# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d30e304d-45b4-4068-b30f-8aed5a05fe22/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 La2Si2O7 / P2_1/c (14) / materials id 5732](https://mdr.nims.go.jp/datasets/f4b25a0f-bc35-4bc1-abea-1469d76a44bc) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.432902770000000, 0.000000000000000, -0.020642700000000 ] # a - [ 0.000000000000000, 8.750174769999999, 0.000000000000000 ] # b - [ -5.445634900000000, 0.000000000000000, 13.140802989999999 ] # c points: - symbol: O # 1 coordinates: [ 0.976567530000000, 0.827009690000000, 0.326510010000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.023432470000000, 0.327009690000000, 0.173489990000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.023432470000000, 0.172990310000000, 0.673489990000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.976567530000000, 0.672990310000000, 0.826510010000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.758728490000000, 0.084893940000000, 0.257974930000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.241271510000000, 0.584893940000000, 0.242025070000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.241271510000000, 0.915106060000000, 0.742025070000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.758728490000000, 0.415106060000000, 0.757974930000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.229692420000000, 0.029082260000000, 0.251456880000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.770307580000000, 0.529082260000000, 0.248543120000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.770307580000000, 0.970917740000000, 0.748543120000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.229692420000000, 0.470917740000000, 0.751456880000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.426824700000000, 0.261974510000000, 0.594277050000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.573175300000000, 0.761974510000000, 0.905722950000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.573175300000000, 0.738025490000000, 0.405722950000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.426824700000000, 0.238025490000000, 0.094277050000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.200829090000000, 0.421815550000000, 0.933840810000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.799170910000000, 0.921815550000000, 0.566159190000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.799170910000000, 0.578184450000000, 0.066159190000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.200829090000000, 0.078184450000000, 0.433840810000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.959745670000000, 0.153411840000000, 0.943048210000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.040254330000000, 0.653411840000000, 0.556951790000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.040254330000000, 0.846588160000000, 0.056951790000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.959745670000000, 0.346588160000000, 0.443048210000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.415692430000000, 0.144154940000000, 0.920681520000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.584307570000000, 0.644154940000000, 0.579318480000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.584307570000000, 0.855845060000000, 0.079318480000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.415692430000000, 0.355845060000000, 0.420681520000000 ] mass: 15.999400 - symbol: Si # 29 coordinates: [ 0.048939730000000, 0.005617010000000, 0.320125870000000 ] mass: 28.085500 - symbol: Si # 30 coordinates: [ 0.951060270000000, 0.505617010000000, 0.179874130000000 ] mass: 28.085500 - symbol: Si # 31 coordinates: [ 0.951060270000000, 0.994382990000000, 0.679874130000000 ] mass: 28.085500 - symbol: Si # 32 coordinates: [ 0.048939730000000, 0.494382990000000, 0.820125870000000 ] mass: 28.085500 - symbol: Si # 33 coordinates: [ 0.243583720000000, 0.254764160000000, 0.473364580000000 ] mass: 28.085500 - symbol: Si # 34 coordinates: [ 0.756416280000000, 0.754764160000000, 0.026635420000000 ] mass: 28.085500 - symbol: Si # 35 coordinates: [ 0.756416280000000, 0.745235840000000, 0.526635420000000 ] mass: 28.085500 - symbol: Si # 36 coordinates: [ 0.243583720000000, 0.245235840000000, 0.973364580000000 ] mass: 28.085500 - symbol: La # 37 coordinates: [ 0.168694070000000, 0.893121380000000, 0.910683050000000 ] mass: 138.905470 - symbol: La # 38 coordinates: [ 0.831305930000000, 0.393121380000000, 0.589316950000000 ] mass: 138.905470 - symbol: La # 39 coordinates: [ 0.831305930000000, 0.106878620000000, 0.089316950000000 ] mass: 138.905470 - symbol: La # 40 coordinates: [ 0.168694070000000, 0.606878620000000, 0.410683050000000 ] mass: 138.905470 - symbol: La # 41 coordinates: [ 0.483383960000000, 0.690270760000000, 0.731982570000000 ] mass: 138.905470 - symbol: La # 42 coordinates: [ 0.516616040000000, 0.190270760000000, 0.768017430000000 ] mass: 138.905470 - symbol: La # 43 coordinates: [ 0.516616040000000, 0.309729240000000, 0.268017430000000 ] mass: 138.905470 - symbol: La # 44 coordinates: [ 0.483383960000000, 0.809729240000000, 0.231982570000000 ] mass: 138.905470 reciprocal_lattice: # without 2pi - [ 0.184353943502563, 0.000000000000000, 0.076397482669374 ] # a* - [ -0.000000000000000, 0.114283431621104, 0.000000000000000 ] # b* - [ 0.000289598980552, 0.000000000000000, 0.076218862049579 ] # c*unit_cell: lattice: - [ 5.432902770000000, 0.000000000000000, -0.020642700000000 ] # a - [ 0.000000000000000, 8.750174769999999, 0.000000000000000 ] # b - [ -5.445634900000000, 0.000000000000000, 13.140802989999999 ] # c points: - symbol: O # 1 coordinates: [ 0.976567530000000, 0.827009690000000, 0.326510010000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.023432470000000, 0.327009690000000, 0.173489990000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.023432470000000, 0.172990310000000, 0.673489990000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.976567530000000, 0.672990310000000, 0.826510010000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.758728490000000, 0.084893940000000, 0.257974930000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.241271510000000, 0.584893940000000, 0.242025070000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.241271510000000, 0.915106060000000, 0.742025070000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.758728490000000, 0.415106060000000, 0.757974930000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.229692420000000, 0.029082260000000, 0.251456880000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.770307580000000, 0.529082260000000, 0.248543120000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.770307580000000, 0.970917740000000, 0.748543120000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.229692420000000, 0.470917740000000, 0.751456880000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.426824700000000, 0.261974510000000, 0.594277050000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.573175300000000, 0.761974510000000, 0.905722950000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.573175300000000, 0.738025490000000, 0.405722950000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.426824700000000, 0.238025490000000, 0.094277050000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.200829090000000, 0.421815550000000, 0.933840810000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.799170910000000, 0.921815550000000, 0.566159190000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.799170910000000, 0.578184450000000, 0.066159190000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.200829090000000, 0.078184450000000, 0.433840810000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.959745670000000, 0.153411840000000, 0.943048210000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.040254330000000, 0.653411840000000, 0.556951790000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.040254330000000, 0.846588160000000, 0.056951790000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.959745670000000, 0.346588160000000, 0.443048210000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.415692430000000, 0.144154940000000, 0.920681520000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.584307570000000, 0.644154940000000, 0.579318480000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.584307570000000, 0.855845060000000, 0.079318480000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.415692430000000, 0.355845060000000, 0.420681520000000 ] mass: 15.999400 reduced_to: 28 - symbol: Si # 29 coordinates: [ 0.048939730000000, 0.005617010000000, 0.320125870000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 30 coordinates: [ 0.951060270000000, 0.505617010000000, 0.179874130000000 ] mass: 28.085500 reduced_to: 30 - symbol: Si # 31 coordinates: [ 0.951060270000000, 0.994382990000000, 0.679874130000000 ] mass: 28.085500 reduced_to: 31 - symbol: Si # 32 coordinates: [ 0.048939730000000, 0.494382990000000, 0.820125870000000 ] mass: 28.085500 reduced_to: 32 - symbol: Si # 33 coordinates: [ 0.243583720000000, 0.254764160000000, 0.473364580000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 34 coordinates: [ 0.756416280000000, 0.754764160000000, 0.026635420000000 ] mass: 28.085500 reduced_to: 34 - symbol: Si # 35 coordinates: [ 0.756416280000000, 0.745235840000000, 0.526635420000000 ] mass: 28.085500 reduced_to: 35 - symbol: Si # 36 coordinates: [ 0.243583720000000, 0.245235840000000, 0.973364580000000 ] mass: 28.085500 reduced_to: 36 - symbol: La # 37 coordinates: [ 0.168694070000000, 0.893121380000000, 0.910683050000000 ] mass: 138.905470 reduced_to: 37 - symbol: La # 38 coordinates: [ 0.831305930000000, 0.393121380000000, 0.589316950000000 ] mass: 138.905470 reduced_to: 38 - symbol: La # 39 coordinates: [ 0.831305930000000, 0.106878620000000, 0.089316950000000 ] mass: 138.905470 reduced_to: 39 - symbol: La # 40 coordinates: [ 0.168694070000000, 0.606878620000000, 0.410683050000000 ] mass: 138.905470 reduced_to: 40 - symbol: La # 41 coordinates: [ 0.483383960000000, 0.690270760000000, 0.731982570000000 ] mass: 138.905470 reduced_to: 41 - symbol: La # 42 coordinates: [ 0.516616040000000, 0.190270760000000, 0.768017430000000 ] mass: 138.905470 reduced_to: 42 - symbol: La # 43 coordinates: [ 0.516616040000000, 0.309729240000000, 0.268017430000000 ] mass: 138.905470 reduced_to: 43 - symbol: La # 44 coordinates: [ 0.483383960000000, 0.809729240000000, 0.231982570000000 ] mass: 138.905470 reduced_to: 44supercell: lattice: - [ 10.865805540000000, 0.000000000000000, -0.041285400000000 ] # a - [ 0.000000000000000, 8.750174769999999, 0.000000000000000 ] # b - [ -5.445634900000000, 0.000000000000000, 13.140802989999999 ] # c points: - symbol: O # 1 coordinates: [ 0.488283765000000, 0.827009690000000, 0.326510010000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.988283765000000, 0.827009690000000, 0.326510010000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.011716235000000, 0.327009690000000, 0.173489990000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.511716235000000, 0.327009690000000, 0.173489990000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.011716235000000, 0.172990310000000, 0.673489990000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.511716235000000, 0.172990310000000, 0.673489990000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.488283765000000, 0.672990310000000, 0.826510010000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.988283765000000, 0.672990310000000, 0.826510010000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.379364245000000, 0.084893940000000, 0.257974930000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.879364245000000, 0.084893940000000, 0.257974930000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.120635755000000, 0.584893940000000, 0.242025070000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.620635755000000, 0.584893940000000, 0.242025070000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.120635755000000, 0.915106060000000, 0.742025070000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.620635755000000, 0.915106060000000, 0.742025070000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.379364245000000, 0.415106060000000, 0.757974930000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.879364245000000, 0.415106060000000, 0.757974930000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.114846210000000, 0.029082260000000, 0.251456880000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.614846210000000, 0.029082260000000, 0.251456880000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.385153790000000, 0.529082260000000, 0.248543120000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.885153790000000, 0.529082260000000, 0.248543120000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.385153790000000, 0.970917740000000, 0.748543120000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.885153790000000, 0.970917740000000, 0.748543120000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.114846210000000, 0.470917740000000, 0.751456880000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.614846210000000, 0.470917740000000, 0.751456880000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.213412350000000, 0.261974510000000, 0.594277050000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.713412350000000, 0.261974510000000, 0.594277050000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.286587650000000, 0.761974510000000, 0.905722950000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.786587650000000, 0.761974510000000, 0.905722950000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.286587650000000, 0.738025490000000, 0.405722950000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.786587650000000, 0.738025490000000, 