000 ] - [ -0.0008150100000000, 0.0001412600000000, -0.0003584200000000 ] - [ 0.0009615500000000, 0.0000927500000000, 0.0002487400000000 ] - [ 0.0008030200000000, 0.0000109300000000, 0.0003602300000000 ] - [ 0.0006696200000000, 0.0000910400000000, 0.0004644800000000 ] - [ 0.0008283200000000, 0.0000102600000000, 0.0003554300000000 ] - [ 0.0004928900000000, -0.0002166100000000, -0.0004877300000000 ] - [ 0.0004924800000000, -0.0000832300000000, -0.0004890300000000 ] - [ 0.0004924500000000, 0.0002701300000000, -0.0004895300000000 ] - [ 0.0004934900000000, 0.0000670800000000, -0.0004891100000000 ] - [ 0.0003743800000000, 0.0002837300000000, 0.0005382000000000 ] - [ -0.0010957600000000, 0.0002506600000000, 0.0006870100000000 ] - [ -0.0013688500000000, 0.0002824600000000, 0.0004393100000000 ] - [ 0.0001072800000000, 0.0002479200000000, 0.0002917000000000 ] - [ 0.0004929500000000, -0.0000478400000000, 0.0004892600000000 ] - [ 0.0004941000000000, -0.0001055300000000, 0.0004882800000000 ] - [ 0.0004927400000000, 0.0000389900000000, 0.0004894200000000 ] - [ 0.0004932800000000, 0.0002145300000000, 0.0004895600000000 ] - [ -0.0008349600000000, 0.0007807100000000, -0.0015216100000000 ] - [ -0.0004572500000000, -0.0000124200000000, -0.0004726500000000 ] - [ -0.0001482200000000, 0.0007832900000000, 0.0005534200000000 ] - [ -0.0005291100000000, -0.0000128300000000, -0.0005059700000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002822900000000, 0.0080755300000000, -0.0011699900000000 ] - [ 0.0003171500000000, 0.0078199100000000, -0.0010043700000000 ] - [ -0.0001561200000000, 0.0076595400000000, -0.0013907100000000 ] - [ 0.0002377500000000, 0.0077183400000000, -0.0010511400000000 ] - [ 0.0002142200000000, 0.0077113900000000, 0.0011103400000000 ] - [ 0.0003674600000000, 0.0074819200000000, 0.0012168700000000 ] - [ -0.0000135800000000, 0.0078645800000000, 0.0011175000000000 ] - [ 0.0005757200000000, 0.0083597200000000, 0.0016128000000000 ] - [ -0.0007164900000000, 0.0060542100000000, -0.0038234600000000 ] - [ -0.0000647900000000, 0.0075647800000000, -0.0010864300000000 ] - [ -0.0002629000000000, 0.0079564300000000, -0.0012131400000000 ] - [ -0.0001423200000000, 0.0077791600000000, -0.0010989100000000 ] - [ -0.0001561200000000, -0.0076595400000000, -0.0013907100000000 ] - [ 0.0002377500000000, -0.0077183400000000, -0.0010511400000000 ] - [ 0.0002822900000000, -0.0080755300000000, -0.0011699900000000 ] - [ 0.0003171500000000, -0.0078199100000000, -0.0010043700000000 ] - [ -0.0000956300000000, -0.0080368300000000, 0.0007736500000000 ] - [ -0.0004019000000000, -0.0078156600000000, 0.0010185200000000 ] - [ -0.0003635200000000, -0.0078091000000000, 0.0008336700000000 ] - [ -0.0003349200000000, -0.0077385400000000, 0.0009890500000000 ] - [ -0.0007164900000000, -0.0060542100000000, -0.0038234600000000 ] - [ -0.0000647900000000, -0.0075647800000000, -0.0010864300000000 ] - [ -0.0002629000000000, -0.0079564300000000, -0.0012131400000000 ] - [ -0.0001423200000000, -0.0077791600000000, -0.0010989100000000 ] - [ -0.0000135800000000, -0.0078645800000000, 0.0011175000000000 ] - [ 0.0005757200000000, -0.0083597200000000, 0.0016128000000000 ] - [ 0.0002142200000000, -0.0077113900000000, 0.0011103400000000 ] - [ 0.0003674600000000, -0.0074819200000000, 0.0012168700000000 ] - [ -0.0000956300000000, 0.0080368300000000, 0.0007736500000000 ] - [ -0.0004019000000000, 0.0078156600000000, 0.0010185200000000 ] - [ -0.0003635200000000, 0.0078091000000000, 0.0008336700000000 ] - [ -0.0003349200000000, 0.0077385400000000, 0.0009890500000000 ] - [ 0.0051987600000000, 0.0000000000000000, 0.0101056000000000 ] - [ 0.0056835000000000, 0.0000000000000000, 0.0079060700000000 ] - [ 0.0051359800000000, 0.0000000000000000, 0.0100780400000000 ] - [ 0.0049419200000000, 0.0000000000000000, 0.0098940800000000 ] - [ -0.0053499200000000, 0.0002876900000000, -0.0106546100000000 ] - [ -0.0047879000000000, 0.0000067600000000, -0.0101872300000000 ] - [ -0.0053499200000000, -0.0002876900000000, -0.0106546100000000 ] - [ -0.0047879000000000, -0.0000067600000000, -0.0101872300000000 ] - [ 0.0048368000000000, 0.0000000000000000, -0.0099058300000000 ] - [ 0.0053841300000000, 0.0000000000000000, -0.0098495400000000 ] - [ 0.0048474100000000, 0.0000000000000000, -0.0099981900000000 ] - [ 0.0051365500000000, 0.0000000000000000, -0.0101368200000000 ] - [ -0.0012992500000000, -0.0009551300000000, -0.0017644700000000 ] - [ -0.0013482600000000, -0.0000122300000000, -0.0014028700000000 ] - [ -0.0012992500000000, 0.0009551300000000, -0.0017644700000000 ] - [ -0.0013482600000000, 0.0000122300000000, -0.0014028700000000 ] - [ 0.0025577500000000, 0.0000000000000000, -0.0023598300000000 ] - [ 0.0013884900000000, 0.0000000000000000, -0.0014459700000000 ] - [ 0.0015602500000000, 0.0000000000000000, -0.0016312400000000 ] - [ 0.0015203300000000, 0.0000000000000000, -0.0013820400000000 ] - [ -0.0009522900000000, 0.0001783800000000, 0.0009951100000000 ] - [ -0.0019124400000000, 0.0000436000000000, 0.0013617700000000 ] - [ -0.0009522900000000, -0.0001783800000000, 0.0009951100000000 ] - [ -0.0019124400000000, -0.0000436000000000, 0.0013617700000000 ] - [ 0.0012527600000000, 0.0000000000000000, 0.0015404600000000 ] - [ 0.0039641400000000, 0.0000000000000000, 0.0005550600000000 ] - [ 0.0014075200000000, 0.0000000000000000, 0.0014416200000000 ] - [ 0.0015859000000000, 0.0000000000000000, 0.0013898200000000 ] - [ -0.0055104100000000, -0.0001729300000000, 0.0099505000000000 ] - [ -0.0048243500000000, -0.0000189300000000, 0.0099773400000000 ] - [ -0.0055104100000000, 0.0001729300000000, 0.0099505000000000 ] - [ -0.0048243500000000, 0.0000189300000000, 0.0099773400000000 ] - [ -0.0019175600000000, 0.0000824200000000, -0.0023066400000000 ] - [ -0.0027249700000000, 0.0009096900000000, -0.0018888300000000 ] - [ -0.0019175600000000, -0.0000824200000000, -0.0023066400000000 ] - [ -0.0027249700000000, -0.0009096900000000, -0.0018888300000000 ] - [ 0.0008847900000000, 0.0010380300000000, 0.0035310300000000 ] - [ -0.0004694500000000, 0.0000826100000000, 0.0027780400000000 ] - [ 0.0008847900000000, -0.0010380300000000, 0.0035310300000000 ] - [ -0.0004694500000000, -0.0000826100000000, 0.0027780400000000 ] - [ 0.0014854200000000, 0.0000000000000000, -0.0026326300000000 ] - [ -0.0025700200000000, 0.0000000000000000, -0.0031042700000000 ] - [ 0.0003916800000000, 0.0000000000000000, -0.0028263400000000 ] - [ -0.0000015500000000, 0.0000000000000000, -0.0025806900000000 ] - [ -0.0004662000000000, -0.0000192900000000, -0.0022774900000000 ] - [ 0.0003042600000000, -0.0001570100000000, -0.0026310000000000 ] - [ -0.0004662000000000, 0.0000192900000000, -0.0022774900000000 ] - [ 0.0003042600000000, 0.0001570100000000, -0.0026310000000000 ] - [ -0.0041122200000000, 0.0000000000000000, 0.0102348000000000 ] - [ 0.0000985800000000, 0.0000000000000000, 0.0027107100000000 ] - [ 0.0005028900000000, 0.0000000000000000, 0.0032284600000000 ] - [ 0.0001034900000000, 0.0000000000000000, 0.0027909800000000 ] - [ -0.0024712300000000, -0.0017332200000000, 0.0036713400000000 ] - [ -0.0017269900000000, -0.0000414800000000, 0.0023248900000000 ] - [ -0.0024712300000000, 0.0017332200000000, 0.0036713400000000 ] - [ -0.0017269900000000, 0.0000414800000000, 0.0023248900000000 ] - [ 0.0010143000000000, 0.0000000000000000, -0.0019419300000000 ] - [ 0.0021077000000000, 0.0000000000000000, -0.0021772500000000 ] - [ 0.0016886300000000, 0.0000000000000000, -0.0021937400000000 ] - [ 0.0018827500000000, 0.0000000000000000, -0.0024014100000000 ] - [ -0.0023885400000000, 0.0000000000000000, 0.0200733600000000 ] - [ 0.0018967800000000, 