0.405722950000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.213412350000000, 0.238025490000000, 0.094277050000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.713412350000000, 0.238025490000000, 0.094277050000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.100414545000000, 0.421815550000000, 0.933840810000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.600414545000000, 0.421815550000000, 0.933840810000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.399585455000000, 0.921815550000000, 0.566159190000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.899585455000000, 0.921815550000000, 0.566159190000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.399585455000000, 0.578184450000000, 0.066159190000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.899585455000000, 0.578184450000000, 0.066159190000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.100414545000000, 0.078184450000000, 0.433840810000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.600414545000000, 0.078184450000000, 0.433840810000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.479872835000000, 0.153411840000000, 0.943048210000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.979872835000000, 0.153411840000000, 0.943048210000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.020127165000000, 0.653411840000000, 0.556951790000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.520127165000000, 0.653411840000000, 0.556951790000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.020127165000000, 0.846588160000000, 0.056951790000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.520127165000000, 0.846588160000000, 0.056951790000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.479872835000000, 0.346588160000000, 0.443048210000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.979872835000000, 0.346588160000000, 0.443048210000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.207846215000000, 0.144154940000000, 0.920681520000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.707846215000000, 0.144154940000000, 0.920681520000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.292153785000000, 0.644154940000000, 0.579318480000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.792153785000000, 0.644154940000000, 0.579318480000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.292153785000000, 0.855845060000000, 0.079318480000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.792153785000000, 0.855845060000000, 0.079318480000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.207846215000000, 0.355845060000000, 0.420681520000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.707846215000000, 0.355845060000000, 0.420681520000000 ] mass: 15.999400 reduced_to: 55 - symbol: Si # 57 coordinates: [ 0.024469865000000, 0.005617010000000, 0.320125870000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 58 coordinates: [ 0.524469865000000, 0.005617010000000, 0.320125870000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 59 coordinates: [ 0.475530135000000, 0.505617010000000, 0.179874130000000 ] mass: 28.085500 reduced_to: 59 - symbol: Si # 60 coordinates: [ 0.975530135000000, 0.505617010000000, 0.179874130000000 ] mass: 28.085500 reduced_to: 59 - symbol: Si # 61 coordinates: [ 0.475530135000000, 0.994382990000000, 0.679874130000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 62 coordinates: [ 0.975530135000000, 0.994382990000000, 0.679874130000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 63 coordinates: [ 0.024469865000000, 0.494382990000000, 0.820125870000000 ] mass: 28.085500 reduced_to: 63 - symbol: Si # 64 coordinates: [ 0.524469865000000, 0.494382990000000, 0.820125870000000 ] mass: 28.085500 reduced_to: 63 - symbol: Si # 65 coordinates: [ 0.121791860000000, 0.254764160000000, 0.473364580000000 ] mass: 28.085500 reduced_to: 65 - symbol: Si # 66 coordinates: [ 0.621791860000000, 0.254764160000000, 0.473364580000000 ] mass: 28.085500 reduced_to: 65 - symbol: Si # 67 coordinates: [ 0.378208140000000, 0.754764160000000, 0.026635420000000 ] mass: 28.085500 reduced_to: 67 - symbol: Si # 68 coordinates: [ 0.878208140000000, 0.754764160000000, 0.026635420000000 ] mass: 28.085500 reduced_to: 67 - symbol: Si # 69 coordinates: [ 0.378208140000000, 0.745235840000000, 0.526635420000000 ] mass: 28.085500 reduced_to: 69 - symbol: Si # 70 coordinates: [ 0.878208140000000, 0.745235840000000, 0.526635420000000 ] mass: 28.085500 reduced_to: 69 - symbol: Si # 71 coordinates: [ 0.121791860000000, 0.245235840000000, 0.973364580000000 ] mass: 28.085500 reduced_to: 71 - symbol: Si # 72 coordinates: [ 0.621791860000000, 0.245235840000000, 0.973364580000000 ] mass: 28.085500 reduced_to: 71 - symbol: La # 73 coordinates: [ 0.084347035000000, 0.893121380000000, 0.910683050000000 ] mass: 138.905470 reduced_to: 73 - symbol: La # 74 coordinates: [ 0.584347035000000, 0.893121380000000, 0.910683050000000 ] mass: 138.905470 reduced_to: 73 - symbol: La # 75 coordinates: [ 0.415652965000000, 0.393121380000000, 0.589316950000000 ] mass: 138.905470 reduced_to: 75 - symbol: La # 76 coordinates: [ 0.915652965000000, 0.393121380000000, 0.589316950000000 ] mass: 138.905470 reduced_to: 75 - symbol: La # 77 coordinates: [ 0.415652965000000, 0.106878620000000, 0.089316950000000 ] mass: 138.905470 reduced_to: 77 - symbol: La # 78 coordinates: [ 0.915652965000000, 0.106878620000000, 0.089316950000000 ] mass: 138.905470 reduced_to: 77 - symbol: La # 79 coordinates: [ 0.084347035000000, 0.606878620000000, 0.410683050000000 ] mass: 138.905470 reduced_to: 79 - symbol: La # 80 coordinates: [ 0.584347035000000, 0.606878620000000, 0.410683050000000 ] mass: 138.905470 reduced_to: 79 - symbol: La # 81 coordinates: [ 0.241691980000000, 0.690270760000000, 0.731982570000000 ] mass: 138.905470 reduced_to: 81 - symbol: La # 82 coordinates: [ 0.741691980000000, 0.690270760000000, 0.731982570000000 ] mass: 138.905470 reduced_to: 81 - symbol: La # 83 coordinates: [ 0.258308020000000, 0.190270760000000, 0.768017430000000 ] mass: 138.905470 reduced_to: 83 - symbol: La # 84 coordinates: [ 0.758308020000000, 0.190270760000000, 0.768017430000000 ] mass: 138.905470 reduced_to: 83 - symbol: La # 85 coordinates: [ 0.258308020000000, 0.309729240000000, 0.268017430000000 ] mass: 138.905470 reduced_to: 85 - symbol: La # 86 coordinates: [ 0.758308020000000, 0.309729240000000, 0.268017430000000 ] mass: 138.905470 reduced_to: 85 - symbol: La # 87 coordinates: [ 0.241691980000000, 0.809729240000000, 0.231982570000000 ] mass: 138.905470 reduced_to: 87 - symbol: La # 88 coordinates: [ 0.741691980000000, 0.809729240000000, 0.231982570000000 ] mass: 138.905470 reduced_to: 87displacements:- atom: 1 displacement: [ 0.0099999278170813, 0.0000000000000000, -0.0000379954360843 ] forces: - [ -0.0834074400000000, -0.0551585100000000, -0.0132350000000000 ] - [ 0.0039040100000000, 0.0004917600000000, 0.0005753100000000 ] - [ 0.0009287000000000, 0.0011283100000000, 0.0004350100000000 ] - [ -0.0029863500000000, 0.0002723900000000, -0.0009383900000000 ] - [ 0.0000382900000000, -0.0005291800000000, 0.0003825400000000 ] - [ -0.0007126000000000, -0.0007362100000000, -0.0003044700000000 ] - [ 0.0003414000000000, -0.0004121500000000, 0.0000656900000000 ] - [ 0.0004976000000000, -0.0000426300000000, 0.0008295200000000 ] - [ -0.0052253500000000, -0.0182754700000000, 0.0074532700000000 ] - [ 0.0035136000000000, -0.0002506000000000, -0.0001743100000000 ] - [ 0.0043964200000000, 0.0052234700000000, -0.0003955700000000 ] - [ 0.0011188100000000, -0.0060307000000000, -0.0034494500000000 ] - [ 0.0004810100000000, -0.0003020900000000, 0.0008502300000000 ] - [ -0.0001730300000000, -0.0001435800000000, -0.0001611900000000 ] - [ -0.0002264400000000, -0.0000567300000000, -0.0002051300000000 ] - [ -0.0000864200000000, -0.0000738500000000, 0.0005537500000000 ] - [ 0.0055721800000000, -0.0033770500000000, -0.0008433800000000 ] - [ 0.0102506200000000, 0.0213669200000000, -0.0124552200000000 ] - [ -0.0049329900000000, 0.0038462500000000, 0.0000078700000000 ] - [ 0.0028829900000000, 0.0006467100000000, -0.0002297600000000 ] - [ -0.0003357500000000, -0.0004733700000000, -0.0003267500000000 ] - [ -0.0004878700000000, -0.0003492000000000, 0.0010074500000000 ] - [ 0.0006307000000000, -0.0001522300000000, 0.0004109000000000 ] - [ 0.0002544400000000, -0.0002733700000000, -0.0001064000000000 ] - [ 0.0004630000000000, 0.0002168700000000, -0.0002172000000000 ] - [ 0.0000513000000000, 0.0006252900000000, 0.0017297600000000 ] - [ -0.0009552900000000, 0.0006453100000000, 0.0004518700000000 ] - [ 0.0007589900000000, 0.0004264400000000, 0.0007243000000000 ] - [ 0.0099145500000000, 0.0050951900000000, -0.0087782700000000 ] - [ 0.0076190500000000, -0.0032616400000000, 0.0047681900000000 ] - [ -0.0004060400000000, -0.0003644700000000, 0.0014843200000000 ] - [ 0.0012136100000000, -0.0002493000000000, -0.0010154100000000 ] - [ -0.0000019200000000, -0.0001059800000000, 0.0007275500000000 ] - [ 0.0000387000000000, 0.0002610100000000, -0.0001373700000000 ] - [ -0.0004406900000000, -0.0007735900000000, -0.0021934800000000 ] - [ 0.0006015100000000, 0.0010391800000000, 0.0017552200000000 ] - [ -0.0013590500000000, 0.0005103000000000, -0.0008650200000000 ] - [ 0.0010304300000000, -0.0000126800000000, 0.0003282900000000 ] - [ 0.0010731600000000, -0.0005206700000000, -0.0004645200000000 ] - [ -0.0041086800000000, 0.0085801100000000, 0.0036800500000000 ] - [ -0.0000653300000000, -0.0002028000000000, -0.0001351800000000 ] - [ 0.0001381000000000, -0.0003718000000000, 0.0006748100000000 ] - [ 0.0025129800000000, -0.0009251500000000, 0.0011477600000000 ] - [ -0.0032485600000000, 0.0012995000000000, -0.0003769900000000 ] - [ 0.0029558800000000, -0.0005001900000000, 0.0042602300000000 ] - [ -0.0013854400000000, -0.0000449300000000, -0.0019373200000000 ] - [ -0.0029187000000000, -0.0006310800000000, -0.0000290900000000 ] - [ 0.0014982400000000, 0.0002723700000000, 0.0001476000000000 ] - [ -0.0006116000000000, -0.0002070900000000, 0.0002213400000000 ] - [ 0.0002849100000000, -0.0003189400000000, 0.0001372300000000 ] - [ 0.0006427800000000, 0.0008834300000000, -0.0025772600000000 ] - [ 0.0000317200000000, -0.0006971000000000, 0.0024634500000000 ] - [ -0.0039612100000000, -0.0005249200000000, 0.0044833100000000 ] - [ 0.0022438800000000, 0.0002613600000000, -0.0014872600000000 ] - [ 0.0005082100000000, 0.0005450400000000, -0.0009906800000000 ] - [ 0.0006594000000000, -0.0002284400000000, 0.0006717300000000 ] - [ -0.0053131800000000, -0.0004415900000000, 0.0013092700000000 ] - [ 0.0518051700000000, 0.0532612200000000, -0.0014736200000000 ] - [ 0.0065628800000000, 0.0009677000000000, 0.0013209700000000 ] - [ -0.0043653400000000, -0.0017446400000000, -0.0010084200000000 ] - [ 0.0004745500000000, 0.0013104000000000, 0.0012213500000000 ] - [ -0.0003866900000000, 0.0001739500000000, -0.0019394800000000 ] - [ -0.0001119900000000, 0.0003714900000000, -0.0008044800000000 ] - [ 0.0000998000000000, 0.0003906800000000, 0.0002259700000000 ] - [ -0.0023198200000000, 0.0007304500000000, 0.0003659200000000 ] - [ -0.0001723100000000, -0.0022222000000000, -0.0020438500000000 ] - [ 0.0045886500000000, -0.0011215200000000, 0.0001379800000000 ] - [ -0.0025229300000000, -0.0002262400000000, -0.0003992400000000 ] - [ 0.0027906800000000, -0.0015264700000000, 0.0088629600000000 ] - [ -0.0014215700000000, -0.0003946000000000, -0.0061055000000000 ] - [ -0.0006437200000000, -0.0001636900000000, -0.0013069900000000 ] - [ -0.0009447600000000, -0.0002868600000000, 0.0006628400000000 ] - [ -0.0000551500000000, 0.0000575600000000, -0.0025117300000000 ] - [ -0.0009003800000000, 0.0000733900000000, 0.0007661300000000 ] - [ 0.0017666500000000, -0.0008722000000000, 0.0000242900000000 ] - [ -0.0008631700000000, 0.0006111600000000, -0.0014749200000000 ] - [ 0.0066390600000000, -0.0000506500000000, 0.0023180200000000 ] - [ -0.0023613800000000, 0.0008953100000000, -0.0010309600000000 ] - [ -0.0065771600000000, -0.0009930400000000, 0.0014748300000000 ] - [ 0.0101217000000000, -0.0065438700000000, 0.0058269100000000 ] - [ -0.0006926800000000, -0.0000033400000000, 0.0001789300000000 ] - [ 0.0010357600000000, -0.0002672200000000, -0.0012383900000000 ] - [ -0.0004350300000000, 0.0001005300000000, -0.0003190600000000 ] - [ 0.0001628800000000, 0.0003028400000000, -0.0013301900000000 ] - [ -0.0001585700000000, 0.0017865200000000, 0.0006782000000000 ] - [ -0.0042845600000000, -0.0019650300000000, 0.0004824500000000 ] - [ 0.0105978400000000, -0.0015735300000000, 0.0021531300000000 ] - [ -0.0131296300000000, 0.0023040100000000, 0.0065782200000000 ]- atom: 1 displacement: [ -0.0099999278170813, 0.0000000000000000, 0.0000379954360843 ] forces: - [ 0.0857423300000000, 0.0559475400000000, 0.0142541700000000 ] - [ -0.0031956900000000, 0.0003770600000000, -0.0002166300000000 ] - [ -0.0016467300000000, -0.0002703400000000, -0.0007904800000000 ] - [ 0.0022577500000000, 0.0005917200000000, 0.0005869200000000 ] - [ -0.0007640800000000, -0.0003324900000000, -0.0007418200000000 ] - [ -0.0000068000000000, -0.0001267000000000, -0.0000560100000000 ] - [ 0.0003810700000000, -0.0004562800000000, 0.0002877200000000 ] - [ 0.0002219800000000, -0.0008289400000000, -0.0004802900000000 ] - [ 0.0050022600000000, 0.0184762600000000, -0.0075873500000000 ] - [ -0.0038939700000000, 0.0005622900000000, 0.0000039100000000 ] - [ -0.0040717000000000, -0.0049889600000000, 0.0005824400000000 ] - [ -0.0007689200000000, 0.0062956600000000, 0.0036201100000000 ] - [ -0.0001226600000000, 0.0000012400000000, -0.0006829300000000 ] - [ 0.0005361800000000, -0.0001594600000000, 0.0003285000000000 ] - [ -0.0001314600000000, -0.0002486300000000, 0.0000315100000000 ] - [ -0.0002764300000000, -0.0002323000000000, -0.0007311200000000 ] - [ -0.0046997600000000, 0.0040229700000000, 0.0006492000000000 ] - [ -0.0092883800000000, -0.0205537300000000, 0.0121274000000000 ] - [ 0.0040634700000000, -0.0032629400000000, 0.0002166500000000 ] - [ -0.0038079400000000, -0.0000617900000000, 0.0004339700000000 ] - [ -0.0005695700000000, -0.0001174100000000, 0.0005283500000000 ] - [ -0.0004240100000000, -0.0002418900000000, -0.0008083300000000 ] - [ 0.0002744500000000, -0.0004443400000000, -0.0006185700000000 ] - [ 0.0006544400000000, -0.0003205100000000, -0.0001029400000000 ] - [ -0.0001789500000000, 0.0003310900000000, 0.0005360700000000 ] - [ 0.0002260400000000, -0.0000895100000000, -0.0014423800000000 ] - [ 0.0006775500000000, -0.0001033500000000, -0.0007710500000000 ] - [ -0.0010492800000000, 0.0001157400000000, -0.0010577900000000 ] - [ -0.0103146700000000, -0.0057170300000000, 0.0085955900000000 ] - [ -0.0078373400000000, 0.0026638600000000, -0.0050194200000000 ] - [ 0.0006950000000000, -0.0001827700000000, -0.0011525900000000 ] - [ -0.0009384900000000, -0.0002942300000000, 0.0013323600000000 ] - [ 0.0000309300000000, 0.0003336800000000, -0.0005048400000000 ] - [ -0.0000113400000000, -0.0000306000000000, 0.0003580800000000 ] - [ 0.0004226000000000, 0.0010091200000000, 0.0019752700000000 ] - [ -0.0006365000000000, -0.0008081600000000, -0.0019794300000000 ] - [ 0.0013325900000000, -0.0007462000000000, 0.0006492700000000 ] - [ -0.0010663000000000, -0.0002208300000000, -0.0005562300000000 ] - [ -0.0010484900000000, 0.0003005200000000, 0.0006996900000000 ] - [ 0.0040677500000000, -0.0089340700000000, -0.0034985300000000 ] - [ 0.0001792000000000, -0.0001306400000000, 0.0003701900000000 ] - [ -0.0000145200000000, 0.0000447900000000, -0.0004456300000000 ] - [ -0.0026379600000000, 0.0005899200000000, -0.0013633500000000 ] - [ 0.0031660900000000, -0.0016311800000000, 0.0001266100000000 ] - [ -0.0031074500000000, 0.0008464500000000, -0.0045561200000000 ] - [ 0.0012674800000000, 0.0003786500000000, 0.0017089400000000 ] - [ 0.0030597000000000, 0.0009554800000000, 0.0002565400000000 ] - [ -0.0013877700000000, 0.0000567300000000, 0.0000901500000000 ] - [ 0.0005213400000000, -0.0000730400000000, -0.0000517900000000 ] - [ -0.0003779800000000, 0.0000368700000000, 0.0000230100000000 ] - [ -0.0005453500000000, -0.0011742500000000, 0.0024333300000000 ] - [ 0.0000428600000000, 0.0004079800000000, -0.0026399100000000 ] - [ 0.0041009700000000, 0.0008215900000000, -0.0046750600000000 ] - [ -0.0021643200000000, 0.0000241100000000, 0.0013175500000000 ] - [ -0.0005911200000000, -0.0002693100000000, 0.0011598500000000 ] - [ -0.0007857900000000, 0.0005201800000000, -0.0005014100000000 ] - [ 0.0053246400000000, -0.0006600600000000, -0.0011780000000000 ] - [ -0.0524258100000000, -0.0540857000000000, 0.0015853600000000 ] - [ -0.0065415300000000, -0.0020729100000000, -0.0014860900000000 ] - [ 0.0044139500000000, 0.0006696500000000, 0.0008717900000000 ] - [ -0.0004607100000000, -0.0002202100000000, -0.0013659300000000 ] - [ 0.0004099400000000, 0.0009167400000000, 0.0017995900000000 ] - [ 0.0000958300000000, 0.0007307300000000, 0.0009582700000000 ] - [ -0.0001219500000000, 0.0007102500000000, -0.0000716900000000 ] - [ 0.0006283700000000, -0.0001842500000000, -0.0008705600000000 ] - [ -0.0015290200000000, 0.0028500300000000, 0.0015885600000000 ] - [ -0.0029134800000000, 0.0016908200000000, 0.0003564100000000 ] - [ 0.0042403600000000, 0.0007953700000000, 0.0009120600000000 ] - [ -0.0011607400000000, 0.0009674300000000, -0.0084196500000000 ] - [ 0.0031398000000000, -0.0001657000000000, 0.0065804100000000 ] - [ -0.0010508100000000, -0.0003945900000000, 0.0008004200000000 ] - [ -0.0007405700000000, -0.0002696500000000, -0.0011581300000000 ] - [ -0.0008160500000000, -0.0002774200000000, 0.0027141300000000 ] - [ 0.0000447600000000, -0.0002931500000000, -0.0005836300000000 ] - [ -0.0009305800000000, 0.0006566300000000, -0.0001948200000000 ] - [ 0.0017480700000000, -0.0008203000000000, 0.0013077900000000 ] - [ -0.0057647800000000, 0.0002686500000000, -0.0025361200000000 ] - [ 0.0032347600000000, -0.0006965900000000, 0.0008672700000000 ] - [ 0.0057383300000000, 0.0012314300000000, -0.0013158700000000 ] - [ -0.0110706300000000, 0.0067294500000000, -0.0056723900000000 ] - [ 0.0010028600000000, 0.0000692900000000, 0.0002647000000000 ] - [ -0.0007279000000000, 0.0003363800000000, 0.0017106000000000 ] - [ 0.0001261700000000, -0.0000385200000000, -0.0001284700000000 ] - [ -0.0004696400000000, -0.0002464500000000, 0.0009029800000000 ] - [ -0.0002070700000000, -0.0018064000000000, -0.0011390400000000 ] - [ 0.0040094900000000, 0.0018989200000000, -0.0009514300000000 ] - [ -0.0112062700000000, 0.0014180400000000, -0.0022941200000000 ] - [ 0.0134179300000000, -0.0023675400000000, -0.0061057600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0578611900000000, -0.3717623800000000, 0.0455173700000000 ] - [ 0.0004235600000000, -0.0007669100000000, 0.0011592200000000 ] - [ -0.0010602800000000, 0.0011615000000000, -0.0002797100000000 ] - [ -0.0001874300000000, 0.0069029900000000, 0.0008739600000000 ] - [ -0.0004544800000000, -0.0001871200000000, -0.0005303000000000 ] - [ -0.0006656300000000, -0.0001240100000000, -0.0003052300000000 ] - [ 0.0003329800000000, -0.0006747800000000, -0.0002678000000000 ] - [ -0.0000353400000000, -0.0005646800000000, -0.0005134800000000 ] - [ -0.0143963900000000, 0.0399014400000000, -0.0183486700000000 ] - [ 0.0009137800000000, 0.0001918800000000, 0.0002358500000000 ] - [ 0.0003843600000000, 0.0008762100000000, 0.0006415900000000 ] - [ -0.0063789000000000, 0.0049002900000000, 0.0066842800000000 ] - [ 0.0001987000000000, -0.0003520400000000, -0.0002800000000000 ] - [ 0.0003768100000000, -0.0006970800000000, -0.0002587400000000 ] - [ -0.0000119100000000, 0.0001103000000000, -0.0004711400000000 ] - [ -0.0001311300000000, 0.0003523100000000, -0.0004781300000000 ] - [ -0.0007906900000000, -0.0013173000000000, -0.0001736300000000 ] - [ 0.0180158700000000, 0.0119062500000000, -0.0105576400000000 ] - [ 0.0043861400000000, 0.0136082900000000, 0.0081832000000000 ] - [ -0.0005649800000000, 0.0009510800000000, 0.0005203200000000 ] - [ -0.0003603900000000, -0.0004722500000000, -0.0002318700000000 ] - [ -0.0004067100000000, -0.0005980600000000, -0.0002105000000000 ] - [ 0.0004383700000000, -0.0001105300000000, -0.0005736400000000 ] - [ 0.0006946400000000, 0.0001905700000000, -0.0007275100000000 ] - [ 0.0003015800000000, 0.0005148900000000, 0.0002010400000000 ] - [ 0.0007984400000000, 0.0032451100000000, 0.0019903400000000 ] - [ -0.0000515300000000, -0.0002646400000000, -0.0008381800000000 ] - [ 0.0000564900000000, 0.0000099400000000, -0.0008751500000000 ] - [ 0.0055965800000000, -0.0018430800000000, -0.0010941300000000 ] - [ -0.0059812100000000, -0.0044647900000000, 0.0003198600000000 ] - [ -0.0011681600000000, 0.0012908100000000, -0.0023125000000000 ] - [ 0.0006143400000000, 0.0003896600000000, -0.0002714500000000 ] - [ -0.0001004600000000, 0.0009459200000000, -0.0008132400000000 ] - [ 0.0000664300000000, 0.0006912200000000, -0.0004330200000000 ] - [ -0.0000498000000000, -0.0017437600000000, -0.0003090200000000 ] - [ -0.0000355300000000, -0.0016102400000000, -0.0006160700000000 ] - [ -0.0001145300000000, -0.0009311000000000, 0.0020979600000000 ] - [ -0.0000004400000000, -0.0000361700000000, -0.0000292800000000 ] - [ -0.0000568600000000, 0.0000662000000000, 0.0006724100000000 ] - [ 0.0066546700000000, 0.0276121900000000, 0.0149737000000000 ] - [ 0.0011287800000000, 0.0001921100000000, -0.0012460300000000 ] - [ -0.0003459200000000, -0.0003493100000000, -0.0005506400000000 ] - [ -0.0012440600000000, 0.0000585000000000, -0.0006254400000000 ] - [ 0.0046005200000000, -0.0011207900000000, -0.0051056200000000 ] - [ 0.0001033900000000, -0.0001752400000000, 0.0001660800000000 ] - [ 0.0001238000000000, -0.0016755600000000, -0.0010066200000000 ] - [ 0.0011914100000000, 0.0090969700000000, 0.0004045900000000 ] - [ -0.0002620000000000, 0.0006988700000000, 0.0004278200000000 ] - [ -0.0004427100000000, -0.0001727600000000, -0.0014747100000000 ] - [ 0.0001918800000000, -0.0001962600000000, -0.0003630900000000 ] - [ 0.0014009600000000, 0.0001749900000000, -0.0008642900000000 ] - [ -0.0031999900000000, -0.0013866800000000, -0.0043563300000000 ] - [ -0.0004264600000000, -0.0025290100000000, -0.0007811700000000 ] - [ 0.0002473400000000, -0.0001985200000000, -0.0003819700000000 ] - [ -0.0005249400000000, 0.0008267800000000, 0.0011632400000000 ] - [ -0.0024490900000000, 0.0124153800000000, 0.0005795100000000 ] - [ 0.0000193600000000, 0.0008297000000000, -0.0013835600000000 ] - [ 0.0541047200000000, 0.2380317100000000, -0.0147137300000000 ] - [ 0.0024900100000000, -0.0072381500000000, -0.0071843100000000 ] - [ 0.0001329200000000, -0.0017255500000000, -0.0006263900000000 ] - [ -0.0000265000000000, 0.0009929700000000, 0.0000934700000000 ] - [ -0.0001158600000000, 0.0009258600000000, 0.0003623800000000 ] - [ 0.0000847900000000, 0.0001326000000000, 0.0010274200000000 ] - [ -0.0003539500000000, 0.0003874300000000, 0.0008962900000000 ] - [ -0.0004257700000000, -0.0002328300000000, -0.0006363700000000 ] - [ -0.0012380900000000, -0.0177985700000000, -0.0037614300000000 ] - [ 0.0007187400000000, 0.0031792300000000, -0.0000800800000000 ] - [ 0.0006753100000000, 0.0005178700000000, 0.0007295600000000 ] - [ -0.0023805300000000, 0.0032166300000000, 0.0018151700000000 ] - [ 0.0032673000000000, 0.0024215200000000, 0.0018299600000000 ] - [ -0.0001972900000000, -0.0008613400000000, 0.0018029700000000 ] - [ -0.0013634100000000, -0.0010805000000000, 0.0004756700000000 ] - [ 0.0000281400000000, 0.0007413700000000, 0.0011543200000000 ] - [ -0.0009046000000000, 0.0005858900000000, 0.0011594200000000 ] - [ -0.0005675800000000, -0.0025270700000000, 0.0006262600000000 ] - [ 0.0010952100000000, -0.0024619500000000, 0.0011311800000000 ] - [ -0.0014972000000000, -0.0022332900000000, 0.0103283500000000 ] - [ 0.0005708900000000, 0.0004662600000000, 0.0005721900000000 ] - [ -0.0009562200000000, -0.0008687300000000, -0.0009747600000000 ] - [ -0.0080724500000000, 0.0358023300000000, -0.0218073800000000 ] - [ 0.0000809400000000, 0.0003756300000000, 0.0014699700000000 ] - [ 0.0000992200000000, 0.0007700700000000, 0.0032793700000000 ] - [ -0.0002140900000000, -0.0002611300000000, 0.0008597500000000 ] - [ -0.0000072000000000, -0.0001415200000000, -0.0002575200000000 ] - [ 0.0037243800000000, -0.0127335700000000, -0.0018085200000000 ] - [ -0.0012264900000000, -0.0068674500000000, -0.0019379900000000 ] - [ 0.0039562600000000, 0.0146796200000000, -0.0006485600000000 ] - [ -0.0009836500000000, 0.0100173900000000, -0.0020495100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0530176800000000, 0.3580119100000000, -0.0449986800000000 ] - [ 0.0003120500000000, 0.0016420000000000, -0.0008098100000000 ] - [ 0.0003282500000000, -0.0002806200000000, -0.0000795200000000 ] - [ -0.0005254200000000, -0.0060510000000000, -0.0012388300000000 ] - [ -0.0002651000000000, -0.0006914800000000, 0.0001811300000000 ] - [ -0.0000647700000000, -0.0007574800000000, -0.0000478500000000 ] - [ 0.0003907700000000, -0.0001926800000000, 0.0006295700000000 ] - [ 0.0007652300000000, -0.0003004700000000, 0.0008828200000000 ] - [ 0.0138163200000000, -0.0390881300000000, 0.0178805300000000 ] - [ -0.0012594700000000, 0.0000978300000000, -0.0004031400000000 ] - [ -0.0000063700000000, -0.0005164300000000, -0.0004884800000000 ] - [ 0.0067925800000000, -0.0045911600000000, -0.0065975700000000 ] - [ 0.0001587600000000, 0.0000505700000000, 0.0004525400000000 ] - [ -0.0000260600000000, 0.0003987500000000, 0.0004279500000000 ] - [ -0.0003471900000000, -0.0004085100000000, 0.0003101400000000 ] - [ -0.0002221800000000, -0.0006506800000000, 0.0003227100000000 ] - [ 0.0017185500000000, 0.0018715500000000, -0.0000273300000000 ] - [ -0.0170279000000000, -0.0113544100000000, 0.0103089400000000 ] - [ -0.0053561800000000, -0.0131664500000000, -0.0081346600000000 ] - [ -0.0003189600000000, -0.0003500200000000, -0.0003283000000000 ] - [ -0.0005400400000000, -0.0001261500000000, 0.0004273100000000 ] - [ -0.0004898800000000, -0.0000000800000000, 0.0004156700000000 ] - [ 0.0004676800000000, -0.0004816200000000, 0.0003848300000000 ] - [ 0.0002016800000000, -0.0007855600000000, 0.0005407200000000 ] - [ -0.0000231500000000, 0.0000235200000000, 0.0001118800000000 ] - [ -0.0005146800000000, -0.0027055000000000, -0.0016467000000000 ] - [ -0.0002337700000000, 0.0008151000000000, 0.0005496600000000 ] - [ -0.0003315500000000, 0.0005375200000000, 0.0005835600000000 ] - [ -0.0058378800000000, 0.0013789100000000, 0.0007185900000000 ] - [ 0.0057343400000000, 0.0039868600000000, -0.0006753400000000 ] - [ 0.0014464400000000, -0.0018394300000000, 0.0026085100000000 ] - [ -0.0003304300000000, -0.0009365300000000, 0.0005815600000000 ] - [ 0.0001264400000000, -0.0007316900000000, 0.0010281700000000 ] - [ -0.0000413800000000, -0.0004749400000000, 0.0006481100000000 ] - [ 0.0000203300000000, 0.0019611300000000, 0.0000818600000000 ] - [ 0.0000161900000000, 0.0018343500000000, 0.0004109000000000 ] - [ 0.0000862000000000, 0.0007369200000000, -0.0023232000000000 ] - [ -0.0000187600000000, -0.0001761500000000, -0.0001770100000000 ] - [ 0.0000855700000000, -0.0002936400000000, -0.0004747200000000 ] - [ -0.0065330600000000, -0.0276512700000000, -0.0146228300000000 ] - [ -0.0010063800000000, -0.0005199100000000, 0.0014829500000000 ] - [ 0.0004690200000000, 0.0000190100000000, 0.0007898200000000 ] - [ 0.0011377700000000, -0.0003819900000000, 0.0003805600000000 ] - [ -0.0047949100000000, 0.0008384400000000, 0.0049054000000000 ] - [ -0.0002020400000000, 0.0004912900000000, -0.0003602700000000 ] - [ -0.0002648700000000, 0.0019990200000000, 0.0007874700000000 ] - [ -0.0011030800000000, -0.0088123700000000, -0.0001658000000000 ] - [ 0.0003969200000000, -0.0003738100000000, -0.0001984600000000 ] - [ 0.0003447000000000, -0.0001097000000000, 0.0016481000000000 ] - [ -0.0002900100000000, -0.0000829100000000, 0.0005408900000000 ] - [ -0.0013132000000000, -0.0004423400000000, 0.0006744100000000 ] - [ 0.0033430900000000, 0.0011441900000000, 0.0042387200000000 ] - [ 0.0005127100000000, 0.0027922600000000, 0.0006913700000000 ] - [ -0.0001459600000000, 0.0004741600000000, 0.0002162600000000 ] - [ 0.0004164000000000, -0.0005461800000000, -0.0009915100000000 ] - [ 0.0024035200000000, -0.0122124900000000, -0.0004320100000000 ] - [ -0.0000649200000000, -0.0019168600000000, 0.0015596000000000 ] - [ -0.0491487300000000, -0.2234464200000000, 0.0138802700000000 ] - [ -0.0024957400000000, 0.0061215900000000, 0.0070696300000000 ] - [ -0.0001365200000000, 0.0006130700000000, 0.0004603500000000 ] - [ 0.0000508200000000, 0.0001061900000000, -0.0002416000000000 ] - [ 0.0001293000000000, 0.0001666800000000, -0.0005278800000000 ] - [ -0.0001099100000000, 0.0009592800000000, -0.0008828100000000 ] - [ 0.0003414100000000, 0.0007044700000000, -0.0007508900000000 ] - [ -0.0012685200000000, 0.0007960400000000, 0.0001447700000000 ] - [ -0.0004480500000000, 0.0183864200000000, 0.0032551000000000 ] - [ 0.0010008200000000, -0.0026717500000000, 0.0005440700000000 ] - [ 0.0009910000000000, 0.0000156700000000, -0.0002451300000000 ] - [ 0.0040995300000000, -0.0038030600000000, -0.0012355700000000 ] - [ -0.0016109200000000, -0.0029883100000000, -0.0013136100000000 ] - [ -0.0014929400000000, 0.0003189200000000, -0.0022990200000000 ] - [ -0.0003261600000000, 0.0005348200000000, -0.0009740400000000 ] - [ -0.0008960900000000, -0.0009601600000000, -0.0010115700000000 ] - [ 0.0000485500000000, -0.0008042900000000, -0.0009939000000000 ] - [ 0.0014595100000000, 0.0023083800000000, -0.0008292600000000 ] - [ -0.0002711900000000, 0.0022527700000000, -0.0013390200000000 ] - [ 0.0023471700000000, 0.0025082900000000, -0.0105063200000000 ] - [ 0.0002790000000000, -0.0002272600000000, -0.0007636800000000 ] - [ 0.0000688700000000, 0.0010725300000000, 0.0011780000000000 ] - [ 0.0077594100000000, -0.0371890500000000, 0.0231810300000000 ] - [ 0.0002266800000000, -0.0003065300000000, -0.0010335600000000 ] - [ 0.0002151500000000, -0.0007143800000000, -0.0028658500000000 ] - [ -0.0000935200000000, 0.0003283900000000, -0.0013206800000000 ] - [ -0.0002924300000000, 0.0002169200000000, -0.0002143300000000 ] - [ -0.0039678400000000, 0.0126699200000000, 0.0013726400000000 ] - [ 0.0009016000000000, 0.0068201100000000, 0.0015142900000000 ] - [ -0.0037366100000000, -0.0147832000000000, 0.0010725600000000 ] - [ 0.0013667000000000, -0.0101107000000000, 0.0024948100000000 ]- atom: 1 displacement: [ -0.0038283560719029, 0.0000000000000000, 0.0092381648495101 ] forces: - [ 0.0199346700000000, 0.0638960600000000, -0.0505288300000000 ] - [ -0.0006354900000000, 0.0013346400000000, -0.0014050400000000 ] - [ -0.0002860200000000, 0.0002708400000000, -0.0001524700000000 ] - [ -0.0000691200000000, -0.0004727500000000, -0.0003172000000000 ] - [ 0.0000057600000000, -0.0007350200000000, 0.0004151000000000 ] - [ -0.0003377700000000, -0.0004462600000000, 0.0006982000000000 ] - [ 0.0002708000000000, -0.0000398600000000, 0.0010392600000000 ] - [ 0.0009186200000000, 0.0000474400000000, 0.0011362200000000 ] - [ 0.0072997800000000, -0.0109225000000000, -0.0061636600000000 ] - [ -0.0016543300000000, 0.0001987800000000, -0.0006406300000000 ] - [ 0.0006805600000000, 0.0007000700000000, -0.0009222400000000 ] - [ -0.0015635300000000, 0.0054188800000000, -0.0018338100000000 ] - [ 0.0002721400000000, -0.0002230400000000, 0.0009077000000000 ] - [ 0.0000903400000000, -0.0000365900000000, 0.0014399500000000 ] - [ -0.0004358800000000, -0.0001804500000000, 0.0006914800000000 ] - [ 0.0001661500000000, -0.0000836600000000, 0.0007118700000000 ] - [ 0.0010131300000000, -0.0000801000000000, -0.0009933100000000 ] - [ -0.0127612500000000, -0.0180206500000000, 0.0021721400000000 ] - [ 0.0003121900000000, 0.0023787600000000, -0.0034268200000000 ] - [ -0.0012924400000000, 0.0000192500000000, -0.0006242900000000 ] - [ -0.0009669400000000, -0.0002165900000000, 0.0013400600000000 ] - [ -0.0000823500000000, -0.0003943800000000, 0.0010403900000000 ] - [ 0.0005279100000000, -0.0002229000000000, 0.0005891700000000 ] - [ 0.0001061800000000, -0.0004344300000000, 0.0009559300000000 ] - [ -0.0003118000000000, 0.0000740200000000, 0.0001526500000000 ] - [ 0.0003815600000000, 0.0006474400000000, 0.0018214500000000 ] - [ -0.0002099300000000, 0.0007272300000000, 0.0021396900000000 ] - [ -0.0002220200000000, 0.0005884300000000, 0.0011915000000000 ] - [ -0.0095283200000000, -0.0030684800000000, -0.0010221300000000 ] - [ 0.0024675800000000, 0.0012737300000000, -0.0036001400000000 ] - [ 0.0008424200000000, -0.0006594400000000, 0.0006950600000000 ] - [ -0.0003976900000000, -0.0005335600000000, 0.0009489700000000 ] - [ 0.0002281300000000, -0.0003246300000000, 0.0009647800000000 ] - [ -0.0001095900000000, -0.0003543200000000, 0.0010448100000000 ] - [ -0.0009031300000000, 0.0010980900000000, 0.0019469300000000 ] - [ 0.0005330800000000, 0.0004732600000000, 0.0003864600000000 ] - [ 0.0000411500000000, 0.0005183000000000, 0.0001670300000000 ] - [ -0.0000411800000000, -0.0000633600000000, 0.0000539000000000 ] - [ -0.0002485600000000, -0.0004136100000000, -0.0009246900000000 ] - [ 0.0048600700000000, 0.0134520300000000, 0.0005091300000000 ] - [ -0.0004728800000000, -0.0003794900000000, 0.0012758200000000 ] - [ 0.0003710400000000, -0.0002526500000000, 0.0008456300000000 ] - [ 0.0004086500000000, -0.0001530600000000, -0.0001690200000000 ] - [ -0.0022780600000000, -0.0019794400000000, 0.0033548000000000 ] - [ 0.0002761000000000, 0.0002414700000000, 0.0004333000000000 ] - [ -0.0011822500000000, 0.0003199200000000, 0.0021472200000000 ] - [ -0.0017720600000000, -0.0008805100000000, -0.0002827000000000 ] - [ 0.0002028600000000, -0.0001934200000000, -0.0006276700000000 ] - [ 0.0001831100000000, -0.0004245900000000, 0.0013457000000000 ] - [ -0.0004639700000000, -0.0001529700000000, 0.0010686900000000 ] - [ -0.0016090600000000, -0.0007574100000000, 0.0010479500000000 ] - [ 0.0018485900000000, 0.0000147200000000, 0.0013979300000000 ] - [ 0.0018805600000000, 0.0000221500000000, 0.0047253100000000 ] - [ -0.0005210500000000, 0.0001735000000000, 0.0008462100000000 ] - [ -0.0001203800000000, -0.0002944000000000, -0.0009912500000000 ] - [ 0.0036036400000000, -0.0027950100000000, -0.0011135000000000 ] - [ 0.0005726000000000, -0.0012812900000000, 0.0023198500000000 ] - [ -0.0212626200000000, -0.0323098000000000, 0.0361403900000000 ] - [ -0.0015222300000000, -0.0025368900000000, 0.0002548000000000 ] - [ 0.0000532000000000, -0.0003213800000000, -0.0001088200000000 ] - [ 0.0004504500000000, -0.0001819000000000, -0.0028502000000000 ] - [ -0.0004308100000000, 0.0005191800000000, -0.0013086700000000 ] - [ -0.0003695300000000, 0.0004762200000000, -0.0013301300000000 ] - [ 0.0004755400000000, 0.0004582900000000, -0.0014858200000000 ] - [ -0.0007176300000000, 0.0006195100000000, 0.0003354200000000 ] - [ -0.0001206300000000, -0.0022420200000000, -0.0019628300000000 ] - [ 0.0017699900000000, -0.0014200100000000, -0.0037879400000000 ] - [ 0.0007807800000000, -0.0001902100000000, -0.0008571200000000 ] - [ 0.0059064800000000, 0.0006760600000000, -0.0038286700000000 ] - [ -0.0011592300000000, -0.0006501100000000, 0.0007561800000000 ] - [ -0.0013761600000000, 0.0001049400000000, -0.0013739400000000 ] - [ -0.0003450100000000, 0.0000811700000000, -0.0015375300000000 ] - [ -0.0016146800000000, -0.0002079100000000, -0.0026267100000000 ] - [ 0.0005144000000000, -0.0002590200000000, -0.0025437500000000 ] - [ 0.0021068800000000, 0.0012584700000000, -0.0013533200000000 ] - [ -0.0010915600000000, 0.0003451400000000, -0.0012058600000000 ] - [ -0.0007145600000000, 0.0035832500000000, -0.0051585600000000 ] - [ 0.0006235600000000, 0.0002531100000000, -0.0008045900000000 ] - [ 0.0014700100000000, 0.0009142800000000, 0.0024117800000000 ] - [ 0.0004123400000000, -0.0136423500000000, 0.0158998600000000 ] - [ 0.0006873900000000, -0.0003057200000000, -0.0019246200000000 ] - [ -0.0004690300000000, -0.0001761700000000, -0.0030641600000000 ] - [ 0.0000996200000000, 0.0002183900000000, -0.0018244200000000 ] - [ -0.0003861000000000, 0.0002995000000000, -0.0023700000000000 ] - [ -0.0011119300000000, 0.0017654100000000, 0.0022791500000000 ] - [ 0.0014662900000000, 0.0026483500000000, 0.0030751500000000 ] - [ -0.0033851700000000, -0.0026207000000000, 0.0105783900000000 ] - [ 0.0094376000000000, -0.0035753000000000, 0.0013476900000000 ]- atom: 1 displacement: [ 0.0038283560719029, 0.0000000000000000, -0.0092381648495101 ] forces: - [ -0.0190385900000000, -0.0620952200000000, 0.0504578400000000 ] - [ 0.0013670600000000, -0.0004498400000000, 0.0017614900000000 ] - [ -0.0004349800000000, 0.0006082600000000, -0.0002011900000000 ] - [ -0.0006698600000000, 0.0013407900000000, -0.0000384000000000 ] - [ -0.0007343400000000, -0.0001438600000000, -0.0007729300000000 ] - [ -0.0003890500000000, -0.0004319700000000, -0.0010561400000000 ] - [ 0.0004570100000000, -0.0008397200000000, -0.0006808800000000 ] - [ -0.0001906200000000, -0.0009275600000000, -0.0007774200000000 ] - [ -0.0076603100000000, 0.0111053200000000, 0.0061043700000000 ] - [ 0.0013086300000000, 0.0000966800000000, 0.0004767400000000 ] - [ -0.0003190300000000, -0.0003976900000000, 0.0010807800000000 ] - [ 0.0019376400000000, -0.0051758700000000, 0.0019959100000000 ] - [ 0.0000771800000000, -0.0000716200000000, -0.0007457200000000 ] - [ 0.0002642200000000, -0.0002583200000000, -0.0012726800000000 ] - [ 0.0000829500000000, -0.0001177800000000, -0.0008546200000000 ] - [ -0.0005178600000000, -0.0002141300000000, -0.0008750300000000 ] - [ -0.0001011400000000, 0.0006737600000000, 0.0007977600000000 ] - [ 0.0137953000000000, 0.0188069500000000, -0.0023354100000000 ] - [ -0.0012238600000000, -0.0017834900000000, 0.0036279400000000 ] - [ 0.0004014200000000, 0.0005763400000000, 0.0008154800000000 ] - [ 0.0000681600000000, -0.0003764700000000, -0.0011447300000000 ] - [ -0.0008166700000000, -0.0001998000000000, -0.0008472800000000 ] - [ 0.0003679600000000, -0.0003738300000000, -0.0007814400000000 ] - [ 0.0007916500000000, -0.0001639800000000, -0.0011471200000000 ] - [ 0.0005900200000000, 0.0004676400000000, 0.0001492700000000 ] - [ -0.0001059100000000, -0.0001139700000000, -0.0015302100000000 ] - [ -0.0000694600000000, -0.0001875100000000, -0.0024462100000000 ] - [ -0.0000537900000000, -0.0000466200000000, -0.0014903800000000 ] - [ 0.0091658400000000, 0.0024995900000000, 0.0007002500000000 ] - [ -0.0027586500000000, -0.0018037700000000, 0.0032886400000000 ] - [ -0.0005609100000000, 0.0001161300000000, -0.0003763700000000 ] - [ 0.0006779600000000, -0.0000085600000000, -0.0006445500000000 ] - [ -0.0002010300000000, 0.0005405300000000, -0.0007434300000000 ] - [ 0.0001366400000000, 0.0005735900000000, -0.0008263600000000 ] - [ 0.0008698700000000, -0.0008735100000000, -0.0021552800000000 ] - [ -0.0005601600000000, -0.0002519100000000, -0.0006048600000000 ] - [ -0.0000694400000000, -0.0007462700000000, -0.0003831400000000 ] - [ 0.0000168500000000, -0.0001579100000000, -0.0002687800000000 ] - [ 0.0002769400000000, 0.0001927200000000, 0.0011385800000000 ] - [ -0.0048023800000000, -0.0136900600000000, -0.0003204600000000 ] - [ 0.0005982400000000, 0.0000579300000000, -0.0010364800000000 ] - [ -0.0002385800000000, -0.0000667200000000, -0.0006059800000000 ] - [ -0.0005397900000000, -0.0001679000000000, -0.0000686400000000 ] - [ 0.0021324500000000, 0.0016253000000000, -0.0035624500000000 ] - [ -0.0003994000000000, 0.0000785100000000, -0.0006553100000000 ] - [ 0.0010571100000000, 0.0000079700000000, -0.0023938500000000 ] - [ 0.0019056100000000, 0.0011904700000000, 0.0005116600000000 ] - [ -0.0000722900000000, 0.0005135800000000, 0.0008627000000000 ] - [ -0.0002874500000000, 0.0001550000000000, -0.0011658300000000 ] - [ 0.0003628400000000, -0.0001189300000000, -0.0008933100000000 ] - [ 0.0017067300000000, 0.0004839900000000, -0.0012221800000000 ] - [ -0.0017377900000000, -0.0002893500000000, -0.0015691400000000 ] - [ -0.0018129700000000, 0.0002606300000000, -0.0049446900000000 ] - [ 0.0006305100000000, 0.0000995900000000, -0.0010220900000000 ] - [ 0.0000222000000000, 0.0005636100000000, 0.0011572600000000 ] - [ -0.0037081800000000, 0.0030449700000000, 0.0012939800000000 ] - [ -0.0006056300000000, 0.0001792300000000, -0.0021591300000000 ] - [ 0.0208921200000000, 0.0303983000000000, -0.0355715600000000 ] - [ 0.0015586900000000, 0.0014688500000000, -0.0004099700000000 ] - [ -0.0000404500000000, -0.0007749700000000, -0.0000474800000000 ] - [ -0.0004283700000000, 0.0012677500000000, 0.0026884300000000 ] - [ 0.0004500000000000, 0.0005740300000000, 0.0011601300000000 ] - [ 0.0003475500000000, 0.0006271300000000, 0.0014808300000000 ] - [ -0.0004963800000000, 0.0006409200000000, 0.0016379500000000 ] - [ -0.0009749400000000, -0.0000681100000000, -0.0008247400000000 ] - [ -0.0015644700000000, 0.0028470800000000, 0.0014840700000000 ] - [ -0.0000840800000000, 0.0019799500000000, 0.0043093000000000 ] - [ 0.0008991900000000, 0.0007386200000000, 0.0013476100000000 ] - [ -0.0041670200000000, -0.0012145900000000, 0.0043130800000000 ] - [ 0.0028433100000000, 0.0000967100000000, -0.0002445000000000 ] - [ -0.0003142100000000, -0.0006552200000000, 0.0008666600000000 ] - [ -0.0013411600000000, -0.0006314900000000, 0.0010417000000000 ] - [ 0.0007622200000000, -0.0000184700000000, 0.0028085700000000 ] - [ -0.0013767200000000, 0.0000350700000000, 0.0027234200000000 ] - [ -0.0012467800000000, -0.0014698300000000, 0.0011786000000000 ] - [ 0.0019551200000000, -0.0005590400000000, 