0.0000000000000000, 0.0023461300000000 ] - [ 0.0016708600000000, 0.0000000000000000, 0.0025151100000000 ] - [ 0.0018593400000000, 0.0000000000000000, 0.0023380800000000 ] - [ 0.0069421300000000, 0.0000000000000000, -0.0216353700000000 ] - [ -0.0008560000000000, 0.0000000000000000, 0.0001578900000000 ] - [ -0.0006214100000000, 0.0000000000000000, -0.0003959500000000 ] - [ -0.0008535600000000, 0.0000000000000000, 0.0002287500000000 ] - [ 0.0007620300000000, 0.0000226600000000, -0.0001197800000000 ] - [ 0.0004203500000000, 0.0002432600000000, 0.0001870100000000 ] - [ 0.0007620300000000, -0.0000226600000000, -0.0001197800000000 ] - [ 0.0004203500000000, -0.0002432600000000, 0.0001870100000000 ] - [ -0.0019524200000000, 0.0000000000000000, -0.0009978600000000 ] - [ -0.0002485000000000, 0.0000000000000000, -0.0009993700000000 ] - [ -0.0010770400000000, 0.0000000000000000, -0.0006516300000000 ] - [ -0.0008481000000000, 0.0000000000000000, -0.0006521000000000 ] - [ 0.0012690100000000, 0.0001079200000000, 0.0010850500000000 ] - [ 0.0008228000000000, -0.0000023100000000, 0.0005611100000000 ] - [ 0.0012690100000000, -0.0001079200000000, 0.0010850500000000 ] - [ 0.0008228000000000, 0.0000023100000000, 0.0005611100000000 ] - [ 0.0011265200000000, 0.0000000000000000, -0.0000454500000000 ] - [ 0.0000209800000000, 0.0000000000000000, -0.0003320800000000 ] - [ 0.0006497400000000, 0.0000000000000000, -0.0003809300000000 ] - [ 0.0004035100000000, 0.0000000000000000, -0.0003459200000000 ] - [ -0.0002517200000000, 0.0000810500000000, -0.0000735500000000 ] - [ -0.0008145700000000, 0.0001716200000000, 0.0005184800000000 ] - [ -0.0002517200000000, -0.0000810500000000, -0.0000735500000000 ] - [ -0.0008145700000000, -0.0001716200000000, 0.0005184800000000 ] - [ 0.0003954600000000, 0.0000000000000000, 0.0005849900000000 ] - [ 0.0007324100000000, 0.0000000000000000, 0.0022500800000000 ] - [ 0.0004419800000000, 0.0000000000000000, 0.0005643600000000 ] - [ 0.0005696800000000, 0.0000000000000000, 0.0007936300000000 ] - [ 0.0001553100000000, -0.0016206800000000, -0.0002080800000000 ] - [ -0.0006623100000000, -0.0000135500000000, -0.0006232300000000 ] - [ 0.0001553100000000, 0.0016206800000000, -0.0002080800000000 ] - [ -0.0006623100000000, 0.0000135500000000, -0.0006232300000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001923500000000, 0.0074492600000000, -0.0009647300000000 ] - [ 0.0001553400000000, 0.0077056600000000, -0.0011254100000000 ] - [ 0.0006036700000000, 0.0078950700000000, -0.0007161800000000 ] - [ 0.0002343000000000, 0.0078070300000000, -0.0010786400000000 ] - [ 0.0002588800000000, 0.0078110400000000, 0.0010218000000000 ] - [ 0.0001057700000000, 0.0080389700000000, 0.0009153500000000 ] - [ 0.0004858400000000, 0.0076582300000000, 0.0010161800000000 ] - [ -0.0001082700000000, 0.0071582600000000, 0.0005034500000000 ] - [ 0.0002328500000000, 0.0094545600000000, 0.0016827000000000 ] - [ -0.0004084300000000, 0.0079583800000000, -0.0010439000000000 ] - [ -0.0002126100000000, 0.0075649800000000, -0.0009264200000000 ] - [ -0.0003305700000000, 0.0077427900000000, -0.0010329400000000 ] - [ 0.0006036700000000, -0.0078950700000000, -0.0007161800000000 ] - [ 0.0002343000000000, -0.0078070300000000, -0.0010786400000000 ] - [ 0.0001923500000000, -0.0074492600000000, -0.0009647300000000 ] - [ 0.0001553400000000, -0.0077056600000000, -0.0011254100000000 ] - [ -0.0003761700000000, -0.0074880500000000, 0.0013575500000000 ] - [ -0.0000730300000000, -0.0077074900000000, 0.0011139900000000 ] - [ -0.0001095000000000, -0.0077164500000000, 0.0012964200000000 ] - [ -0.0001398500000000, -0.0077830400000000, 0.0011435900000000 ] - [ 0.0002328500000000, -0.0094545600000000, 0.0016827000000000 ] - [ -0.0004084300000000, -0.0079583800000000, -0.0010439000000000 ] - [ -0.0002126100000000, -0.0075649800000000, -0.0009264200000000 ] - [ -0.0003305700000000, -0.0077427900000000, -0.0010329400000000 ] - [ 0.0004858400000000, -0.0076582300000000, 0.0010161800000000 ] - [ -0.0001082700000000, -0.0071582600000000, 0.0005034500000000 ] - [ 0.0002588800000000, -0.0078110400000000, 0.0010218000000000 ] - [ 0.0001057700000000, -0.0080389700000000, 0.0009153500000000 ] - [ -0.0003761700000000, 0.0074880500000000, 0.0013575500000000 ] - [ -0.0000730300000000, 0.0077074900000000, 0.0011139900000000 ] - [ -0.0001095000000000, 0.0077164500000000, 0.0012964200000000 ] - [ -0.0001398500000000, 0.0077830400000000, 0.0011435900000000 ] - [ 0.0048482000000000, 0.0000000000000000, 0.0100288700000000 ] - [ 0.0044027600000000, 0.0000000000000000, 0.0122993700000000 ] - [ 0.0049102600000000, 0.0000000000000000, 0.0100554300000000 ] - [ 0.0051056900000000, 0.0000000000000000, 0.0102383900000000 ] - [ -0.0046998100000000, -0.0002843700000000, -0.0094817300000000 ] - [ -0.0052574600000000, -0.0000063200000000, -0.0099477500000000 ] - [ -0.0046998100000000, 0.0002843700000000, -0.0094817300000000 ] - [ -0.0052574600000000, 0.0000063200000000, -0.0099477500000000 ] - [ 0.0051982800000000, 0.0000000000000000, -0.0102172600000000 ] - [ 0.0046717800000000, 0.0000000000000000, -0.0102883800000000 ] - [ 0.0051992400000000, 0.0000000000000000, -0.0101377900000000 ] - [ 0.0049105800000000, 0.0000000000000000, -0.0099995000000000 ] - [ -0.0016625300000000, 0.0009597100000000, -0.0010695200000000 ] - [ -0.0016043700000000, 0.0000121300000000, -0.0014185200000000 ] - [ -0.0016625300000000, -0.0009597100000000, -0.0010695200000000 ] - [ -0.0016043700000000, -0.0000121300000000, -0.0014185200000000 ] - [ 0.0004093400000000, 0.0000000000000000, -0.0004648400000000 ] - [ 0.0015674900000000, 0.0000000000000000, -0.0013750800000000 ] - [ 0.0013957100000000, 0.0000000000000000, -0.0011908900000000 ] - [ 0.0014378000000000, 0.0000000000000000, -0.0014381700000000 ] - [ -0.0020033700000000, -0.0001771200000000, 0.0018237400000000 ] - [ -0.0010440900000000, -0.0000433700000000, 0.0014583200000000 ] - [ -0.0020033700000000, 0.0001771200000000, 0.0018237400000000 ] - [ -0.0010440900000000, 0.0000433700000000, 0.0014583200000000 ] - [ 0.0016968000000000, 0.0000000000000000, 0.0012793500000000 ] - [ -0.0009936200000000, 0.0000000000000000, 0.0022589100000000 ] - [ 0.0015508000000000, 0.0000000000000000, 0.0013802200000000 ] - [ 0.0013740100000000, 0.0000000000000000, 0.0014309500000000 ] - [ -0.0045377600000000, 0.0001733300000000, 0.0101850600000000 ] - [ -0.0052221000000000, 0.0000184200000000, 0.0101581700000000 ] - [ -0.0045377600000000, -0.0001733300000000, 0.0101850600000000 ] - [ -0.0052221000000000, -0.0000184200000000, 0.0101581700000000 ] - [ -0.0018236600000000, -0.0000823500000000, -0.0024283500000000 ] - [ -0.0010054800000000, -0.0009040900000000, -0.0028359700000000 ] - [ -0.0018236600000000, 0.0000823500000000, -0.0024283500000000 ] - [ -0.0010054800000000, 0.0009040900000000, -0.0028359700000000 ] - [ -0.0013519600000000, -0.0010470500000000, 0.0020374700000000 ] - [ -0.0000034100000000, -0.0000820300000000, 0.0027865200000000 ] - [ -0.0013519600000000, 0.0010470500000000, 0.0020374700000000 ] - [ -0.0000034100000000, 0.0000820300000000, 0.0027865200000000 ] - [ -0.0010108400000000, 0.0000000000000000, -0.0029448900000000 ] - [ 0.0030427400000000, 0.0000000000000000, -0.0024397300000000 ] - [ 0.0000790700000000, 0.0000000000000000, -0.0027387000000000 ] - [ 0.0004706600000000, 0.0000000000000000, -0.0029817400000000 ] - [ -0.0000046100000000, 0.0000188900000000, -0.0032837400000000 ] - [ -0.0007696800000000, 0.0001557500000000, -0.0029311700000000 ] - [ -0.0000046100000000, -0.0000188900000000, -0.0032837400000000 ] - [ -0.0007696800000000, -0.0001557500000000, -0.0029311700000000 ] - [ 0.0045001300000000, 0.0000000000000000, -0.0045224900000000 ] - [ 0.0003720300000000, 0.0000000000000000, 0.0028515700000000 ] - [ -0.0000332700000000, 0.0000000000000000, 0.0023382100000000 ] - [ 0.0003671000000000, 0.0000000000000000, 0.0027723000000000 ] - [ -0.0012734700000000, 0.0017267600000000, 0.0010782200000000 ] - [ -0.0020134400000000, 0.0000409400000000, 0.0024083900000000 ] - [ -0.0012734700000000, -0.0017267600000000, 0.0010782200000000 ] - [ -0.0020134400000000, -0.0000409400000000, 0.0024083900000000 ] - [ 0.0027176500000000, 0.0000000000000000, -0.0027976900000000 ] - [ 0.0016346600000000, 0.0000000000000000, -0.0025591100000000 ] - [ 0.0020517400000000, 0.0000000000000000, -0.0025363900000000 ] - [ 0.0018575400000000, 0.0000000000000000, -0.0023361800000000 ] - [ 0.0062328800000000, 0.0000000000000000, -0.0157891600000000 ] - [ 0.0018494500000000, 0.0000000000000000, 0.0023775100000000 ] - [ 0.0020697700000000, 0.0000000000000000, 0.0022223400000000 ] - [ 0.0018834700000000, 0.0000000000000000, 0.0023888200000000 ] - [ -0.0085787500000000, 0.0000000000000000, 0.0225634500000000 ] - [ -0.0007708100000000, 0.0000000000000000, 0.0005522100000000 ] - [ -0.0010020800000000, 0.0000000000000000, 0.0011049400000000 ] - [ -0.0007727100000000, 0.0000000000000000, 0.0004819400000000 ] - [ 0.0008638400000000, -0.0000222900000000, -0.0005900900000000 ] - [ 0.0012056000000000, -0.0002442700000000, -0.0008944300000000 ] - [ 0.0008638400000000, 0.0000222900000000, -0.0005900900000000 ] - [ 0.0012056000000000, 0.0002442700000000, -0.0008944300000000 ] - [ 0.0003209400000000, 0.0000000000000000, 0.0002819000000000 ] - [ -0.0013741600000000, 0.0000000000000000, 0.0002806300000000 ] - [ -0.0005504800000000, 0.0000000000000000, -0.0000609600000000 ] - [ -0.0007777900000000, 0.0000000000000000, -0.0000612400000000 ] - [ 0.0003593600000000, -0.0001075700000000, -0.0003727200000000 ] - [ 0.0008039400000000, 0.0000023500000000, 0.0001517700000000 ] - [ 0.0003593600000000, 0.0001075700000000, -0.0003727200000000 ] - [ 0.0008039400000000, -0.0000023500000000, 0.0001517700000000 ] - [ -0.0001386400000000, 0.0000000000000000, -0.0009374500000000 ] - [ 0.0009691700000000, 0.0000000000000000, -0.0006492600000000 ] - [ 0.0003424900000000, 0.0000000000000000, -0.0006020500000000 ] - [ 0.0005879300000000, 0.0000000000000000, -0.0006363400000000 ] - [ -0.0007376800000000, -0.0000784000000000, 0.0010559100000000 ] - [ -0.0001828900000000, -0.0001674100000000, 0.0004654500000000 ] - [ -0.0007376800000000, 0.0000784000000000, 0.0010559100000000 ] - [ -0.0001828900000000, 0.0001674100000000, 0.0004654500000000 ] - [ 0.0005957400000000, 0.0000000000000000, 0.0003996500000000 ] - [ 0.0002638500000000, 0.0000000000000000, -0.0012535800000000 ] - [ 0.0005496700000000, 0.0000000000000000, 0.0004202600000000 ] - [ 0.0004221700000000, 0.0000000000000000, 0.0001926200000000 ] - [ -0.0011439200000000, 0.0016070000000000, -0.0007772400000000 ] - [ -0.0003298800000000, 0.0000136300000000, -0.0003611000000000 ] - [ -0.0011439200000000, -0.0016070000000000, -0.0007772400000000 ] - [ -0.0003298800000000, -0.0000136300000000, -0.0003611000000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003990000000000, 0.0077489500000000, -0.0010304700000000 ] - [ 0.0000965300000000, 0.0077529200000000, -0.0010529400000000 ] - [ 0.0004476300000000, 0.0075979900000000, -0.0009726900000000 ] - [ 0.0000377400000000, 0.0078579900000000, -0.0010062900000000 ] - [ 0.0003597700000000, 0.0075237100000000, 0.0012498400000000 ] - [ 0.0000424400000000, 0.0079078300000000, 0.0008641700000000 ] - [ 0.0004771900000000, 0.0080940300000000, 0.0018471200000000 ] - [ 0.0000782200000000, 0.0077576300000000, 0.0007377200000000 ] - [ 0.0022964200000000, 0.0077398900000000, -0.0023080300000000 ] - [ -0.0007870300000000, 0.0070686900000000, -0.0013520900000000 ] - [ 0.0001251100000000, 0.0072562600000000, -0.0013483400000000 ] - [ -0.0005384900000000, 0.0079433300000000, -0.0009639300000000 ] - [ 0.0004476300000000, -0.0075979900000000, -0.0009726900000000 ] - [ 0.0000377400000000, -0.0078579900000000, -0.0010062900000000 ] - [ 0.0003990000000000, -0.0077489500000000, -0.0010304700000000 ] - [ 0.0000965300000000, -0.0077529200000000, -0.0010529400000000 ] - [ -0.0002221500000000, -0.0073433000000000, 0.0008938700000000 ] - [ -0.0004517600000000, -0.0077221000000000, 0.0011724000000000 ] - [ 0.0000975200000000, -0.0079080600000000, 0.0011271400000000 ] - [ -0.0004774600000000, -0.0076194300000000, 0.0011707500000000 ] - [ 0.0022964200000000, -0.0077398900000000, -0.0023080300000000 ] - [ -0.0007870300000000, -0.0070686900000000, -0.0013520900000000 ] - [ 0.0001251100000000, -0.0072562600000000, -0.0013483400000000 ] - [ -0.0005384900000000, -0.0079433300000000, -0.0009639300000000 ] - [ 0.0004771900000000, -0.0080940300000000, 0.0018471200000000 ] - [ 0.0000782200000000, -0.0077576300000000, 0.0007377200000000 ] - [ 0.0003597700000000, -0.0075237100000000, 0.0012498400000000 ] - [ 0.0000424400000000, -0.0079078300000000, 0.0008641700000000 ] - [ -0.0002221500000000, 0.0073433000000000, 0.0008938700000000 ] - [ -0.0004517600000000, 0.0077221000000000, 0.0011724000000000 ] - [ 0.0000975200000000, 0.0079080600000000, 0.0011271400000000 ] - [ -0.0004774600000000, 0.0076194300000000, 0.0011707500000000 ] - [ 0.0048453300000000, 0.0000000000000000, 0.0101602900000000 ] - [ 0.0051543700000000, 0.0000000000000000, 0.0102312100000000 ] - [ 0.0048971100000000, 0.0000000000000000, 0.0100876900000000 ] - [ 0.0051419300000000, 0.0000000000000000, 0.0100747400000000 ] - [ -0.0051634100000000, 0.0000707400000000, -0.0099299000000000 ] - [ -0.0050402700000000, -0.0001041000000000, -0.0101797700000000 ] - [ -0.0051634100000000, -0.0000707400000000, -0.0099299000000000 ] - [ -0.0050402700000000, 0.0001041000000000, -0.0101797700000000 ] - [ 0.0075500400000000, 0.0000000000000000, -0.0086032800000000 ] - [ 0.0043332400000000, 0.0000000000000000, -0.0103303600000000 ] - [ 0.0052179600000000, 0.0000000000000000, -0.0101249200000000 ] - [ 0.0047385500000000, 0.0000000000000000, -0.0100385300000000 ] - [ -0.0012158300000000, 0.0004660200000000, -0.0020480800000000 ] - [ -0.0018386000000000, -0.0001541500000000, -0.0013041900000000 ] - [ -0.0012158300000000, -0.0004660200000000, -0.0020480800000000 ] - [ -0.0018386000000000, 0.0001541500000000, -0.0013041900000000 ] - [ 0.0015634500000000, 0.0000000000000000, -0.0007691000000000 ] - [ 0.0011575900000000, 0.0000000000000000, -0.0014127600000000 ] - [ 0.0016420300000000, 0.0000000000000000, -0.0013584000000000 ] - [ 0.0013117500000000, 0.0000000000000000, -0.0014015200000000 ] - [ -0.0012160500000000, -0.0001679100000000, 0.0011963800000000 ] - [ -0.0016754300000000, -0.0000084100000000, 0.0014475200000000 ] - [ -0.0012160500000000, 0.0001679100000000, 0.0011963800000000 ] - [ -0.0016754300000000, 0.0000084100000000, 0.0014475200000000 ] - [ 0.0042928800000000, 0.0000000000000000, 0.0021524300000000 ] - [ -0.0000324000000000, 0.0000000000000000, 0.0010843800000000 ] - [ 0.0017026200000000, 0.0000000000000000, 0.0014093700000000 ] - [ 0.0013074600000000, 0.0000000000000000, 0.0012654300000000 ] - [ -0.0028069500000000, 0.0004787300000000, 0.0099919600000000 ] - [ -0.0056502900000000, -0.0000847500000000, 0.0101498600000000 ] - [ -0.0028069500000000, -0.0004787300000000, 0.0099919600000000 ] - [ -0.0056502900000000, 0.0000847500000000, 0.0101498600000000 ] - [ -0.0016410600000000, 0.0004925000000000, -0.0026771200000000 ] - [ -0.0015866800000000, -0.0001840300000000, -0.0019361000000000 ] - [ -0.0016410600000000, -0.0004925000000000, -0.0026771200000000 ] - [ -0.0015866800000000, 0.0001840300000000, -0.0019361000000000 ] - [ -0.0028011000000000, -0.0039345300000000, 0.0044076200000000 ] - [ 0.0004297700000000, 0.0004863400000000, 0.0024921300000000 ] - [ -0.0028011000000000, 0.0039345300000000, 0.0044076200000000 ] - [ 0.0004297700000000, -0.0004863400000000, 0.0024921300000000 ] - [ -0.0000911700000000, 0.0000000000000000, -0.0094763100000000 ] - [ 0.0010592400000000, 0.0000000000000000, -0.0017024500000000 ] - [ -0.0001919200000000, 0.0000000000000000, -0.0026472600000000 ] - [ 0.0006911000000000, 0.0000000000000000, -0.0027196900000000 ] - [ 0.0001437600000000, 0.0008378600000000, -0.0024812900000000 ] - [ 0.0000224200000000, -0.0000102500000000, -0.0029143800000000 ] - [ 0.0001437600000000, -0.0008378600000000, -0.0024812900000000 ] - [ 0.0000224200000000, 0.0000102500000000, -0.0029143800000000 ] - [ 0.0001635600000000, 0.0000000000000000, 0.0025117400000000 ] - [ 0.0006090800000000, 0.0000000000000000, 0.0026811500000000 ] - [ 0.0000892500000000, 0.0000000000000000, 0.0027889300000000 ] - [ 0.0004204000000000, 0.0000000000000000, 0.0027177300000000 ] - [ -0.0021893800000000, -0.0000140600000000, 0.0024518100000000 ] - [ -0.0016923100000000, 0.0000556800000000, 0.0023174200000000 ] - [ -0.0021893800000000, 0.0000140600000000, 0.0024518100000000 ] - [ -0.0016923100000000, -0.0000556800000000, 0.0023174200000000 ] - [ 0.0011530500000000, 0.0000000000000000, -0.0020389600000000 ] - [ 0.0021009600000000, 0.0000000000000000, -0.0024942500000000 ] - [ 0.0016629700000000, 0.0000000000000000, -0.0023336200000000 ] - [ 0.0020260900000000, 0.0000000000000000, -0.0024054200000000 ] - [ 0.0065109700000000, 0.0000000000000000, 0.0051364500000000 ] - [ 0.0058291400000000, 0.0000000000000000, 0.0026591900000000 ] - [ 0.0020736200000000, 0.0000000000000000, 0.0027501600000000 ] - [ 0.0018176700000000, 0.0000000000000000, 0.0022744000000000 ] - [ -0.0012345200000000, 0.0000000000000000, 0.0009937700000000 ] - [ -0.0005030300000000, 0.0000000000000000, -0.0001152800000000 ] - [ -0.0009429300000000, 0.0000000000000000, 0.0005126600000000 ] - [ -0.0006401500000000, 0.0000000000000000, 0.0002658900000000 ] - [ 0.0010813600000000, 0.0008673300000000, -0.0001180200000000 ] - [ 0.0017756000000000, -0.0006024400000000, -0.0006742700000000 ] - [ 0.0010813600000000, -0.0008673300000000, -0.0001180200000000 ] - [ 0.0017756000000000, 0.0006024400000000, -0.0006742700000000 ] - [ -0.0010685000000000, 0.0000000000000000, -0.0005985000000000 ] - [ -0.0005957000000000, 0.0000000000000000, -0.0002587100000000 ] - [ -0.0010003900000000, 0.0000000000000000, -0.0004341800000000 ] - [ -0.0006503800000000, 0.0000000000000000, -0.0003050000000000 ] - [ -0.0000060400000000, -0.0003426400000000, -0.0002890200000000 ] - [ 0.0011135000000000, 0.0000357100000000, 0.0005241300000000 ] - [ -0.0000060400000000, 0.0003426400000000, -0.0002890200000000 ] - [ 0.0011135000000000, -0.0000357100000000, 0.0005241300000000 ] - [ -0.0187831800000000, 0.0000000000000000, 0.0008175700000000 ] - [ 0.0012161600000000, 0.0000000000000000, -0.0005761000000000 ] - [ 0.0001683200000000, 0.0000000000000000, -0.0003812000000000 ] - [ 0.0007755000000000, 0.0000000000000000, -0.0005434900000000 ] - [ -0.0008934900000000, 0.0002489400000000, 0.0005214100000000 ] - [ -0.0002176100000000, -0.0000159500000000, 0.0004132400000000 ] - [ -0.0008934900000000, -0.0002489400000000, 0.0005214100000000 ] - [ -0.0002176100000000, 0.0000159500000000, 0.0004132400000000 ] - [ 0.0007769000000000, 0.0000000000000000, 0.0008282300000000 ] - [ 0.0007776900000000, 0.0000000000000000, -0.0000370000000000 ] - [ 0.0005013800000000, 0.0000000000000000, 0.0005474700000000 ] - [ 0.0005034200000000, 0.0000000000000000, 0.0003772000000000 ] - [ -0.0005184700000000, -0.0000484400000000, -0.0004565600000000 ] - [ -0.0004183700000000, 0.0000766800000000, -0.0005438900000000 ] - [ -0.0005184700000000, 0.0000484400000000, -0.0004565600000000 ] - [ -0.0004183700000000, -0.0000766800000000, -0.0005438900000000 ]- atom: 113 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000762900000000, 0.0077709400000000, -0.0011013700000000 ] - [ 0.0003769900000000, 0.0077690600000000, -0.0010767400000000 ] - [ 0.0000290200000000, 0.0079216400000000, -0.0011574700000000 ] - [ 0.0004355900000000, 0.0076638400000000, -0.0011241100000000 ] - [ 0.0001136800000000, 0.0079947600000000, 0.0008822700000000 ] - [ 0.0004317100000000, 0.0076134200000000, 0.0012667000000000 ] - [ -0.0000079000000000, 0.0074225600000000, 0.0002758000000000 ] - [ 0.0003973400000000, 0.0077618200000000, 0.0013917500000000 ] - [ -0.0026161400000000, 0.0077034900000000, 0.0001556500000000 ] - [ 0.0003154400000000, 0.0084571800000000, -0.0007781300000000 ] - [ -0.0005960500000000, 0.0082549600000000, -0.0007883300000000 ] - [ 0.0000648300000000, 0.0075761900000000, -0.0011675100000000 ] - [ 0.0000290200000000, -0.0079216400000000, -0.0011574700000000 ] - [ 0.0004355900000000, -0.0076638400000000, -0.0011241100000000 ] - [ 0.0000762900000000, -0.0077709400000000, -0.0011013700000000 ] - [ 0.0003769900000000, -0.0077690600000000, -0.0010767400000000 ] - [ -0.0002574300000000, -0.0081649400000000, 0.0012377500000000 ] - [ -0.0000236100000000, -0.0077967400000000, 0.0009615600000000 ] - [ -0.0005740800000000, -0.0076052400000000, 0.0010094400000000 ] - [ 0.0000032200000000, -0.0079008400000000, 0.0009594200000000 ] - [ -0.0026161400000000, -0.0077034900000000, 0.0001556500000000 ] - [ 0.0003154400000000, -0.0084571800000000, -0.0007781300000000 ] - [ -0.0005960500000000, -0.0082549600000000, -0.0007883300000000 ] - [ 0.0000648300000000, -0.0075761900000000, -0.0011675100000000 ] - [ -0.0000079000000000, -0.0074225600000000, 0.0002758000000000 ] - [ 0.0003973400000000, -0.0077618200000000, 0.0013917500000000 ] - [ 0.0001136800000000, -0.0079947600000000, 0.0008822700000000 ] - [ 0.0004317100000000, -0.0076134200000000, 0.0012667000000000 ] - [ -0.0002574300000000, 0.0081649400000000, 0.0012377500000000 ] - [ -0.0000236100000000, 0.0077967400000000, 0.0009615600000000 ] - [ -0.0005740800000000, 0.0076052400000000, 0.0010094400000000 ] - [ 0.0000032200000000, 0.0079008400000000, 0.0009594200000000 ] - [ 0.0051955000000000, 0.0000000000000000, 0.0099756300000000 ] - [ 0.0048900200000000, 0.0000000000000000, 0.0099048300000000 ] - [ 0.0051443300000000, 0.0000000000000000, 0.0100475200000000 ] - [ 0.0049019800000000, 0.0000000000000000, 0.0100603900000000 ] - [ -0.0048801900000000, -0.0000699800000000, -0.0102054700000000 ] - [ -0.0050052800000000, 0.0001030500000000, -0.0099557800000000 ] - [ -0.0048801900000000, 0.0000699800000000, -0.0102054700000000 ] - [ -0.0050052800000000, -0.0001030500000000, -0.0099557800000000 ] - [ 0.0024628400000000, 0.0000000000000000, -0.0115190300000000 ] - [ 0.0057082400000000, 0.0000000000000000, -0.0098104000000000 ] - [ 0.0048208000000000, 0.0000000000000000, -0.0100105600000000 ] - [ 0.0053048300000000, 0.0000000000000000, -0.0100995200000000 ] - [ -0.0017360600000000, -0.0004616500000000, -0.0007813600000000 ] - [ -0.0011253500000000, 0.0001537800000000, -0.0015207800000000 ] - [ -0.0017360600000000, 0.0004616500000000, -0.0007813600000000 ] - [ -0.0011253500000000, -0.0001537800000000, -0.0015207800000000 ] - [ 0.0014024300000000, 0.0000000000000000, -0.0020497800000000 ] - [ 0.0018023800000000, 0.0000000000000000, -0.0014108800000000 ] - [ 0.0013234900000000, 0.0000000000000000, -0.0014637600000000 ] - [ 0.0016451500000000, 0.0000000000000000, -0.0014236400000000 ] - [ -0.0017421200000000, 0.0001675100000000, 0.0016258600000000 ] - [ -0.0012809400000000, 0.0000082900000000, 0.0013770700000000 ] - [ -0.0017421200000000, -0.0001675100000000, 0.0016258600000000 ] - [ -0.0012809400000000, -0.0000082900000000, 0.0013770700000000 ] - [ -0.0016056600000000, 0.0000000000000000, 0.0007162900000000 ] - [ 0.0029788400000000, 0.0000000000000000, 0.0017394900000000 ] - [ 0.0012509700000000, 0.0000000000000000, 0.0014150500000000 ] - [ 0.0016561500000000, 0.0000000000000000, 0.0015597900000000 ] - [ -0.0072204600000000, -0.0004959800000000, 0.0101467700000000 ] - [ -0.0043924500000000, 0.0000864500000000, 0.0099866100000000 ] - [ -0.0072204600000000, 0.0004959800000000, 0.0101467700000000 ] - [ -0.0043924500000000, -0.0000864500000000, 0.0099866100000000 ] - [ -0.0021018800000000, -0.0004966200000000, -0.0020585900000000 ] - [ -0.0021499700000000, 0.0001810600000000, -0.0028092200000000 ] - [ -0.0021018800000000, 0.0004966200000000, -0.0020585900000000 ] - [ -0.0021499700000000, -0.0001810600000000, -0.0028092200000000 ] - [ 0.0022908100000000, 0.0039083300000000, 0.0011673000000000 ] - [ -0.0009067400000000, -0.0004894400000000, 0.0030752000000000 ] - [ 0.0022908100000000, -0.0039083300000000, 0.0011673000000000 ] - [ -0.0009067400000000, 0.0004894400000000, 0.0030752000000000 ] - [ 0.0006119000000000, 0.0000000000000000, 0.0039904900000000 ] - [ -0.0005882800000000, 0.0000000000000000, -0.0038554500000000 ] - [ 0.0006699300000000, 0.0000000000000000, -0.0029189100000000 ] - [ -0.0002215300000000, 0.0000000000000000, -0.0028483600000000 ] - [ -0.0006145800000000, -0.0008339400000000, -0.0030832200000000 ] - [ -0.0004882800000000, 0.0000091900000000, -0.0026497000000000 ] - [ -0.0006145800000000, 0.0008339400000000, -0.0030832200000000 ] - [ -0.0004882800000000, -0.0000091900000000, -0.0026497000000000 ] - [ 0.0003004200000000, 0.0000000000000000, 0.0030541200000000 ] - [ -0.0001401900000000, 0.0000000000000000, 0.0028851700000000 ] - [ 0.0003761900000000, 0.0000000000000000, 0.0027760200000000 ] - [ 0.0000478300000000, 0.0000000000000000, 0.0028484800000000 ] - [ -0.0015513200000000, 0.0000139900000000, 0.0022875100000000 ] - [ -0.0020488200000000, -0.0000545700000000, 0.0024233400000000 ] - [ -0.0015513200000000, -0.0000139900000000, 0.0022875100000000 ] - [ -0.0020488200000000, 0.0000545700000000, 0.0024233400000000 ] - [ 0.0025871100000000, 0.0000000000000000, -0.0027027500000000 ] - [ 0.0016399500000000, 0.0000000000000000, -0.0022412100000000 ] - [ 0.0020740100000000, 0.0000000000000000, -0.0024072200000000 ] - [ 0.0017134500000000, 0.0000000000000000, -0.0023326700000000 ] - [ -0.0026989700000000, 0.0000000000000000, -0.0003700300000000 ] - [ -0.0021328100000000, 0.0000000000000000, 0.0020891600000000 ] - [ 0.0016685200000000, 0.0000000000000000, 0.0019878100000000 ] - [ 0.0019248400000000, 0.0000000000000000, 0.0024671600000000 ] - [ -0.0003991000000000, 0.0000000000000000, -0.0002760900000000 ] - [ -0.0011244000000000, 0.0000000000000000, 0.0008288400000000 ] - [ -0.0006859100000000, 0.0000000000000000, 0.0002006300000000 ] - [ -0.0009868600000000, 0.0000000000000000, 0.0004460500000000 ] - [ 0.0005467700000000, -0.0008754300000000, -0.0005983900000000 ] - [ -0.0001466800000000, 0.0006006000000000, -0.0000381800000000 ] - [ 0.0005467700000000, 0.0008754300000000, -0.0005983900000000 ] - [ -0.0001466800000000, -0.0006006000000000, -0.0000381800000000 ] - [ -0.0005552200000000, 0.0000000000000000, -0.0001247700000000 ] - [ -0.0010319500000000, 0.0000000000000000, -0.0004541500000000 ] - [ -0.0006259700000000, 0.0000000000000000, -0.0002809200000000 ] - [ -0.0009768200000000, 0.0000000000000000, -0.0004077500000000 ] - [ 0.0016267200000000, 0.0003433300000000, 0.0010051300000000 ] - [ 0.0005132400000000, -0.0000361400000000, 0.0001873600000000 ] - [ 0.0016267200000000, -0.0003433300000000, 0.0010051300000000 ] - [ 0.0005132400000000, 0.0000361400000000, 0.0001873600000000 ] - [ 0.0197774500000000, 0.0000000000000000, -0.0019215500000000 ] - [ -0.0002247700000000, 0.0000000000000000, -0.0004051300000000 ] - [ 0.0008198600000000, 0.0000000000000000, -0.0005976900000000 ] - [ 0.0002142000000000, 0.0000000000000000, -0.0004374700000000 ] - [ -0.0000954500000000, -0.0002428100000000, 0.0004533100000000 ] - [ -0.0007727700000000, 0.0000153600000000, 0.0005674500000000 ] - [ -0.0000954500000000, 0.0002428100000000, 0.0004533100000000 ] - [ -0.0007727700000000, -0.0000153600000000, 0.0005674500000000 ] - [ 0.0002121300000000, 0.0000000000000000, 0.0001500100000000 ] - [ 0.0002125700000000, 0.0000000000000000, 0.0010160400000000 ] - [ 0.0004865800000000, 0.0000000000000000, 0.0004334700000000 ] - [ 0.0004883100000000, 0.0000000000000000, 0.0006040500000000 ] - [ -0.0004731000000000, 0.0000484300000000, -0.0005249900000000 ] - [ -0.0005713700000000, -0.0000767000000000, -0.0004373100000000 ] - [ -0.0004731000000000, -0.0000484300000000, -0.0005249900000000 ] - [ -0.0005713700000000, 0.0000767000000000, -0.0004373100000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003373600000000, 0.0074118200000000, -0.0012467200000000 ] - [ 0.0002195700000000, 0.0077054100000000, -0.0010834300000000 ] - [ 0.0001546000000000, 0.0081440700000000, -0.0009938300000000 ] - [ 0.0002637000000000, 0.0078148700000000, -0.0010728200000000 ] - [ 0.0002118800000000, 0.0075732600000000, 0.0011098300000000 ] - [ 0.0003623700000000, 0.0074319000000000, 0.0011799800000000 ] - [ 0.0001568700000000, 0.0080760500000000, 0.0010781400000000 ] - [ 0.0001053900000000, 0.0080897000000000, 0.0010171200000000 ] - [ -0.0001710300000000, 0.0089838600000000, -0.0007046900000000 ] - [ -0.0002495300000000, 0.0080582600000000, -0.0009952600000000 ] - [ -0.0011284400000000, 0.0066178500000000, -0.0009035300000000 ] - [ -0.0000651900000000, 0.0075807000000000, -0.0011684100000000 ] - [ 0.0003166000000000, -0.0073809000000000, -0.0011504400000000 ] - [ 0.0002032100000000, -0.0077126800000000, -0.0010694600000000 ] - [ 0.0001325100000000, -0.0081119400000000, -0.0008992700000000 ] - [ 0.0002496700000000, -0.0078178000000000, -0.0010577900000000 ] - [ -0.0000241300000000, -0.0081169200000000, 0.0014324600000000 ] - [ -0.0002632800000000, -0.0076423900000000, 0.0011319900000000 ] - [ -0.0003430200000000, -0.0081465300000000, 0.0009414900000000 ] - [ -0.0001811400000000, -0.0079196300000000, 0.0009834000000000 ] - [ -0.0002563700000000, -0.0065151200000000, -0.0014331500000000 ] - [ -0.0002199000000000, -0.0074613200000000, -0.0011490200000000 ] - [ 0.0006468400000000, -0.0089070700000000, -0.0012354200000000 ] - [ -0.0004037800000000, -0.0079468700000000, -0.0009728000000000 ] - [ 0.0003092400000000, -0.0074548200000000, 0.0010659600000000 ] - [ 0.0003635200000000, -0.0074354700000000, 0.0011321400000000 ] - [ 0.0002577800000000, -0.0079505500000000, 0.0010344100000000 ] - [ 0.0001071400000000, -0.0080865400000000, 0.0009670000000000 ] - [ -0.0004520500000000, 0.0073958700000000, 0.0007050600000000 ] - [ -0.0002084000000000, 0.0078846100000000, 0.0010095500000000 ] - [ -0.0001247800000000, 0.0073854900000000, 0.0012006100000000 ] - [ -0.0002912400000000, 0.0076073900000000, 0.0011583100000000 ] - [ 0.0050180200000000, 0.0000493000000000, 0.0100676600000000 ] - [ 0.0050178600000000, 0.0000891600000000, 0.0100679000000000 ] - [ 0.0050165000000000, -0.0000464900000000, 0.0100676000000000 ] - [ 0.0050190000000000, -0.0000947900000000, 0.0100676800000000 ] - [ -0.0048529400000000, 0.0000056700000000, -0.0101119800000000 ] - [ -0.0052742200000000, -0.0000717300000000, -0.0101871900000000 ] - [ -0.0051882500000000, 0.0000059100000000, -0.0100225400000000 ] - [ -0.0047640300000000, -0.0000696700000000, -0.0099467700000000 ] - [ 0.0050087900000000, 0.0011613100000000, -0.0100674500000000 ] - [ 0.0050175500000000, 0.0000334900000000, -0.0100682700000000 ] - [ 0.0050211600000000, -0.0010216900000000, -0.0100703200000000 ] - [ 0.0050151800000000, -0.0000570000000000, -0.0100685100000000 ] - [ -0.0003324500000000, -0.0001611700000000, -0.0009348400000000 ] - [ -0.0016157000000000, 0.0000085900000000, -0.0012787600000000 ] - [ -0.0026504100000000, -0.0001595700000000, -0.0018727200000000 ] - [ -0.0013470600000000, 0.0000108900000000, -0.0015277400000000 ] - [ 0.0014821000000000, 0.0001269300000000, -0.0014067300000000 ] - [ 0.0014785400000000, 0.0000197200000000, -0.0014029700000000 ] - [ 0.0014777900000000, -0.0001942400000000, -0.0014020600000000 ] - [ 0.0014803700000000, -0.0000145500000000, -0.0014047000000000 ] - [ -0.0016312300000000, -0.0001068200000000, 0.0011133100000000 ] - [ -0.0014010200000000, -0.0000035300000000, 0.0013729100000000 ] - [ -0.0013341100000000, -0.0001042500000000, 0.0016923000000000 ] - [ -0.0015631700000000, -0.0000033100000000, 0.0014345200000000 ] - [ 0.0014753300000000, -0.0003914100000000, 0.0014048300000000 ] - [ 0.0014777200000000, 0.0003750900000000, 0.0013996800000000 ] - [ 0.0014816400000000, -0.0001969100000000, 0.0014028600000000 ] - [ 0.0014772600000000, -0.0002844400000000, 0.0014042100000000 ] - [ -0.0031321400000000, -0.0010133900000000, 0.0106732300000000 ] - [ -0.0049718400000000, 0.0000206500000000, 0.0100316200000000 ] - [ -0.0069304300000000, -0.0008946900000000, 0.0094884000000000 ] - [ -0.0050702100000000, 0.0000211200000000, 0.0101045400000000 ] - [ -0.0016029400000000, 0.0000016700000000, -0.0026706000000000 ] - [ -0.0025000700000000, 0.0000034500000000, -0.0025178400000000 ] - [ -0.0021325800000000, -0.0000031200000000, -0.0020835200000000 ] - [ -0.0012296700000000, 0.0000015700000000, -0.0022449600000000 ] - [ -0.0056084500000000, 0.0027043900000000, 0.0020160900000000 ] - [ -0.0002043500000000, -0.0000622900000000, 0.0028635100000000 ] - [ 0.0052089400000000, 0.0027281000000000, 0.0035584700000000 ] - [ -0.0002721800000000, -0.0000671500000000, 0.0027010100000000 ] - [ 0.0002618900000000, -0.0009567300000000, -0.0027869300000000 ] - [ 0.0002489500000000, -0.0001006800000000, -0.0027763600000000 ] - [ 0.0002406300000000, 0.0003897100000000, -0.0027742900000000 ] - [ 0.0002531700000000, 0.0001997800000000, -0.0027751300000000 ] - [ 0.0002176300000000, 0.0008514800000000, -0.0025796200000000 ] - [ -0.0004282800000000, -0.0000159700000000, -0.0027788100000000 ] - [ -0.0006866300000000, 0.0008419600000000, -0.0029850800000000 ] - [ -0.0000435000000000, -0.0000160900000000, -0.0027848800000000 ] - [ 0.0002406600000000, -0.0002230200000000, 0.0027791500000000 ] - [ 0.0002434200000000, -0.0000571900000000, 0.0027765600000000 ] - [ 0.0002431600000000, 0.0003366300000000, 0.0027776300000000 ] - [ 0.0002409500000000, 0.0000458100000000, 0.0027762400000000 ] - [ -0.0019568200000000, -0.0000414700000000, 0.0025688600000000 ] - [ -0.0018772700000000, 0.0000096000000000, 0.0023831400000000 ] - [ -0.0017866400000000, -0.0000438600000000, 0.0021683700000000 ] - [ -0.0018619700000000, 0.0000095900000000, 0.0023511400000000 ] - [ 0.0018693600000000, -0.0008702800000000, -0.0023642900000000 ] - [ 0.0018702300000000, -0.0000985300000000, -0.0023625300000000 ] - [ 0.0018687400000000, 0.0004161700000000, -0.0023657100000000 ] - [ 0.0018702300000000, 0.0001443000000000, -0.0023618800000000 ] - [ 0.0018598100000000, -0.0031364200000000, 0.0023675300000000 ] - [ 0.0018772400000000, 0.0002257400000000, 0.0023748000000000 ] - [ 0.0018695100000000, 0.0009387700000000, 0.0023662300000000 ] - [ 0.0018670500000000, 0.0001537500000000, 0.0023641500000000 ] - [ -0.0008143500000000, -0.0002169700000000, 0.0003581300000000 ] - [ -0.0008116100000000, -0.0000830000000000, 0.0003563900000000 ] - [ -0.0008115300000000, 0.0002704500000000, 0.0003591400000000 ] - [ -0.0008121100000000, 0.0000668300000000, 0.0003582900000000 ] - [ 0.0018199200000000, 0.0002839200000000, -0.0002794200000000 ] - [ 0.0001988300000000, 0.0002511200000000, -0.0001879500000000 ] - [ -0.0002073800000000, 0.0002832200000000, -0.0004377100000000 ] - [ 0.0014243200000000, 0.0002481000000000, -0.0005263400000000 ] - [ -0.0008112300000000, -0.0001049900000000, -0.0003635500000000 ] - [ -0.0008112900000000, -0.0000476600000000, -0.0003572400000000 ] - [ -0.0008131400000000, 0.0002147600000000, -0.0003580200000000 ] - [ -0.0008114200000000, 0.0000391200000000, -0.0003572200000000 ] - [ 0.0005695200000000, 0.0007802200000000, 0.0019629700000000 ] - [ 0.0008349300000000, -0.0000124200000000, 0.0003720900000000 ] - [ 0.0010533700000000, 0.0007833700000000, -0.0012647500000000 ] - [ 0.0007869000000000, -0.0000131200000000, 0.0003444400000000 ] - [ 0.0004355500000000, -0.0056900000000000, -0.0004957100000000 ] - [ 0.0004956800000000, -0.0000457800000000, -0.0004899500000000 ] - [ 0.0004944300000000, 0.0026773900000000, -0.0004906300000000 ] - [ 0.0004949800000000, 0.0000812600000000, -0.0004898300000000 ] - [ -0.0002511000000000, -0.0000129300000000, -0.0010351000000000 ] - [ -0.0005102700000000, 0.0000036900000000, 0.0004820900000000 ] - [ -0.0007430000000000, -0.0000197100000000, 0.0020307600000000 ] - [ -0.0004793600000000, 0.0000033700000000, 0.0004992200000000 ] - [ 0.0004952200000000, -0.0003086300000000, 0.0004913500000000 ] - [ 0.0004946100000000, -0.0003088600000000, 0.0004909700000000 ] - [ 0.0004930700000000, 0.0001930200000000, 0.0004902400000000 ] - [ 0.0004964900000000, 0.0001931000000000, 0.0004899500000000 ] - [ -0.0005437200000000, -0.0000052400000000, -0.0004981000000000 ] - [ -0.0004191900000000, 0.0000004400000000, -0.0004416700000000 ] - [ -0.0004467600000000, -0.0000057900000000, -0.0004838000000000 ] - [ -0.0005721300000000, -0.0000007100000000, -0.0005405600000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002800500000000, 0.0076678000000000, -0.0012982800000000 ] - [ 0.0002493400000000, 0.0077570600000000, -0.0011037600000000 ] - [ 0.0002297200000000, 0.0078237500000000, -0.0016366400000000 ] - [ 0.0002531700000000, 0.0077193200000000, -0.0011389700000000 ] - [ 0.0003658000000000, 0.0079621300000000, 0.0011231000000000 ] - [ 0.0002704600000000, 0.0077601800000000, 0.0011307200000000 ] - [ 0.0014027000000000, 0.0068553500000000, 0.0009739900000000 ] - [ 0.0001265600000000, 0.0076423400000000, 0.0011658200000000 ] - [ 0.0002867900000000, 0.0072482500000000, -0.0000911100000000 ] - [ -0.0000068200000000, 0.0081349600000000, -0.0009588600000000 ] - [ -0.0004793900000000, 0.0078346700000000, -0.0008683500000000 ] - [ -0.0002553900000000, 0.0077406500000000, -0.0009557400000000 ] - [ 0.0002297200000000, -0.0078237500000000, -0.0016366400000000 ] - [ 0.0002531700000000, -0.0077193200000000, -0.0011389700000000 ] - [ 0.0002800500000000, -0.0076678000000000, -0.0012982800000000 ] - [ 0.0002493400000000, -0.0077570600000000, -0.0011037600000000 ] - [ -0.0003945600000000, -0.0070762800000000, 0.0005897300000000 ] - [ -0.0001415700000000, -0.0077456100000000, 0.0010736200000000 ] - [ -0.0003613200000000, -0.0080583600000000, 0.0009201200000000 ] - [ -0.0001583400000000, -0.0078031300000000, 0.0010417300000000 ] - [ 0.0002867900000000, -0.0072482500000000, -0.0000911100000000 ] - [ -0.0000068200000000, -0.0081349600000000, -0.0009588600000000 ] - [ -0.0004793900000000, -0.0078346700000000, -0.0008683500000000 ] - [ -0.0002553900000000, -0.0077406500000000, -0.0009557400000000 ] - [ 0.0014027000000000, -0.0068553500000000, 0.0009739900000000 ] - [ 0.0001265600000000, -0.0076423400000000, 0.0011658200000000 ] - [ 0.0003658000000000, -0.0079621300000000, 0.0011231000000000 ] - [ 0.0002704600000000, -0.0077601800000000, 0.0011307200000000 ] - [ -0.0003945600000000, 0.0070762800000000, 0.0005897300000000 ] - [ -0.0001415700000000, 0.0077456100000000, 0.0010736200000000 ] - [ -0.0003613200000000, 0.0080583600000000, 0.0009201200000000 ] - [ -0.0001583400000000, 0.0078031300000000, 0.0010417300000000 ] - [ 0.0050624500000000, 0.0000000000000000, 0.0099474000000000 ] - [ 0.0051757500000000, 0.0000000000000000, 0.0097296000000000 ] - [ 0.0049866200000000, 0.0000000000000000, 0.0099680800000000 ] - [ 0.0050712900000000, 0.0000000000000000, 0.0100448400000000 ] - [ -0.0048865000000000, -0.0000244000000000, -0.0100918100000000 ] - [ -0.0055218500000000, -0.0002394100000000, -0.0102453100000000 ] - [ -0.0048865000000000, 0.0000244000000000, -0.0100918100000000 ] - [ -0.0055218500000000, 0.0002394100000000, -0.0102453100000000 ] - [ 0.0072912900000000, 0.0000000000000000, 0.0000183800000000 ] - [ 0.0051742900000000, 0.0000000000000000, -0.0101257100000000 ] - [ 0.0050262300000000, 0.0000000000000000, -0.0098705500000000 ] - [ 0.0050936700000000, 0.0000000000000000, -0.0100663700000000 ] - [ -0.0018636500000000, 0.0000103300000000, -0.0010923300000000 ] - [ -0.0011703800000000, 0.0000963800000000, -0.0012353900000000 ] - [ -0.0018636500000000, -0.0000103300000000, -0.0010923300000000 ] - [ -0.0011703800000000, -0.0000963800000000, -0.0012353900000000 ] - [ 0.0017304500000000, 0.0000000000000000, -0.0026953200000000 ] - [ 0.0013482400000000, 0.0000000000000000, -0.0014771500000000 ] - [ 0.0015367400000000, 0.0000000000000000, -0.0015910500000000 ] - [ 0.0014308600000000, 0.0000000000000000, -0.0014573300000000 ] - [ -0.0015216600000000, -0.0002901800000000, 0.0008599500000000 ] - [ -0.0013955900000000, 0.0000047800000000, 0.0013722600000000 ] - [ -0.0015216600000000, 0.0002901800000000, 0.0008599500000000 ] - [ -0.0013955900000000, -0.0000047800000000, 0.0013722600000000 ] - [ 0.0021072100000000, 0.0000000000000000, 0.0010471500000000 ] - [ 0.0012116800000000, 0.0000000000000000, 0.0018094300000000 ] - [ 0.0015463500000000, 0.0000000000000000, 0.0014874400000000 ] - [ 0.0014961700000000, 0.0000000000000000, 0.0014453400000000 ] - [ -0.0054094300000000, -0.0008237000000000, 0.0114343400000000 ] - [ -0.0047753600000000, 0.0000284000000000, 0.0101184800000000 ] - [ -0.0054094300000000, 0.0008237000000000, 0.0114343400000000 ] - [ -0.0047753600000000, -0.0000284000000000, 0.0101184800000000 ] - [ -0.0021007700000000, -0.0005025100000000, -0.0027329900000000 ] - [ -0.0017787000000000, 0.0000182700000000, -0.0026041900000000 ] - [ -0.0021007700000000, 0.0005025100000000, -0.0027329900000000 ] - [ -0.0017787000000000, -0.0000182700000000, -0.0026041900000000 ] - [ 0.0011871900000000, -0.0001634200000000, 0.0019732700000000 ] - [ -0.0004030000000000, -0.0001547600000000, 0.0027017400000000 ] - [ 0.0011871900000000, 0.0001634200000000, 0.0019732700000000 ] - [ -0.0004030000000000, 0.0001547600000000, 0.0027017400000000 ] - [ -0.0084809900000000, 0.0000000000000000, -0.0001052200000000 ] - [ 0.0002084100000000, 0.0000000000000000, -0.0028688700000000 ] - [ 0.0001898600000000, 0.0000000000000000, -0.0029954900000000 ] - [ 0.0001130700000000, 0.0000000000000000, -0.0028402000000000 ] - [ 0.0007480000000000, 0.0017557200000000, -0.0020255600000000 ] - [ -0.0003829300000000, 0.0000058000000000, -0.0027407800000000 ] - [ 0.0007480000000000, -0.0017557200000000, -0.0020255600000000 ] - [ -0.0003829300000000, -0.0000058000000000, -0.0027407800000000 ] - [ -0.0003407900000000, 0.0000000000000000, 0.0041860900000000 ] - [ 0.0002504100000000, 0.0000000000000000, 0.0028482000000000 ] - [ 0.0001161100000000, 0.0000000000000000, 0.0028720800000000 ] - [ 0.0002906300000000, 0.0000000000000000, 0.0028799400000000 ] - [ -0.0020437200000000, 0.0000524800000000, 0.0026235100000000 ] - [ -0.0019057000000000, -0.0000107000000000, 0.0024032700000000 ] - [ -0.0020437200000000, -0.0000524800000000, 0.0026235100000000 ] - [ -0.0019057000000000, 0.0000107000000000, 0.0024032700000000 ] - [ 0.0016758300000000, 0.0000000000000000, -0.0014317800000000 ] - [ 0.0018728100000000, 0.0000000000000000, -0.0023594800000000 ] - [ 0.0017715300000000, 0.0000000000000000, -0.0020884700000000 ] - [ 0.0018660500000000, 0.0000000000000000, -0.0023416500000000 ] - [ 0.0029420100000000, 0.0000000000000000, 0.0008680500000000 ] - [ 0.0004815600000000, 0.0000000000000000, 0.0031696100000000 ] - [ 0.0018423700000000, 0.0000000000000000, 0.0022917600000000 ] - [ 0.0017973400000000, 0.0000000000000000, 0.0023009700000000 ] - [ 0.0000336800000000, 0.0000000000000000, 0.0008009600000000 ] - [ -0.0011980800000000, 0.0000000000000000, 0.0005120900000000 ] - [ -0.0007933900000000, 0.0000000000000000, 0.0004642900000000 ] - [ -0.0009448900000000, 0.0000000000000000, 0.0004994800000000 ] - [ 0.0010880000000000, 0.0000498300000000, -0.0009183600000000 ] - [ 0.0005274100000000, 0.0001995200000000, -0.0003272000000000 ] - [ 0.0010880000000000, -0.0000498300000000, -0.0009183600000000 ] - [ 0.0005274100000000, -0.0001995200000000, -0.0003272000000000 ] - [ -0.0007285500000000, 0.0000000000000000, 0.0013952200000000 ] - [ -0.0008554200000000, 0.0000000000000000, -0.0002623200000000 ] - [ -0.0007257100000000, 0.0000000000000000, -0.0000543400000000 ] - [ -0.0008494200000000, 0.0000000000000000, -0.0002829200000000 ] - [ 0.0004557700000000, 0.0010341800000000, 0.0006413500000000 ] - [ 0.0007796300000000, -0.0000164100000000, 0.0002233000000000 ] - [ 0.0004557700000000, -0.0010341800000000, 0.0006413500000000 ] - [ 0.0007796300000000, 0.0000164100000000, 0.0002233000000000 ] - [ 0.0019183000000000, 0.0000000000000000, -0.0181610100000000 ] - [ 0.0004098200000000, 0.0000000000000000, -0.0004912000000000 ] - [ 0.0006039600000000, 0.0000000000000000, -0.0006497800000000 ] - [ 0.0004418300000000, 0.0000000000000000, -0.0005331000000000 ] - [ -0.0004611700000000, -0.0015395900000000, 0.0008644000000000 ] - [ -0.0005727300000000, -0.0000087100000000, 0.0005492000000000 ] - [ -0.0004611700000000, 0.0015395900000000, 0.0008644000000000 ] - [ -0.0005727300000000, 0.0000087100000000, 0.0005492000000000 ] - [ 0.0010207500000000, 0.0000000000000000, 0.0005518100000000 ] - [ 0.0001569800000000, 0.0000000000000000, 0.0005540100000000 ] - [ 0.0006083200000000, 0.0000000000000000, 0.0004540500000000 ] - [ 0.0004390300000000, 0.0000000000000000, 0.0004545200000000 ] - [ -0.0005290400000000, 0.0000064900000000, -0.0004305700000000 ] - [ -0.0004423700000000, -0.0000498400000000, -0.0002134400000000 ] - [ -0.0005290400000000, -0.0000064900000000, -0.0004305700000000 ] - [ -0.0004423700000000, 0.0000498400000000, -0.0002134400000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001876800000000, 0.0078578400000000, -0.0008365500000000 ] - [ 0.0002193900000000, 0.0077684700000000, -0.0010304400000000 ] - [ 0.0002377700000000, 0.0077000000000000, -0.0004956400000000 ] - [ 0.0002155000000000, 0.0078059500000000, -0.0009953800000000 ] - [ 0.0001038000000000, 0.0075630300000000, 0.0010134500000000 ] - [ 0.0001987600000000, 0.0077626200000000, 0.0010057700000000 ] - [ -0.0009221600000000, 0.0086616000000000, 0.0011604900000000 ] - [ 0.0003419400000000, 0.0078803300000000, 0.0009708900000000 ] - [ -0.0007454800000000, 0.0082705300000000, -0.0020402400000000 ] - [ -0.0004602500000000, 0.0073925200000000, -0.0011748900000000 ] - [ 0.0000122800000000, 0.0076915000000000, -0.0012664500000000 ] - [ -0.0002127600000000, 0.0077841400000000, -0.0011787500000000 ] - [ 0.0002377700000000, -0.0077000000000000, -0.0004956400000000 ] - [ 0.0002155000000000, -0.0078059500000000, -0.0009953800000000 ] - [ 0.0001876800000000, -0.0078578400000000, -0.0008365500000000 ] - [ 0.0002193900000000, -0.0077684700000000, -0.0010304400000000 ] - [ -0.0000881200000000, -0.0084323000000000, 0.0015363100000000 ] - [ -0.0003267800000000, -0.0077789100000000, 0.0010604700000000 ] - [ -0.0001080500000000, -0.0074642300000000, 0.0012146900000000 ] - [ -0.0003095800000000, -0.0077218500000000, 0.0010922100000000 ] - [ -0.0007454800000000, -0.0082705300000000, -0.0020402400000000 ] - [ -0.0004602500000000, -0.0073925200000000, -0.0011748900000000 ] - [ 0.0000122800000000, -0.0076915000000000, -0.0012664500000000 ] - [ -0.0002127600000000, -0.0077841400000000, -0.0011787500000000 ] - [ -0.0009221600000000, -0.0086616000000000, 0.0011604900000000 ] - [ 0.0003419400000000, -0.0078803300000000, 0.0009708900000000 ] - [ 0.0001038000000000, -0.0075630300000000, 0.0010134500000000 ] - [ 0.0001987600000000, -0.0077626200000000, 0.0010057700000000 ] - [ -0.0000881200000000, 0.0084323000000000, 0.0015363100000000 ] - [ -0.0003267800000000, 0.0077789100000000, 0.0010604700000000 ] - [ -0.0001080500000000, 0.0074642300000000, 0.0012146900000000 ] - [ -0.0003095800000000, 0.0077218500000000, 0.0010922100000000 ] - [ 0.0049889000000000, 0.0000000000000000, 0.0101843000000000 ] - [ 0.0048711200000000, 0.0000000000000000, 0.0104028000000000 ] - [ 0.0050640800000000, 0.0000000000000000, 0.0101645400000000 ] - [ 0.0049773700000000, 0.0000000000000000, 0.0100876800000000 ] - [ -0.0051637800000000, 0.0000242100000000, -0.0100424100000000 ] - [ -0.0045257400000000, 0.0002404400000000, -0.0098874300000000 ] - [ -0.0051637800000000, -0.0000242100000000, -0.0100424100000000 ] - [ -0.0045257400000000, -0.0002404400000000, -0.0098874300000000 ] - [ 0.0027284500000000, 0.0000000000000000, -0.0195971300000000 ] - [ 0.0048786000000000, 0.0000000000000000, -0.0100088900000000 ] - [ 0.0050220300000000, 0.0000000000000000, -0.0102595000000000 ] - [ 0.0049562800000000, 0.0000000000000000, -0.0100677600000000 ] - [ -0.0010940100000000, -0.0000107500000000, -0.0017208200000000 ] - [ -0.0017845700000000, -0.0000959700000000, -0.0015805000000000 ] - [ -0.0010940100000000, 0.0000107500000000, -0.0017208200000000 ] - [ -0.0017845700000000, 0.0000959700000000, -0.0015805000000000 ] - [ 0.0012304700000000, 0.0000000000000000, -0.0001133600000000 ] - [ 0.0016096400000000, 0.0000000000000000, -0.0013405300000000 ] - [ 0.0014182800000000, 0.0000000000000000, -0.0012270200000000 ] - [ 0.0015269800000000, 0.0000000000000000, -0.0013604500000000 ] - [ -0.0014341000000000, 0.0002921700000000, 0.0019577300000000 ] - [ -0.0015592100000000, -0.0000047900000000, 0.0014450300000000 ] - [ -0.0014341000000000, -0.0002921700000000, 0.0019577300000000 ] - [ -0.0015592100000000, 0.0000047900000000, 0.0014450300000000 ] - [ 0.0008837200000000, 0.0000000000000000, 0.0017527400000000 ] - [ 0.0017418700000000, 0.0000000000000000, 0.0010145100000000 ] - [ 0.0014075500000000, 0.0000000000000000, 0.0013310200000000 ] - [ 0.0014615000000000, 0.0000000000000000, 0.0013740300000000 ] - [ -0.0046403900000000, 0.0008083900000000, 0.0087060400000000 ] - [ -0.0052723300000000, -0.0000284200000000, 0.0100152800000000 ] - [ -0.0046403900000000, -0.0008083900000000, 0.0087060400000000 ] - [ -0.0052723300000000, 0.0000284200000000, 0.0100152800000000 ] - [ -0.0016453000000000, 0.0004998300000000, -0.0019957100000000 ] - [ -0.0019657400000000, -0.0000174300000000, -0.0021201600000000 ] - [ -0.0016453000000000, -0.0004998300000000, -0.0019957100000000 ] - [ -0.0019657400000000, 0.0000174300000000, -0.0021201600000000 ] - [ -0.0016616300000000, 0.0001754600000000, 0.0035781900000000 ] - [ -0.0000676300000000, 0.0001545900000000, 0.0028648800000000 ] - [ -0.0016616300000000, -0.0001754600000000, 0.0035781900000000 ] - [ -0.0000676300000000, -0.0001545900000000, 0.0028648800000000 ] - [ 0.0088573800000000, 0.0000000000000000, -0.0054078400000000 ] - [ 0.0002592800000000, 0.0000000000000000, -0.0027014100000000 ] - [ 0.0002807600000000, 0.0000000000000000, -0.0025748400000000 ] - [ 0.0003540800000000, 0.0000000000000000, -0.0027289100000000 ] - [ -0.0012201700000000, -0.0017660900000000, -0.0035484100000000 ] - [ -0.0000844100000000, -0.0000062900000000, -0.0028239900000000 ] - [ -0.0012201700000000, 0.0017660900000000, -0.0035484100000000 ] - [ -0.0000844100000000, 0.0000062900000000, -0.0028239900000000 ] - [ 0.0008142100000000, 0.0000000000000000, 0.0013674100000000 ] - [ 0.0002162000000000, 0.0000000000000000, 0.0027180900000000 ] - [ 0.0003534400000000, 0.0000000000000000, 0.0026937900000000 ] - [ 0.0001764400000000, 0.0000000000000000, 0.0026863800000000 ] - [ -0.0017003200000000, -0.0000534900000000, 0.0020997100000000 ] - [ -0.0018421700000000, 0.0000100200000000, 0.0023111700000000 ] - [ -0.0017003200000000, 0.0000534900000000, 0.0020997100000000 ] - [ -0.0018421700000000, -0.0000100200000000, 0.0023111700000000 ] - [ 0.0020678800000000, 0.0000000000000000, -0.0033024300000000 ] - [ 0.0018692300000000, 0.0000000000000000, -0.0023671800000000 ] - [ 0.0019736000000000, 0.0000000000000000, -0.0026366300000000 ] - [ 0.0018788400000000, 0.0000000000000000, -0.0023776700000000 ] - [ 0.0007856900000000, 0.0000000000000000, 0.0038193400000000 ] - [ 0.0032610300000000, 0.0000000000000000, 0.0015546700000000 ] - [ 0.0018999900000000, 0.0000000000000000, 0.0024254500000000 ] - [ 0.0019469600000000, 0.0000000000000000, 0.0024188400000000 ] - [ -0.0016510400000000, 0.0000000000000000, -0.0000907000000000 ] - [ -0.0004286700000000, 0.0000000000000000, 0.0001954200000000 ] - [ -0.0008291300000000, 0.0000000000000000, 0.0002435400000000 ] - [ -0.0006796900000000, 0.0000000000000000, 0.0002094800000000 ] - [ 0.0005384600000000, -0.0000483900000000, 0.0002105300000000 ] - [ 0.0010896600000000, -0.0001961900000000, -0.0003804900000000 ] - [ 0.0005384600000000, 0.0000483900000000, 0.0002105300000000 ] - [ 0.0010896600000000, 0.0001961900000000, -0.0003804900000000 ] - [ -0.0008982300000000, 0.0000000000000000, -0.0021090500000000 ] - [ -0.0007683800000000, 0.0000000000000000, -0.0004482400000000 ] - [ -0.0008979200000000, 0.0000000000000000, -0.0006557800000000 ] - [ -0.0007747800000000, 0.0000000000000000, -0.0004275000000000 ] - [ 0.0011725500000000, -0.0010402000000000, 0.0000726000000000 ] - [ 0.0008425400000000, 0.0000162800000000, 0.0004863100000000 ] - [ 0.0011725500000000, 0.0010402000000000, 0.0000726000000000 ] - [ 0.0008425400000000, -0.0000162800000000, 0.0004863100000000 ] - [ -0.0008176500000000, 0.0000000000000000, 0.0166921400000000 ] - [ 0.0005827800000000, 0.0000000000000000, -0.0004931400000000 ] - [ 0.0003902400000000, 0.0000000000000000, -0.0003331600000000 ] - [ 0.0005504600000000, 0.0000000000000000, -0.0004509200000000 ] - [ -0.0005323100000000, 0.0015272000000000, 0.0001180600000000 ] - [ -0.0004215000000000, 0.0000087000000000, 0.0004340500000000 ] - [ -0.0005323100000000, -0.0015272000000000, 0.0001180600000000 ] - [ -0.0004215000000000, -0.0000087000000000, 0.0004340500000000 ] - [ -0.0000300700000000, 0.0000000000000000, 0.0004313800000000 ] - [ 0.0008379200000000, 0.0000000000000000, 0.0004335400000000 ] - [ 0.0003823600000000, 0.0000000000000000, 0.0005295100000000 ] - [ 0.0005569700000000, 0.0000000000000000, 0.0005301900000000 ] - [ -0.0004636400000000, -0.0000070100000000, -0.0005543900000000 ] - [ -0.0005517200000000, 0.0000496700000000, -0.0007715900000000 ] - [ -0.0004636400000000, 0.0000070100000000, -0.0005543900000000 ] - [ -0.0005517200000000, -0.0000496700000000, -0.0007715900000000 ]