0.0010286800000000 ] - [ 0.0015923100000000, -0.0033885000000000, 0.0049590100000000 ] - [ 0.0002265500000000, -0.0000307900000000, 0.0006185800000000 ] - [ -0.0023247800000000, -0.0006837500000000, -0.0022243100000000 ] - [ -0.0011916300000000, 0.0137632900000000, -0.0158443400000000 ] - [ -0.0003734500000000, 0.0003770600000000, 0.0023748800000000 ] - [ 0.0007728000000000, 0.0002473700000000, 0.0035051000000000 ] - [ -0.0004056000000000, -0.0001537600000000, 0.0013697800000000 ] - [ 0.0000773600000000, -0.0002387600000000, 0.0019231200000000 ] - [ 0.0007824000000000, -0.0017925900000000, -0.0027258500000000 ] - [ -0.0017705200000000, -0.0027139800000000, -0.0035284900000000 ] - [ 0.0037285000000000, 0.0025161200000000, -0.0100907600000000 ] - [ -0.0091764300000000, 0.0035006700000000, -0.0009080200000000 ]- atom: 9 displacement: [ 0.0099999278170813, 0.0000000000000000, -0.0000379954360843 ] forces: - [ -0.0048339500000000, -0.0135135400000000, 0.0061550100000000 ] - [ 0.0040628100000000, 0.0015154400000000, 0.0001151600000000 ] - [ 0.0038819400000000, 0.0002475100000000, 0.0021268500000000 ] - [ 0.0005782500000000, 0.0070475600000000, -0.0016736600000000 ] - [ -0.0000622100000000, -0.0004171600000000, 0.0000512900000000 ] - [ -0.0007156800000000, -0.0002356600000000, -0.0004241600000000 ] - [ 0.0003115900000000, -0.0006095600000000, -0.0001294600000000 ] - [ 0.0004541300000000, -0.0004880300000000, 0.0005809300000000 ] - [ -0.2274479500000000, 0.1102888000000000, -0.0983297800000000 ] - [ 0.0061120100000000, -0.0004924700000000, -0.0002202100000000 ] - [ 0.0050245200000000, -0.0010285200000000, 0.0004035900000000 ] - [ -0.0010812500000000, -0.0002122000000000, 0.0002746300000000 ] - [ 0.0002841100000000, -0.0001992900000000, 0.0003930700000000 ] - [ 0.0000819000000000, -0.0001582900000000, -0.0000908400000000 ] - [ -0.0002605500000000, -0.0001399600000000, -0.0005160200000000 ] - [ 0.0000919700000000, -0.0000335400000000, 0.0005442100000000 ] - [ 0.0157462800000000, 0.0032680700000000, 0.0003350000000000 ] - [ 0.0370114800000000, -0.0128267600000000, -0.0013423700000000 ] - [ -0.0068336600000000, -0.0024211200000000, 0.0005795000000000 ] - [ 0.0030589800000000, 0.0001918500000000, -0.0003397300000000 ] - [ -0.0004733800000000, -0.0003547700000000, -0.0003684700000000 ] - [ -0.0004113500000000, -0.0003012000000000, 0.0006532400000000 ] - [ 0.0004148400000000, -0.0002824000000000, 0.0003141000000000 ] - [ 0.0003549500000000, -0.0003527900000000, -0.0003410000000000 ] - [ 0.0006149700000000, 0.0004433800000000, -0.0014084900000000 ] - [ -0.0001071700000000, 0.0018724200000000, 0.0020911900000000 ] - [ -0.0008943700000000, 0.0002512600000000, -0.0005493900000000 ] - [ 0.0005805100000000, 0.0000933400000000, 0.0004321100000000 ] - [ -0.0008027700000000, 0.0005059700000000, -0.0026799100000000 ] - [ 0.0007965900000000, -0.0012240900000000, 0.0013319000000000 ] - [ -0.0024445200000000, -0.0020167100000000, 0.0122668100000000 ] - [ 0.0023333300000000, -0.0002042700000000, -0.0005020800000000 ] - [ 0.0000377500000000, -0.0008311600000000, 0.0019621000000000 ] - [ 0.0002959000000000, 0.0005605900000000, -0.0002864000000000 ] - [ -0.0004678100000000, -0.0001003300000000, -0.0009339900000000 ] - [ 0.0005486700000000, 0.0000667700000000, 0.0006824100000000 ] - [ -0.0012769500000000, 0.0004340200000000, -0.0002225600000000 ] - [ 0.0010475600000000, -0.0009188300000000, 0.0009456000000000 ] - [ 0.0016561000000000, -0.0003720100000000, -0.0009958100000000 ] - [ 0.0024085700000000, 0.0023302900000000, 0.0136028200000000 ] - [ 0.0025679700000000, 0.0006416500000000, -0.0024072900000000 ] - [ 0.0003261400000000, 0.0001884600000000, 0.0016590500000000 ] - [ 0.0010883400000000, -0.0004875800000000, -0.0002243700000000 ] - [ -0.0012924200000000, -0.0001484000000000, -0.0000385400000000 ] - [ 0.0007669500000000, 0.0004147800000000, 0.0016554600000000 ] - [ -0.0004353700000000, -0.0014084200000000, -0.0021476900000000 ] - [ -0.0041774800000000, 0.0010829300000000, -0.0017438200000000 ] - [ 0.0021123800000000, 0.0000433600000000, 0.0001031000000000 ] - [ -0.0022954800000000, 0.0008220300000000, 0.0003546000000000 ] - [ 0.0012061500000000, -0.0003239600000000, 0.0003704900000000 ] - [ 0.0000325700000000, -0.0001793800000000, -0.0010535700000000 ] - [ 0.0001463000000000, -0.0002711800000000, 0.0007305800000000 ] - [ -0.0039107500000000, -0.0008599300000000, 0.0014273900000000 ] - [ 0.0021870100000000, 0.0004315000000000, -0.0009993800000000 ] - [ 0.0029636200000000, -0.0006886000000000, -0.0044323100000000 ] - [ 0.0003558600000000, 0.0018013000000000, 0.0010310900000000 ] - [ -0.0081936700000000, -0.0010406900000000, 0.0033004100000000 ] - [ 0.1562998500000000, -0.0675736500000000, 0.0755074300000000 ] - [ 0.0056286300000000, -0.0041921500000000, -0.0015579900000000 ] - [ -0.0048652700000000, 0.0006499100000000, -0.0012294700000000 ] - [ 0.0003258400000000, 0.0006797100000000, 0.0006288200000000 ] - [ -0.0003685600000000, 0.0003626100000000, -0.0010598200000000 ] - [ -0.0001034100000000, 0.0008162200000000, -0.0010850000000000 ] - [ -0.0000442400000000, 0.0004871600000000, 0.0006371300000000 ] - [ -0.0039851700000000, 0.0002590800000000, 0.0017087900000000 ] - [ 0.0021730700000000, -0.0099157600000000, -0.0041405600000000 ] - [ 0.0033823400000000, 0.0009531000000000, 0.0009620400000000 ] - [ -0.0013119400000000, 0.0009898500000000, -0.0006763900000000 ] - [ 0.0023767300000000, -0.0004243700000000, 0.0021521100000000 ] - [ -0.0004910500000000, 0.0003508600000000, -0.0012509100000000 ] - [ -0.0005626200000000, -0.0011017200000000, -0.0053011500000000 ] - [ -0.0026598400000000, -0.0009342900000000, 0.0000767400000000 ] - [ 0.0005811900000000, -0.0004755400000000, -0.0012632500000000 ] - [ -0.0016666000000000, 0.0004408000000000, 0.0011926500000000 ] - [ 0.0018642700000000, 0.0000109200000000, 0.0017554600000000 ] - [ -0.0011135100000000, -0.0002990800000000, -0.0008596800000000 ] - [ 0.0138824300000000, -0.0027955400000000, 0.0057714500000000 ] - [ -0.0044001400000000, -0.0004722500000000, -0.0035673900000000 ] - [ -0.0033176800000000, 0.0009686200000000, 0.0018983000000000 ] - [ 0.0013805400000000, 0.0032154900000000, -0.0007330500000000 ] - [ -0.0000057200000000, 0.0002411500000000, 0.0007804100000000 ] - [ 0.0003078300000000, 0.0000789700000000, -0.0005399200000000 ] - [ 0.0000967800000000, -0.0002340500000000, 0.0008025500000000 ] - [ -0.0002534000000000, 0.0000996200000000, -0.0015066800000000 ] - [ 0.0126102000000000, -0.0064579700000000, -0.0021299700000000 ] - [ -0.0066993700000000, -0.0040932500000000, -0.0003990600000000 ] - [ 0.0056610400000000, -0.0081902600000000, 0.0004937700000000 ] - [ -0.0078464500000000, 0.0071553500000000, 0.0008602500000000 ]- atom: 9 displacement: [ -0.0099999278170813, 0.0000000000000000, 0.0000379954360843 ] forces: - [ 0.0054089400000000, 0.0145471000000000, -0.0058365800000000 ] - [ -0.0033422700000000, -0.0006653500000000, 0.0002582200000000 ] - [ -0.0046097600000000, 0.0006240500000000, -0.0024897400000000 ] - [ -0.0013292900000000, -0.0061830400000000, 0.0013025200000000 ] - [ -0.0006636500000000, -0.0004481000000000, -0.0004106200000000 ] - [ -0.0000084800000000, -0.0006307400000000, 0.0000626500000000 ] - [ 0.0004120300000000, -0.0002590300000000, 0.0004887600000000 ] - [ 0.0002702800000000, -0.0003797400000000, -0.0002223500000000 ] - [ 0.2209185500000000, -0.1058783800000000, 0.0932680600000000 ] - [ -0.0064766000000000, 0.0008059000000000, 0.0000528400000000 ] - [ -0.0046771800000000, 0.0013549200000000, -0.0002387900000000 ] - [ 0.0014211800000000, 0.0005068400000000, -0.0001012600000000 ] - [ 0.0000692200000000, -0.0001005200000000, -0.0002262100000000 ] - [ 0.0002754100000000, -0.0001432400000000, 0.0002562600000000 ] - [ -0.0000959800000000, -0.0001610900000000, 0.0003488000000000 ] - [ -0.0004505600000000, -0.0002671000000000, -0.0007132700000000 ] - [ -0.0150541600000000, -0.0027254600000000, -0.0005486600000000 ] - [ -0.0353778100000000, 0.0131796800000000, 0.0011372400000000 ] - [ 0.0059673900000000, 0.0030324400000000, -0.0003820400000000 ] - [ -0.0039565600000000, 0.0003983900000000, 0.0005361400000000 ] - [ -0.0004252800000000, -0.0002382800000000, 0.0005633800000000 ] - [ -0.0004877500000000, -0.0002939200000000, -0.0004578400000000 ] - [ 0.0004798000000000, -0.0003107200000000, -0.0005072800000000 ] - [ 0.0005416400000000, -0.0002404000000000, 0.0001464500000000 ] - [ -0.0003317200000000, 0.0000993700000000, 0.0017349200000000 ] - [ 0.0003877500000000, -0.0013349400000000, -0.0017871800000000 ] - [ 0.0006061100000000, 0.0002927300000000, 0.0002454300000000 ] - [ -0.0008622800000000, 0.0004478300000000, -0.0007526100000000 ] - [ 0.0005342200000000, -0.0010464900000000, 0.0023701600000000 ] - [ -0.0010952800000000, 0.0006759900000000, -0.0016302200000000 ] - [ 0.0027687700000000, 0.0014804600000000, -0.0119932700000000 ] - [ -0.0020580000000000, -0.0003349400000000, 0.0008067800000000 ] - [ -0.0000129000000000, 0.0010497500000000, -0.0017490800000000 ] - [ -0.0002731100000000, -0.0003420500000000, 0.0004986300000000 ] - [ 0.0004456200000000, 0.0003169600000000, 0.0007182800000000 ] - [ -0.0005767300000000, 0.0001508100000000, -0.0008959400000000 ] - [ 0.0012481900000000, -0.0006482100000000, 0.0000057300000000 ] - [ -0.0010732700000000, 0.0007023900000000, -0.0011679100000000 ] - [ -0.0016333500000000, 0.0001577200000000, 0.0012238500000000 ] - [ -0.0024596500000000, -0.0025900500000000, -0.0133329800000000 ] - [ -0.0024552200000000, -0.0009686800000000, 0.0026597400000000 ] - [ -0.0001902100000000, -0.0005093100000000, -0.0014231300000000 ] - [ -0.0012208800000000, 0.0001661500000000, -0.0000096600000000 ] - [ 0.0011701100000000, -0.0001729900000000, -0.0002068300000000 ] - [ -0.0008870400000000, -0.0000946400000000, -0.0019016200000000 ] - [ 0.0002895600000000, 0.0017308000000000, 0.0018999900000000 ] - [ 0.0043232500000000, -0.0007749300000000, 0.0019724300000000 ] - [ -0.0019909600000000, 0.0002810300000000, 0.0001419600000000 ] - [ 0.0021966800000000, -0.0011014600000000, -0.0001809600000000 ] - [ -0.0013125000000000, 0.0000493900000000, -0.0002041600000000 ] - [ 0.0000717200000000, -0.0000943200000000, 0.0008839000000000 ] - [ -0.0000504900000000, -0.0000044300000000, -0.0009060700000000 ] - [ 0.0040091400000000, 0.0011741900000000, -0.0015575400000000 ] - [ -0.0020851200000000, -0.0001565000000000, 0.0008145700000000 ] - [ -0.0030712000000000, 0.0009708000000000, 0.0046240800000000 ] - [ -0.0004718100000000, -0.0015263200000000, -0.0008518400000000 ] - [ 0.0081850600000000, -0.0000461300000000, -0.0031668900000000 ] - [ -0.1502260800000000, 0.0620541100000000, -0.0702381100000000 ] - [ -0.0056159300000000, 0.0031181400000000, 0.0013977100000000 ] - [ 0.0048908100000000, -0.0017467600000000, 0.0010703400000000 ] - [ -0.0003102500000000, 0.0004094900000000, -0.0007908100000000 ] - [ 0.0003874000000000, 0.0007282700000000, 0.0008967200000000 ] - [ 0.0000814300000000, 0.0002802800000000, 0.0012500400000000 ] - [ 0.0000233100000000, 0.0006045200000000, -0.0004700200000000 ] - [ 0.0022989100000000, 0.0002785100000000, -0.0022241200000000 ] - [ -0.0038580800000000, 0.0104987200000000, 0.0036661100000000 ] - [ -0.0016609000000000, -0.0004207900000000, -0.0004703900000000 ] - [ 0.0029996700000000, -0.0004516900000000, 0.0011897500000000 ] - [ -0.0006967300000000, -0.0001162800000000, -0.0016537900000000 ] - [ 0.0021961100000000, -0.0008911100000000, 0.0017458900000000 ] - [ -0.0011312800000000, 0.0005629600000000, 0.0047918200000000 ] - [ 0.0009841700000000, 0.0003964700000000, -0.0005637900000000 ] - [ -0.0014526000000000, 0.0002506600000000, 0.0014399000000000 ] - [ 0.0008130600000000, -0.0006660800000000, -0.0010038700000000 ] - [ -0.0010200200000000, -0.0002389900000000, -0.0019420700000000 ] - [ 0.0019863400000000, 0.0000761300000000, 0.0006752500000000 ] - [ -0.0128336100000000, 0.0030287400000000, -0.0061990700000000 ] - [ 0.0052602200000000, 0.0006929400000000, 0.0034193100000000 ] - [ 0.0024581300000000, -0.0007432100000000, -0.0017304600000000 ] - [ -0.0022273800000000, -0.0030316100000000, 0.0009253800000000 ] - [ 0.0003201100000000, -0.0001656800000000, -0.0003410300000000 ] - [ 0.0000012900000000, -0.0000043400000000, 0.0009959300000000 ] - [ -0.0004042600000000, 0.0003016100000000, -0.0012587700000000 ] - [ -0.0000549600000000, -0.0000330200000000, 0.0010644200000000 ] - [ -0.0131820600000000, 0.0069141500000000, 0.0017257000000000 ] - [ 0.0064102900000000, 0.0039803600000000, -0.0000530600000000 ] - [ -0.0055185700000000, 0.0079738700000000, -0.0000673900000000 ] - [ 0.0081478900000000, -0.0071645700000000, -0.0004167100000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0179305600000000, 0.0396682600000000, -0.0192108700000000 ] - [ -0.0000506700000000, 0.0004923400000000, 0.0000633300000000 ] - [ -0.0055215700000000, 0.0011276400000000, -0.0029229300000000 ] - [ 0.0058226600000000, 0.0051742400000000, -0.0033926600000000 ] - [ -0.0005180400000000, -0.0006400700000000, -0.0003261500000000 ] - [ -0.0003540700000000, -0.0009889200000000, -0.0000550500000000 ] - [ 0.0002686200000000, -0.0001761600000000, 0.0001754300000000 ] - [ 0.0002845200000000, 0.0000653500000000, 0.0000745300000000 ] - [ 0.1075898400000000, -0.1321963500000000, 0.0636859800000000 ] - [ -0.0008363800000000, -0.0006214700000000, 0.0001055700000000 ] - [ 0.0013347700000000, 0.0091580500000000, -0.0008012600000000 ] - [ 0.0005553500000000, 0.0032312700000000, 0.0018506700000000 ] - [ 0.0001268100000000, -0.0004133900000000, 0.0000395600000000 ] - [ 0.0001679000000000, -0.0004138600000000, -0.0000807500000000 ] - [ -0.0001869700000000, 0.0001185200000000, 0.0000694900000000 ] - [ -0.0002954500000000, 0.0000877200000000, -0.0004237600000000 ] - [ 0.0025203900000000, -0.0046290700000000, -0.0000189500000000 ] - [ -0.0087158400000000, -0.0060892500000000, 0.0000993000000000 ] - [ 0.0033427700000000, 0.0082075600000000, 0.0006884100000000 ] - [ -0.0011267900000000, 0.0011198500000000, 0.0006675500000000 ] - [ -0.0002970800000000, -0.0006235700000000, -0.0000446700000000 ] - [ -0.0003073500000000, -0.0006257700000000, 0.0000341500000000 ] - [ 0.0005723400000000, 0.0000214800000000, -0.0004080900000000 ] - [ 0.0006392300000000, 0.0000535400000000, -0.0000588000000000 ] - [ -0.0003107900000000, -0.0002071700000000, 0.0011810900000000 ] - [ 0.0008359300000000, -0.0001911200000000, 0.0002952700000000 ] - [ -0.0006097500000000, 0.0007989800000000, 0.0012831300000000 ] - [ 0.0000266400000000, 0.0004915300000000, -0.0000877700000000 ] - [ 0.0021522700000000, 0.0016791800000000, -0.0029352500000000 ] - [ -0.0018227300000000, 0.0000420300000000, -0.0009297200000000 ] - [ -0.0015603200000000, -0.0002293400000000, -0.0129506000000000 ] - [ 0.0001646000000000, -0.0007267700000000, 0.0001144000000000 ] - [ -0.0001635300000000, 0.0013155500000000, -0.0016529700000000 ] - [ 0.0000464600000000, 0.0002875800000000, -0.0000913000000000 ] - [ 0.0001520100000000, -0.0004666900000000, -0.0010113700000000 ] - [ -0.0001729700000000, -0.0003165100000000, -0.0006285300000000 ] - [ -0.0002765300000000, 0.0021488100000000, -0.0010033700000000 ] - [ -0.0001643800000000, 0.0010022200000000, -0.0006671000000000 ] - [ -0.0003011400000000, -0.0010772300000000, -0.0003682800000000 ] - [ 0.0009459900000000, -0.0081495100000000, 0.0008472000000000 ] - [ 0.0003559000000000, -0.0002688900000000, -0.0001458200000000 ] - [ -0.0008756600000000, -0.0011179000000000, -0.0012323400000000 ] - [ -0.0005859300000000, 0.0001595200000000, -0.0004477300000000 ] - [ 0.0006092700000000, 0.0007059700000000, -0.0015376100000000 ] - [ 0.0012756000000000, -0.0001085600000000, 0.0011279300000000 ] - [ -0.0008688700000000, -0.0000323400000000, 0.0007811200000000 ] - [ 0.0028496700000000, 0.0028302400000000, 0.0049562400000000 ] - [ -0.0009634500000000, 0.0002925900000000, 0.0003004400000000 ] - [ 0.0006314400000000, -0.0012965200000000, -0.0014752800000000 ] - [ -0.0001456300000000, -0.0003503700000000, -0.0000943100000000 ] - [ 0.0005530100000000, 0.0006940300000000, -0.0007506700000000 ] - [ -0.0004247100000000, 0.0000578400000000, -0.0011164400000000 ] - [ -0.0016290700000000, 0.0022687000000000, 0.0069250400000000 ] - [ -0.0002605500000000, -0.0000466100000000, 0.0002567600000000 ] - [ -0.0038638500000000, 0.0010228100000000, 0.0051843700000000 ] - [ 0.0001120700000000, 0.0013718800000000, 0.0004588400000000 ] - [ -0.0002166100000000, 0.0000980300000000, 0.0008731600000000 ] - [ -0.0620486600000000, 0.0739704100000000, -0.0376878100000000 ] - [ -0.0014641700000000, -0.0070504700000000, -0.0000741100000000 ] - [ 0.0011811100000000, -0.0037113000000000, -0.0006645400000000 ] - [ 0.0000009300000000, 0.0013588500000000, 0.0005847700000000 ] - [ 0.0000918900000000, 0.0010683200000000, 0.0003793200000000 ] - [ 0.0001077000000000, -0.0002795900000000, 0.0010901700000000 ] - [ -0.0000723400000000, 0.0000846400000000, 0.0002384200000000 ] - [ 0.0016944900000000, 0.0023435000000000, -0.0012012000000000 ] - [ -0.0049012200000000, 0.0026260600000000, -0.0021941100000000 ] - [ 0.0037510500000000, -0.0027402200000000, -0.0013512200000000 ] - [ 0.0002406100000000, -0.0010155700000000, 0.0003691000000000 ] - [ -0.0001586600000000, -0.0006166600000000, 0.0028436600000000 ] - [ 0.0017148600000000, -0.0001089000000000, 0.0017457000000000 ] - [ -0.0001736900000000, 0.0001320500000000, 0.0050378500000000 ] - [ -0.0010295700000000, -0.0001715800000000, 0.0001863300000000 ] - [ -0.0012720600000000, 0.0012146200000000, -0.0013407400000000 ] - [ -0.0001978700000000, 0.0003174700000000, -0.0002228400000000 ] - [ 0.0002721800000000, -0.0012778900000000, -0.0021761100000000 ] - [ 0.0007891800000000, -0.0008093100000000, 0.0000789000000000 ] - [ -0.0019688900000000, 0.0121108100000000, -0.0019516000000000 ] - [ 0.0016850500000000, 0.0031040900000000, 0.0000306200000000 ] - [ -0.0003003300000000, -0.0024868600000000, -0.0002634300000000 ] - [ 0.0010299900000000, -0.0112802000000000, 0.0031137800000000 ] - [ 0.0001871900000000, -0.0002848400000000, 0.0001674200000000 ] - [ 0.0001747600000000, -0.0001499400000000, 0.0010192700000000 ] - [ -0.0002749800000000, 0.0003123800000000, -0.0000217600000000 ] - [ -0.0000039500000000, 0.0002475300000000, 0.0001600600000000 ] - [ -0.0092067000000000, 0.0184751900000000, 0.0026789500000000 ] - [ -0.0008511600000000, 0.0014281300000000, -0.0016354000000000 ] - [ -0.0154327000000000, -0.0085538200000000, -0.0029132200000000 ] - [ 0.0038571100000000, -0.0020467600000000, -0.0012948000000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0189712300000000, -0.0393232300000000, 0.0199266000000000 ] - [ 0.0007601100000000, 0.0003967500000000, 0.0002862300000000 ] - [ 0.0047152800000000, -0.0002617900000000, 0.0025099200000000 ] - [ -0.0064763000000000, -0.0043176800000000, 0.0029814300000000 ] - [ -0.0002106800000000, -0.0002379900000000, -0.0000315300000000 ] - [ -0.0003686700000000, 0.0001040400000000, -0.0002990900000000 ] - [ 0.0004585300000000, -0.0006965900000000, 0.0001854500000000 ] - [ 0.0004415400000000, -0.0009423500000000, 0.0002799700000000 ] - [ -0.1090158500000000, 0.1322937900000000, -0.0652096200000000 ] - [ 0.0004560800000000, 0.0009125000000000, -0.0002714100000000 ] - [ -0.0010383300000000, -0.0088467000000000, 0.0009653300000000 ] - [ -0.0001726400000000, -0.0029287500000000, -0.0016902000000000 ] - [ 0.0002273800000000, 0.0001182000000000, 0.0001234300000000 ] - [ 0.0001870400000000, 0.0001196200000000, 0.0002469000000000 ] - [ -0.0001707800000000, -0.0004181600000000, -0.0002302400000000 ] - [ -0.0000635300000000, -0.0003863300000000, 0.0002542100000000 ] - [ -0.0015895400000000, 0.0052250100000000, -0.0001659900000000 ] - [ 0.0093817500000000, 0.0068465400000000, -0.0002635000000000 ] - [ -0.0041729500000000, -0.0075694200000000, -0.0005104400000000 ] - [ 0.0002005500000000, -0.0005219400000000, -0.0004712100000000 ] - [ -0.0005988600000000, 0.0000313400000000, 0.0002405800000000 ] - [ -0.0005904900000000, 0.0000323300000000, 0.0001540100000000 ] - [ 0.0003229500000000, -0.0006155300000000, 0.0002145100000000 ] - [ 0.0002586600000000, -0.0006479600000000, -0.0001289900000000 ] - [ 0.0005844000000000, 0.0007407900000000, -0.0008472900000000 ] - [ -0.0005514600000000, 0.0007019500000000, -0.0000063400000000 ] - [ 0.0003350100000000, -0.0002541200000000, -0.0015896700000000 ] - [ -0.0003126500000000, 0.0000541800000000, -0.0002292600000000 ] - [ -0.0024339500000000, -0.0022119100000000, 0.0026478100000000 ] - [ 0.0015486800000000, -0.0005688300000000, 0.0006120900000000 ] - [ 0.0018477600000000, -0.0003513900000000, 0.0131085900000000 ] - [ 0.0001003200000000, 0.0001777900000000, 0.0001979800000000 ] - [ 0.0001896100000000, -0.0010961800000000, 0.0018516400000000 ] - [ -0.0000250800000000, -0.0000783800000000, 0.0003025200000000 ] - [ -0.0001728300000000, 0.0006941200000000, 0.0008062600000000 ] - [ 0.0001425700000000, 0.0005386900000000, 0.0004150200000000 ] - [ 0.0002595900000000, -0.0023542000000000, 0.0007816100000000 ] - [ 0.0001298700000000, -0.0012056400000000, 0.0004449400000000 ] - [ 0.0003200300000000, 0.0008525900000000, 0.0005738500000000 ] - [ -0.0010461000000000, 0.0078794700000000, -0.0008283600000000 ] - [ -0.0002672600000000, -0.0000661600000000, 0.0004211300000000 ] - [ 0.0010022900000000, 0.0007915800000000, 0.0014572400000000 ] - [ 0.0004511000000000, -0.0004785800000000, 0.0002157800000000 ] - [ -0.0007403100000000, -0.0010207800000000, 0.0013085200000000 ] - [ -0.0014090800000000, 0.0004362400000000, -0.0013779400000000 ] - [ 0.0007377500000000, 0.0003753300000000, -0.0010040200000000 ] - [ -0.0026798400000000, -0.0025306800000000, -0.0046573200000000 ] - [ 0.0010733500000000, 0.0000253700000000, -0.0000597000000000 ] - [ -0.0007100800000000, 0.0010134300000000, 0.0016542900000000 ] - [ 0.0000315700000000, 0.0000777600000000, 0.0002656200000000 ] - [ -0.0004542000000000, -0.0009634900000000, 0.0005873200000000 ] - [ 0.0005325400000000, -0.0003275900000000, 0.0009457600000000 ] - [ 0.0017485300000000, -0.0019711600000000, -0.0071394300000000 ] - [ 0.0003470800000000, 0.0003201900000000, -0.0004238100000000 ] - [ 0.0037155500000000, -0.0007484100000000, -0.0049321700000000 ] - [ -0.0002114900000000, -0.0011411400000000, -0.0002865400000000 ] - [ 0.0002121100000000, -0.0011919200000000, -0.0007107400000000 ] - [ 0.0640988500000000, -0.0752764600000000, 0.0391736600000000 ] - [ 0.0014291700000000, 0.0059688700000000, -0.0000448300000000 ] - [ -0.0011075900000000, 0.0025852000000000, 0.0005284000000000 ] - [ 0.0000218200000000, -0.0002633600000000, -0.0007373400000000 ] - [ -0.0000640700000000, 0.0000271800000000, -0.0005221100000000 ] - [ -0.0001317700000000, 0.0013823200000000, -0.0009310800000000 ] - [ 0.0000521800000000, 0.0010107500000000, -0.0000925200000000 ] - [ -0.0033478200000000, -0.0017669100000000, 0.0006910500000000 ] - [ 0.0031743500000000, -0.0018867800000000, 0.0017370900000000 ] - [ -0.0020812700000000, 0.0032667700000000, 0.0018445100000000 ] - [ 0.0014648200000000, 0.0015498300000000, 0.0001343800000000 ] - [ 0.0018414400000000, 0.0000533000000000, -0.0023659500000000 ] - [ -0.0000177000000000, -0.0004559800000000, -0.0012475100000000 ] - [ -0.0015280500000000, -0.0006722100000000, -0.0055096900000000 ] - [ -0.0006364500000000, -0.0003604500000000, -0.0006729100000000 ] - [ 0.0004047600000000, -0.0014448700000000, 0.0015203400000000 ] - [ -0.0006471600000000, -0.0005551100000000, 0.0003852500000000 ] - [ 0.0005703100000000, 0.0010554700000000, 0.0019715700000000 ] - [ 0.0000843600000000, 0.0005937700000000, -0.0002541100000000 ] - [ 0.0028079600000000, -0.0118249100000000, 0.0016623000000000 ] - [ -0.0008024200000000, -0.0028464800000000, -0.0001906700000000 ] - [ -0.0005261900000000, 0.0026922900000000, 0.0004214800000000 ] - [ -0.0019275100000000, 0.0115164600000000, -0.0029692700000000 ] - [ 0.0001250800000000, 0.0003523600000000, 0.0002782700000000 ] - [ 0.0001340100000000, 0.0002152800000000, -0.0005603500000000 ] - [ -0.0000348400000000, -0.0002406100000000, -0.0004547100000000 ] - [ -0.0003032100000000, -0.0001807400000000, -0.0006047500000000 ] - [ 0.0080643200000000, -0.0175562500000000, -0.0030361200000000 ] - [ 0.0005869800000000, -0.0014487300000000, 0.0011696700000000 ] - [ 0.0155910700000000, 0.0081222500000000, 0.0033199500000000 ] - [ -0.0035032700000000, 0.0019031200000000, 0.0017542800000000 ]- atom: 9 displacement: [ -0.0038283560719029, 0.0000000000000000, 0.0092381648495101 ] forces: - [ 0.0092215200000000, -0.0108234100000000, -0.0054357600000000 ] - [ -0.0011416700000000, 0.0003056800000000, -0.0003841400000000 ] - [ -0.0024364200000000, -0.0000163900000000, -0.0022444800000000 ] - [ -0.0039847500000000, -0.0081843000000000, -0.0028440600000000 ] - [ 0.0002343200000000, -0.0007704000000000, 0.0008462800000000 ] - [ -0.0004443100000000, -0.0008198900000000, 0.0011718000000000 ] - [ 0.0002720800000000, -0.0000048800000000, 0.0010247000000000 ] - [ 0.0009170400000000, -0.0000417700000000, 0.0010630100000000 ] - [ -0.0032930100000000, 0.0179734100000000, -0.0785145600000000 ] - [ -0.0027197700000000, 0.0005754100000000, -0.0007365000000000 ] - [ -0.0013721900000000, 0.0014309100000000, -0.0007209400000000 ] - [ 0.0008237500000000, -0.0013303600000000, -0.0021518800000000 ] - [ 0.0004280000000000, -0.0001753400000000, 0.0011184700000000 ] - [ 0.0000651300000000, -0.0003041600000000, 0.0012930100000000 ] - [ -0.0005421800000000, -0.0002952000000000, 0.0011276300000000 ] - [ 0.0003000800000000, 0.0001136500000000, 0.0009793200000000 ] - [ -0.0054479300000000, -0.0009931400000000, -0.0030610800000000 ] - [ -0.0157486600000000, 0.0058822800000000, -0.0088190500000000 ] - [ 0.0024792100000000, 0.0005002500000000, -0.0025626300000000 ] - [ -0.0016276100000000, 0.0001277300000000, -0.0003572800000000 ] - [ -0.0010667600000000, -0.0001358300000000, 0.0015483800000000 ] - [ -0.0000891800000000, -0.0004923900000000, 0.0011413400000000 ] - [ 0.0005362600000000, -0.0002557900000000, 0.0008939900000000 ] - [ 0.0001660000000000, -0.0001210000000000, 0.0010224300000000 ] - [ -0.0004581300000000, -0.0000378300000000, 0.0016743700000000 ] - [ 0.0010584500000000, 0.0015502100000000, 0.0033284000000000 ] - [ -0.0003421400000000, 0.0008595500000000, 0.0021477200000000 ] - [ -0.0004853900000000, 0.0005623600000000, 0.0002417500000000 ] - [ -0.0009260700000000, -0.0012251300000000, 0.0000162600000000 ] - [ 0.0007194400000000, 0.0000651600000000, -0.0011555000000000 ] - [ 0.0079399600000000, -0.0071162600000000, 0.0044011400000000 ] - [ -0.0016008800000000, -0.0005755800000000, -0.0004694000000000 ] - [ 0.0005635200000000, -0.0012122100000000, 0.0019029100000000 ] - [ -0.0005334800000000, -0.0009264800000000, 0.0009671300000000 ] - [ -0.0004078000000000, 0.0000078900000000, 0.0015898000000000 ] - [ 0.0004590600000000, 0.0000833800000000, 0.0006948400000000 ] - [ 0.0001413900000000, 0.0002898300000000, -0.0009834700000000 ] - [ -0.0003181600000000, 0.0003843100000000, -0.0009097300000000 ] - [ -0.0009365200000000, -0.0001582600000000, 0.0000951700000000 ] - [ 0.0162750700000000, 0.0026678300000000, 0.0121891300000000 ] - [ -0.0058366000000000, -0.0019110800000000, 0.0057497500000000 ] - [ 0.0016959600000000, 0.0002673900000000, 0.0008558700000000 ] - [ 0.0000057200000000, -0.0001324100000000, 0.0003534200000000 ] - [ -0.0001700600000000, -0.0001458600000000, 0.0007793000000000 ] - [ 0.0004203000000000, 0.0003854400000000, -0.0010288100000000 ] - [ -0.0018650900000000, 0.0025701100000000, 0.0007699200000000 ] - [ 0.0004827000000000, 0.0041771900000000, 0.0029203300000000 ] - [ -0.0006073000000000, 0.0002150700000000, -0.0000768000000000 ] - [ 0.0017388400000000, -0.0005435700000000, 0.0031333200000000 ] - [ -0.0018006100000000, -0.0000077200000000, 0.0005403900000000 ] - [ -0.0007147200000000, -0.0001876700000000, 0.0009039600000000 ] - [ 0.0003966700000000, -0.0000126600000000, 0.0004953300000000 ] - [ 0.0017635300000000, 0.0066480700000000, 0.0029353800000000 ] - [ -0.0006989800000000, 0.0001734800000000, -0.0001335100000000 ] - [ -0.0018335200000000, 0.0008668500000000, 0.0014394900000000 ] - [ 0.0022510300000000, 0.0019572900000000, -0.0011164500000000 ] - [ 0.0037376200000000, -0.0003477800000000, -0.0000519700000000 ] - [ 0.0062288000000000, -0.0125306200000000, 0.0520650500000000 ] - [ -0.0030058700000000, 0.0044967200000000, 0.0040443300000000 ] - [ 0.0017149700000000, -0.0007087200000000, 0.0013048400000000 ] - [ 0.0006901600000000, 0.0006159800000000, -0.0029072700000000 ] - [ -0.0006151600000000, 0.0006232500000000, -0.0018659900000000 ] - [ -0.0005569100000000, 0.0006709700000000, -0.0017730500000000 ] - [ 0.0005267700000000, 0.0006231400000000, -0.0016901000000000 ] - [ 0.0008016700000000, 0.0002770200000000, -0.0015406700000000 ] - [ -0.0043546100000000, -0.0098034200000000, -0.0049133700000000 ] - [ 0.0021924800000000, -0.0022937300000000, -0.0014793000000000 ] - [ 0.0011388600000000, -0.0003372000000000, 0.0004145300000000 ] - [ 0.0016450400000000, 0.0007890100000000, -0.0011332500000000 ] - [ 0.0004385900000000, -0.0000100100000000, 0.0002398300000000 ] - [ -0.0030024500000000, 0.0001631900000000, -0.0033613600000000 ] - [ 0.0027470400000000, 0.0014359300000000, 0.0002874700000000 ] - [ -0.0025942400000000, -0.0010344200000000, -0.0023384200000000 ] - [ 0.0015394900000000, -0.0013128300000000, -0.0021306900000000 ] - [ 0.0019816300000000, -0.0006146600000000, -0.0036620100000000 ] - [ -0.0007760300000000, -0.0004559900000000, -0.0017141000000000 ] - [ -0.0003846500000000, 0.0031283900000000, 0.0021755200000000 ] - [ 0.0011316600000000, 0.0001078300000000, 0.0026185800000000 ] - [ 0.0009848900000000, -0.0002398900000000, 0.0002562300000000 ] - [ -0.0026601200000000, 0.0011562500000000, 0.0003396600000000 ] - [ 0.0005210800000000, -0.0003489600000000, -0.0021110400000000 ] - [ -0.0002201400000000, -0.0000964500000000, -0.0016180800000000 ] - [ -0.0000245200000000, 0.0005868200000000, -0.0040103900000000 ] - [ -0.0003321600000000, 0.0004410900000000, -0.0032548300000000 ] - [ -0.0046075200000000, 0.0034579100000000, 0.0115165700000000 ] - [ 0.0024739200000000, 0.0016328300000000, 0.0036540300000000 ] - [ -0.0018591400000000, 0.0014262000000000, 0.0103259900000000 ] - [ 0.0025936900000000, -0.0031815400000000, 0.0026638200000000 ]- atom: 9 displacement: [ 0.0038283560719029, 0.0000000000000000, -0.0092381648495101 ] forces: - [ -0.0085408300000000, 0.0118519100000000, 0.0056721800000000 ] - [ 0.0018689700000000, 0.0005581000000000, 0.0007522000000000 ] - [ 0.0017186500000000, 0.0008873100000000, 0.0018931600000000 ] - [ 0.0032839400000000, 0.0091402100000000, 0.0025458300000000 ] - [ -0.0009650900000000, -0.0000895400000000, -0.0012251500000000 ] - [ -0.0002788200000000, -0.0000416200000000, -0.0015463300000000 ] - [ 0.0004531100000000, -0.0008647000000000, -0.0006617900000000 ] - [ -0.0001975500000000, -0.0008268500000000, -0.0007016300000000 ] - [ 0.0025953700000000, -0.0181834500000000, 0.0801018100000000 ] - [ 0.0023647100000000, -0.0002760900000000, 0.0005737500000000 ] - [ 0.0017481500000000, -0.0011168100000000, 0.0008940100000000 ] - [ -0.0004724600000000, 0.0016529600000000, 0.0023379800000000 ] - [ -0.0000781400000000, -0.0001290200000000, -0.0009601900000000 ] - [ 0.0002935800000000, -0.0000003400000000, -0.0011314700000000 ] - [ 0.0001916100000000, -0.0000040700000000, -0.0013023200000000 ] - [ -0.0006549500000000, -0.0004154600000000, -0.0011526000000000 ] - [ 0.0063655400000000, 0.0015802000000000, 0.0028488900000000 ] - [ 0.0166435100000000, -0.0052730800000000, 0.0087476100000000 ] - [ -0.0033893700000000, 0.0001006900000000, 0.0027800700000000 ] - [ 0.0007327700000000, 0.0004671700000000, 0.0005577300000000 ] - [ 0.0001713600000000, -0.0004592800000000, -0.0013606300000000 ] - [ -0.0008115200000000, -0.0001008000000000, -0.0009513800000000 ] - [ 0.0003585800000000, -0.0003349000000000, -0.0010971300000000 ] - [ 0.0007358400000000, -0.0004704700000000, -0.0012255000000000 ] - [ 0.0007451600000000, 0.0005784900000000, -0.0013726900000000 ] - [ -0.0007740800000000, -0.0010188000000000, -0.0030323400000000 ] - [ 0.0000563700000000, -0.0003281300000000, -0.0024743800000000 ] - [ 0.0002051000000000, -0.0000280200000000, -0.0005514100000000 ] - [ 0.0006495300000000, 0.0006871600000000, -0.0003450600000000 ] - [ -0.0010181100000000, -0.0006006000000000, 0.0008371400000000 ] - [ -0.0077540600000000, 0.0066643700000000, -0.0041189600000000 ] - [ 0.0019021900000000, 0.0000424700000000, 0.0008003500000000 ] - [ -0.0005391200000000, 0.0014575700000000, -0.0016778100000000 ] - [ 0.0005696400000000, 0.0011718500000000, -0.0007385300000000 ] - [ 0.0003811500000000, 0.0002173300000000, -0.0018277700000000 ] - [ -0.0004906700000000, 0.0001440200000000, -0.0009362600000000 ] - [ -0.0001702400000000, -0.0005323000000000, 0.0007650600000000 ] - [ 0.0002926100000000, -0.0006216100000000, 0.0006875900000000 ] - [ 0.0009628400000000, -0.0000757100000000, 0.0001306600000000 ] - [ -0.0161183000000000, -0.0029081400000000, -0.0119098100000000 ] - [ 0.0060513500000000, 0.0016135300000000, -0.0055954300000000 ] - [ -0.0015851200000000, -0.0005945000000000, -0.0006144800000000 ] - [ -0.0001334100000000, -0.0001911500000000, -0.0006014300000000 ] - [ 0.0000538600000000, -0.0001771400000000, -0.0010329200000000 ] - [ -0.0005449300000000, -0.0000632200000000, 0.0008027200000000 ] - [ 0.0017586200000000, -0.0022801200000000, -0.0010037000000000 ] - [ -0.0003387400000000, -0.0038368000000000, -0.0026784200000000 ] - [ 0.0007310800000000, 0.0001110500000000, 0.0003132500000000 ] - [ -0.0018688600000000, 0.0002781100000000, -0.0029860500000000 ] - [ 0.0017246900000000, -0.0002705100000000, -0.0003660400000000 ] - [ 0.0008170300000000, -0.0000859100000000, -0.0010895700000000 ] - [ -0.0003015700000000, -0.0002629300000000, -0.0006817800000000 ] - [ -0.0017004800000000, -0.0064630500000000, -0.0031300800000000 ] - [ 0.0008013300000000, 0.0000988600000000, -0.0000308500000000 ] - [ 0.0017374000000000, -0.0005867900000000, -0.0012810400000000 ] - [ -0.0023622600000000, -0.0016835800000000, 0.0012898700000000 ] - [ -0.0037559500000000, -0.0007265100000000, 0.0002392700000000 ] - [ -0.0064306300000000, 0.0116533000000000, -0.0525639000000000 ] - [ 0.0030311500000000, -0.0056059800000000, -0.0042579700000000 ] - [ -0.0017183000000000, -0.0003797100000000, -0.0014988500000000 ] - [ -0.0006862900000000, 0.0004655300000000, 0.0027461600000000 ] - [ 0.0006288700000000, 0.0004587600000000, 0.0017108500000000 ] - [ 0.0005508900000000, 0.0004197600000000, 0.0019597100000000 ] - [ -0.0005433000000000, 0.0004580900000000, 0.0018772800000000 ] - [ -0.0025026700000000, 0.0002530600000000, 0.0010424100000000 ] - [ 0.0026528900000000, 0.0103747500000000, 0.0044426500000000 ] - [ -0.0005053600000000, 0.0028513000000000, 0.0019934700000000 ] - [ 0.0005564400000000, 0.0008715700000000, 0.0000845800000000 ] - [ 0.0000412400000000, -0.0013091700000000, 0.0016564100000000 ] - [ 0.0012665300000000, -0.0005226700000000, 0.0002859500000000 ] - [ 0.0013298900000000, -0.0007047200000000, 0.0028544600000000 ] - [ -0.0044807300000000, -0.0019898000000000, -0.0008199400000000 ] - [ 0.0017516900000000, 0.0008235500000000, 0.0025331400000000 ] - [ -0.0024195100000000, 0.0011106500000000, 0.0023227200000000 ] - [ -0.0011265600000000, 0.0003831500000000, 0.0034928400000000 ] - [ 0.0016500900000000, 0.0002337400000000, 0.0015471800000000 ] - [ 0.0017378600000000, -0.0028835800000000, -0.0032772600000000 ] - [ -0.0002754200000000, 0.0001148400000000, -0.0028308500000000 ] - [ -0.0018507600000000, 0.0004549000000000, -0.0000601400000000 ] - [ 0.0018123100000000, -0.0009831600000000, -0.0001315700000000 ] - [ -0.0002138600000000, 0.0004241700000000, 0.0025698600000000 ] - [ 0.0005275800000000, 0.0001681600000000, 0.0020808200000000 ] - [ -0.0002761200000000, -0.0005288700000000, 0.0035990600000000 ] - [ 0.0000235100000000, -0.0003825400000000, 0.0028322000000000 ] - [ 0.0042890900000000, -0.0034746700000000, -0.0120567000000000 ] - [ -0.0027669200000000, -0.0016942100000000, -0.0041267500000000 ] - [ 0.0020995000000000, -0.0015414200000000, -0.0099384000000000 ] - [ -0.0022740900000000, 0.0030998300000000, -0.0022476200000000 ]- atom: 17 displacement: [ 0.0099999278170813, 0.0000000000000000, -0.0000379954360843 ] forces: - [ 0.0055181600000000, -0.0008283400000000, 0.0029261500000000 ] - [ 0.0101387700000000, 0.0179346500000000, -0.0100973200000000 ] - [ -0.0048540000000000, -0.0044442600000000, -0.0011937800000000 ] - [ 0.0029839100000000, 0.0005608800000000, 0.0002903700000000 ] - [ -0.0002457800000000, -0.0003443900000000, -0.0006974400000000 ] - [ -0.0003962000000000, -0.0003901200000000, 0.0002005100000000 ] - [ 0.0005401900000000, -0.0004206300000000, 0.0003364400000000 ] - [ 0.0001599900000000, -0.0006809200000000, -0.0002797100000000 ] - [ 0.0153190200000000, 0.0022308800000000, -0.0000867800000000 ] - [ 0.0356566300000000, -0.0088076700000000, -0.0025488100000000 ] - [ -0.0062349100000000, -0.0036150500000000, 0.0006217200000000 ] - [ 0.0036911400000000, 0.0008201800000000, 0.0002656900000000 ] - [ 0.0001557400000000, 0.0000005700000000, -0.0006000800000000 ] - [ 0.0002200100000000, -0.0000084500000000, 0.0004884800000000 ] - [ -0.0002141500000000, -0.0002782700000000, -0.0000087700000000 ] - [ -0.0002739000000000, -0.0003419400000000, -0.0004381500000000 ] - [ -0.2383756000000000, -0.0062600900000000, 0.1066652200000000 ] - [ 0.0077857500000000, -0.0001852800000000, -0.0005404100000000 ] - [ 0.0044512600000000, -0.0009961500000000, -0.0000177900000000 ] - [ -0.0022576900000000, 0.0002152200000000, 0.0008891800000000 ] - [ -0.0005140300000000, -0.0002038200000000, 0.0003188600000000 ] - [ -0.0004770100000000, -0.0000876900000000, -0.0003752000000000 ] - [ 0.0005405800000000, -0.0003992000000000, -0.0006518300000000 ] - [ 0.0003702700000000, -0.0004304800000000, 0.0002222700000000 ] - [ -0.0009872000000000, -0.0011107200000000, -0.0014966200000000 ] - [ 0.0008385700000000, 0.0005000600000000, 0.0008036000000000 ] - [ 0.0004895000000000, -0.0000200700000000, -0.0016896100000000 ] - [ -0.0011133800000000, 0.0003796000000000, 0.0002214400000000 ] - [ -0.0028931900000000, -0.0031783700000000, 0.0056956000000000 ] - [ 0.0025849900000000, 0.0006604200000000, -0.0012658700000000 ] - [ 0.0010139300000000, 0.0010824500000000, -0.0041464400000000 ] - [ 0.0018415200000000, -0.0011755800000000, 0.0025335500000000 ] - [ -0.0004049700000000, 0.0005185700000000, -0.0010410400000000 ] - [ 0.0003579600000000, -0.0005350000000000, 0.0008445500000000 ] - [ -0.0002894700000000, 0.0006623500000000, 0.0010341200000000 ] - [ 0.0003969000000000, 0.0000708000000000, -0.0008720300000000 ] - [ 0.0011130100000000, -0.0003023800000000, -0.0005699400000000 ] - [ -0.0010963900000000, -0.0005134300000000, -0.0000004600000000 ] - [ 0.0000382800000000, -0.0053798500000000, -0.0114152200000000 ] - [ 0.0018048100000000, 0.0008910000000000, 0.0019269000000000 ] - [ 0.0017682100000000, 0.0002584200000000, -0.0001349800000000 ] - [ -0.0026479500000000, -0.0005908600000000, 0.0007188600000000 ] - [ 0.0002377800000000, 0.0000515600000000, -0.0009480500000000 ] - [ 0.0001320900000000, -0.0003925100000000, 0.0009422100000000 ] - [ -0.0047996300000000, 0.0003068900000000, -0.0026888800000000 ] - [ 0.0022991100000000, 0.0001402700000000, 0.0001233600000000 ] - [ 0.0008657800000000, 0.0005593900000000, 0.0018611200000000 ] - [ 0.0002537000000000, -0.0016778700000000, -0.0011866800000000 ] - [ -0.0000583200000000, -0.0002079200000000, -0.0014951200000000 ] - [ 0.0013100500000000, -0.0002828100000000, 0.0027425700000000 ] - [ -0.0011255200000000, -0.0007038700000000, 0.0006400500000000 ] - [ 0.0009473400000000, 0.0001020700000000, -0.0002140100000000 ] - [ 0.0034870800000000, 0.0004970100000000, -0.0049370200000000 ] - [ -0.0003852300000000, 0.0020898700000000, 0.0024631900000000 ] - [ -0.0036148400000000, -0.0004459100000000, 0.0021023400000000 ] - [ 0.0020560900000000, -0.0000280700000000, -0.0008541100000000 ] - [ 0.1624559500000000, 0.0161478500000000, -0.0803127400000000 ] - [ -0.0089519700000000, 0.0007180300000000, -0.0025040000000000 ] - [ -0.0047840000000000, -0.0002113500000000, 0.0009053100000000 ] - [ 0.0040747000000000, 0.0017397900000000, 0.0008832000000000 ] - [ 0.0001811300000000, 0.0001666900000000, -0.0009247700000000 ] - [ -0.0001898000000000, 0.0004947100000000, 0.0010434900000000 ] - [ 0.0000822700000000, 0.0006165500000000, 0.0010552900000000 ] - [ -0.0000754100000000, 0.0008727900000000, -0.0004765000000000 ] - [ 0.0023999100000000, 0.0087847400000000, 0.0024486400000000 ] - [ -0.0031205200000000, -0.0011440900000000, -0.0014462800000000 ] - [ -0.0026205900000000, 0.0011321800000000, 0.0021387500000000 ] - [ 0.0048206000000000, -0.0002203000000000, -0.0010672000000000 ] - [ 0.0010785500000000, -0.0001931900000000, -0.0033089300000000 ] - [ -0.0004409600000000, -0.0008424800000000, 0.0016231200000000 ] - [ 0.0013486900000000, 0.0000507000000000, 0.0037368900000000 ] - [ -0.0028246500000000, 0.0001564300000000, -0.0021935600000000 ] - [ 0.0006149100000000, -0.0002786000000000, 0.0027054500000000 ] - [ -0.0016506600000000, -0.0008360200000000, -0.0008431500000000 ] - [ 0.0017370300000000, 0.0004679800000000, -0.0012137300000000 ] - [ -0.0008838700000000, -0.0000407500000000, 0.0011491600000000 ] - [ -0.0048061300000000, -0.0008776800000000, 0.0029010900000000 ] - [ 0.0133758800000000, 0.0000668400000000, -0.0058722700000000 ] - [ 0.0054192600000000, -0.0047427000000000, 0.0022534100000000 ] - [ -0.0040787900000000, 0.0014569200000000, -0.0022842700000000 ] - [ 0.0002571500000000, 0.0001328000000000, 0.0011254700000000 ] - [ 0.0000808500000000, -0.0000008500000000, -0.0000426000000000 ] - [ -0.0005438200000000, -0.0001929900000000, 0.0011566500000000 ] - [ 0.0003159800000000, 0.0002010500000000, -0.0012295600000000 ] - [ 0.0031577300000000, -0.0096610300000000, -0.0009700800000000 ] - [ -0.0078955500000000, 0.0083413800000000, -0.0002995500000000 ] - [ 0.0122276200000000, -0.0025939400000000, -0.0031322100000000 ] - [ -0.0088703000000000, -0.0049765800000000, -0.0023907400000000 ]- atom: 17 displacement: [ -0.0099999278170813, 0.0000000000000000, 0.0000379954360843 ] forces: - [ -0.0047837600000000, 0.0016843300000000, -0.0025614300000000 ] - [ -0.0094159500000000, -0.0171878100000000, 0.0105571000000000 ] - [ 0.0041546100000000, 0.0052354600000000, 0.0008535900000000 ] - [ -0.0037041500000000, 0.0003135600000000, -0.0006497000000000 ] - [ -0.0004736400000000, -0.0005290000000000, 0.0003431400000000 ] - [ -0.0003244400000000, -0.0004793700000000, -0.0005527900000000 ] - [ 0.0001816900000000, -0.0004498800000000, 0.0000166700000000 ] - [ 0.0005587800000000, -0.0001867700000000, 0.0006331300000000 ] - [ -0.0154734300000000, -0.0018803500000000, -0.0000842900000000 ] - [ -0.0367238700000000, 0.0092933200000000, 0.0024501200000000 ] - [ 0.0065596300000000, 0.0038928600000000, -0.0004515200000000 ] - [ -0.0033315500000000, -0.0005133800000000, -0.0000930500000000 ] - [ 0.0002047000000000, -0.0003023600000000, 0.0007723000000000 ] - [ 0.0001403700000000, -0.0002922500000000, -0.0003167100000000 ] - [ -0.0001446700000000, -0.0000246300000000, -0.0001643800000000 ] - [ -0.0000855400000000, 0.0000397500000000, 0.0002673400000000 ] - [ 0.2475540200000000, 0.0086991400000000, -0.1134254100000000 ] - [ -0.0068730100000000, 0.0007665200000000, 0.0003344100000000 ] - [ -0.0053438500000000, 0.0015676600000000, 0.0002228700000000 ] - [ 0.0013708400000000, 0.0003779300000000, -0.0006941200000000 ] - [ -0.0003837000000000, -0.0003872500000000, -0.0001214800000000 ] - [ -0.0004268800000000, -0.0005040100000000, 0.0005784700000000 ] - [ 0.0003593800000000, -0.0001929600000000, 0.0004516400000000 ] - [ 0.0005311600000000, -0.0001629400000000, -0.0004237300000000 ] - [ 0.0012646700000000, 0.0016450000000000, 0.0017981400000000 ] - [ -0.0005567600000000, 0.0000452900000000, -0.0004776100000000 ] - [ -0.0007709700000000, 0.0005646400000000, 0.0013608500000000 ] - [ 0.0008387200000000, 0.0001662500000000, -0.0005339600000000 ] - [ 0.0025923900000000, 0.0026357400000000, -0.0059892600000000 ] - [ -0.0028579600000000, -0.0012054700000000, 0.0009544800000000 ] - [ -0.0007364900000000, -0.0016155800000000, 0.0044448800000000 ] - [ -0.0015417800000000, 0.0006254100000000, -0.0022364000000000 ] - [ 0.0004319200000000, -0.0002805400000000, 0.0012703900000000 ] - [ -0.0003258800000000, 0.0007728600000000, -0.0006146900000000 ] - [ 0.0002568000000000, -0.0004219700000000, -0.0012667400000000 ] - [ -0.0004233800000000, 0.0001683300000000, 0.0006409400000000 ] - [ -0.0011409800000000, 0.0000655300000000, 0.0003313500000000 ] - [ 0.0010704700000000, 0.0002683200000000, -0.0002323400000000 ] - [ 0.0001072300000000, 0.0050820600000000, 0.0115961800000000 ] - [ -0.0017715200000000, -0.0011232500000000, -0.0016767900000000 ] - [ -0.0016308000000000, -0.0005846800000000, 0.0003643500000000 ] - [ 0.0027694200000000, 0.0002599700000000, -0.0004760600000000 ] - [ -0.0003645900000000, -0.0003783400000000, 0.0007125000000000 ] - [ -0.0002664600000000, 0.0000662900000000, -0.0011753300000000 ] - [ 0.0046475800000000, 0.0000531300000000, 0.0025015300000000 ] - [ -0.0024219800000000, 0.0001850500000000, -0.0003673200000000 ] - [ -0.0007429500000000, -0.0002311000000000, -0.0016171200000000 ] - [ -0.0001088800000000, 0.0019874900000000, 0.0014296900000000 ] - [ -0.0000461600000000, -0.0000704100000000, 0.0016593900000000 ] - [ -0.0013958200000000, 0.0000001300000000, -0.0025562900000000 ] - [ 0.0012258800000000, 0.0004256500000000, -0.0008112200000000 ] - [ -0.0008410700000000, -0.0003761400000000, 0.0000446700000000 ] - [ -0.0033755700000000, -0.0002190600000000, 0.0047409900000000 ] - [ 0.0005017600000000, -0.0018089200000000, -0.0026422300000000 ] - [ 0.0035051700000000, 0.0006991000000000, -0.0019346500000000 ] - [ -0.0021567300000000, 0.0003084700000000, 0.0010376000000000 ] - [ -0.1707144000000000, -0.0187676400000000, 0.0870809000000000 ] - [ 0.0089159000000000, -0.0017997600000000, 0.0026319500000000 ] - [ 0.0048024300000000, -0.0008878100000000, -0.0010540800000000 ] - [ -0.0040605700000000, -0.0028024300000000, -0.0010137700000000 ] - [ -0.0001578200000000, 0.0009302600000000, 0.0007728600000000 ] - [ 0.0002080300000000, 0.0005971700000000, -0.0011943900000000 ] - [ -0.0001024600000000, 0.0004812600000000, -0.0008997000000000 ] - [ 0.0000552900000000, 0.0002250100000000, 0.0006324200000000 ] - [ -0.0040943300000000, -0.0081488700000000, -0.0029165600000000 ] - [ 0.0014345200000000, 0.0016856100000000, 0.0009370300000000 ] - [ 0.0042995900000000, -0.0005782900000000, -0.0016290300000000 ] - [ -0.0031580100000000, 0.0007601300000000, 0.0015544300000000 ] - [ 0.0006159700000000, -0.0003624300000000, 0.0038005700000000 ] - [ 0.0021269900000000, 0.0002896200000000, -0.0011337300000000 ] - [ -0.0030226200000000, -0.0006005800000000, -0.0042208100000000 ] - [ 0.0011235000000000, -0.0007040800000000, 0.0017112100000000 ] - [ -0.0014495500000000, 0.0000522400000000, -0.0025333500000000 ] - [ 0.0007875800000000, 0.0006067700000000, 0.0010206400000000 ] - [ -0.0008687500000000, -0.0006920800000000, 0.0010449000000000 ] - [ 0.0017324300000000, -0.0001809700000000, -0.0013273500000000 ] - [ 0.0056534600000000, 0.0010985400000000, -0.0030400300000000 ] - [ -0.0126856300000000, 0.0002350800000000, 0.0055024500000000 ] - [ -0.0062744400000000, 0.0049661300000000, -0.0020803600000000 ] - [ 0.0032207700000000, -0.0012236600000000, 0.0024357600000000 ] - [ 0.0000521900000000, -0.0000607300000000, -0.0006631100000000 ] - [ 0.0002301600000000, 0.0000666400000000, 0.0004991700000000 ] - [ 0.0002314700000000, 0.0002530100000000, -0.0016011000000000 ] - [ -0.0006209400000000, -0.0001362600000000, 0.0007629200000000 ] - [ -0.0033234700000000, 0.0097094400000000, 0.0005117400000000 ] - [ 0.0075951200000000, -0.0084649100000000, -0.0001612200000000 ] - [ -0.0115758400000000, 0.0020249500000000, 0.0034959100000000 ] - [ 0.0091614400000000, 0.0049418000000000, 0.0028515800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0033191100000000, -0.0011515600000000, -0.0017473300000000 ] - [ 0.0211865400000000, 0.0120625100000000, -0.0110412100000000 ] - [ -0.0039767200000000, 0.0138847100000000, -0.0039614400000000 ] - [ -0.0007045700000000, 0.0010825700000000, -0.0000213000000000 ] - [ -0.0005389200000000, -0.0006086900000000, -0.0001667400000000 ] - [ -0.0004169600000000, -0.0007363500000000, -0.0003047600000000 ] - [ 0.0002159500000000, -0.0002495300000000, 0.0000354500000000 ] - [ 0.0003378700000000, 0.0000524000000000, 0.0003124400000000 ] - [ 0.0028192800000000, -0.0047773500000000, -0.0002324900000000 ] - [ -0.0130907600000000, -0.0063743900000000, 0.0005515500000000 ] - [ 0.0028855000000000, 0.0080263300000000, 0.0010053100000000 ] - [ 0.0002971500000000, 0.0009729200000000, 0.0003124300000000 ] - [ 0.0001230600000000, -0.0004783100000000, 0.0002336300000000 ] - [ 0.0001760800000000, -0.0004804200000000, -0.0001282500000000 ] - [ -0.0001952700000000, 0.0001647000000000, -0.0001340000000000 ] - [ -0.0001257100000000, 0.0001972000000000, -0.0002527200000000 ] - [ -0.0076605200000000, -0.0751458500000000, 0.0178620300000000 ] - [ -0.0000049600000000, -0.0011183500000000, 0.0002551100000000 ] - [ 0.0008542000000000, 0.0067922800000000, -0.0007559500000000 ] - [ -0.0003763000000000, 0.0032990000000000, 0.0015857600000000 ] - [ -0.0003620500000000, -0.0006216600000000, -0.0000353000000000 ] - [ -0.0002441400000000, -0.0007054200000000, 0.0001006700000000 ] - [ 0.0005544500000000, 0.0000602200000000, -0.0002592800000000 ] - [ 0.0005854500000000, 0.0000581000000000, -0.0002161400000000 ] - [ 0.0002346700000000, 0.0007419600000000, 0.0013824800000000 ] - [ 0.0003377700000000, 0.0002081900000000, 0.0001392800000000 ] - [ -0.0004454000000000, 0.0006184900000000, 0.0006400500000000 ] - [ 0.0007212100000000, 0.0005806600000000, 0.0003939300000000 ] - [ -0.0004315000000000, 0.0024869800000000, -0.0059860100000000 ] - [ 0.0013310200000000, 0.0002324600000000, -0.0009138200000000 ] - [ 0.0026059000000000, -0.0003374500000000, -0.0031611700000000 ] - [ -0.0014779600000000, 0.0003174300000000, -0.0003294400000000 ] - [ 0.0000647800000000, 0.0009033400000000, -0.0006909600000000 ] - [ -0.0001790200000000, 0.0007118900000000, -0.0003608700000000 ] - [ -0.0000766500000000, -0.0009085400000000, -0.0011424300000000 ] - [ -0.0000597900000000, -0.0004420900000000, -0.0005282900000000 ] - [ -0.0002410100000000, 0.0005961100000000, -0.0003116800000000 ] - [ 0.0001285300000000, 0.0027402200000000, -0.0008251500000000 ] - [ -0.0048792100000000, -0.0042989100000000, 0.0083972000000000 ] - [ 0.0000796000000000, -0.0009711700000000, -0.0000266400000000 ] - [ -0.0004836600000000, -0.0004740500000000, -0.0001409200000000 ] - [ 0.0009290900000000, -0.0006191900000000, -0.0015432900000000 ] - [ 0.0003696700000000, 0.0001699600000000, -0.0010200000000000 ] - [ -0.0007091000000000, 0.0003843400000000, -0.0012611000000000 ] - [ 0.0018022600000000, 0.0007689500000000, 0.0066952100000000 ] - [ -0.0006883200000000, -0.0001640300000000, 0.0003001200000000 ] - [ 0.0011429600000000, 0.0006886800000000, 0.0010580400000000 ] - [ -0.0006308400000000, 0.0017399900000000, 0.0005797900000000 ] - [ 0.0004296200000000, -0.0009638800000000, -0.0006637500000000 ] - [ -0.0014089700000000, -0.0000193400000000, -0.0021397800000000 ] - [ 0.0002477500000000, 0.0006181100000000, -0.0016867900000000 ] - [ 0.0001627400000000, 0.0001498800000000, -0.0005869400000000 ] - [ -0.0029009400000000, -0.0014732400000000, 0.0038931100000000 ] - [ 0.0004726500000000, -0.0013828800000000, 0.0006322000000000 ] - [ -0.0010877400000000, 0.0035173000000000, 0.0027713700000000 ] - [ -0.0002645200000000, 0.0005628200000000, 0.0002991600000000 ] - [ 0.0231590600000000, 0.0444532300000000, -0.0150151100000000 ] - [ 0.0000166500000000, 0.0031616000000000, -0.0010988500000000 ] - [ 0.0000230500000000, -0.0014164300000000, -0.0001813600000000 ] - [ -0.0000135000000000, -0.0097488900000000, -0.0032202000000000 ] - [ -0.0000045600000000, 0.0012512500000000, 0.0005123600000000 ] - [ 0.0000495400000000, 0.0011217600000000, 0.0001161200000000 ] - [ -0.0000511300000000, -0.0002246300000000, 0.0005872600000000 ] - [ 0.0000445900000000, -0.0000293200000000, 0.0005317100000000 ] - [ 0.0008318400000000, -0.0035785900000000, -0.0036589500000000 ] - [ -0.0014341200000000, 0.0008893200000000, -0.0002255600000000 ] - [ 0.0027447000000000, -0.0012403300000000, -0.0007079300000000 ] - [ -0.0024752400000000, -0.0020289800000000, -0.0006347700000000 ] - [ 0.0017432900000000, 0.0003080000000000, 0.0045381500000000 ] - [ 0.0002848200000000, -0.0000090500000000, 0.0018166200000000 ] - [ -0.0013917200000000, -0.0006146400000000, 0.0024432500000000 ] - [ 0.0003009700000000, -0.0008321900000000, 0.0007185200000000 ] - [ -0.0003407500000000, 0.0012438200000000, -0.0017322100000000 ] - [ -0.0001617500000000, 0.0009445600000000, 0.0000115200000000 ] - [ -0.0001049500000000, -0.0014837200000000, -0.0008122900000000 ] - [ 0.0006491100000000, -0.0009695000000000, -0.0002254100000000 ] - [ -0.0000670600000000, 0.0023182400000000, 0.0001446100000000 ] - [ 0.0014304900000000, 0.0094394600000000, 0.0047731300000000 ] - [ -0.0000950600000000, -0.0085479600000000, 0.0034666500000000 ] - [ 0.0001181300000000, -0.0022643500000000, 0.0005699200000000 ] - [ 0.0001956100000000, -0.0000976100000000, 0.0006142200000000 ] - [ 0.0001491200000000, -0.0001116400000000, 0.0005295600000000 ] - [ -0.0000489600000000, 0.0002308700000000, -0.0003867100000000 ] - [ -0.0003604800000000, 0.0000816700000000, 0.0007797600000000 ] - [ -0.0115636900000000, -0.0094129800000000, -0.0008775800000000 ] - [ 0.0025011000000000, -0.0030381800000000, -0.0011461000000000 ] - [ -0.0071396500000000, 0.0175433000000000, 0.0037716900000000 ] - [ -0.0031046000000000, 0.0017738900000000, -0.0028623800000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0040941600000000, 0.0020307200000000, 0.0021483500000000 ] - [ -0.0206501200000000, -0.0112052700000000, 0.0114935100000000 ] - [ 0.0031635900000000, -0.0128971700000000, 0.0034956800000000 ] - [ 0.0000051200000000, -0.0002246700000000, -0.0003382900000000 ] - [ -0.0001808500000000, -0.0002571500000000, -0.0001983400000000 ] - [ -0.0003071200000000, -0.0001312100000000, -0.0000559000000000 ] - [ 0.0005078700000000, -0.0006181700000000, 0.0003277500000000 ] - [ 0.0003821500000000, -0.0009197500000000, 0.0000456300000000 ] - [ -0.0031699400000000, 0.0050767300000000, 0.0000704600000000 ] - [ 0.0129124700000000, 0.0065602000000000, -0.0007489300000000 ] - [ -0.0025796100000000, -0.0077510700000000, -0.0008260700000000 ] - [ 0.0000843500000000, -0.0006684100000000, -0.0001411600000000 ] - [ 0.0002332900000000, 0.0001773700000000, -0.0000696800000000 ] - [ 0.0001807200000000, 0.0001775200000000, 0.0002993100000000 ] - [ -0.0001641000000000, -0.0004727700000000, -0.0000365200000000 ] - [ -0.0002317200000000, -0.0005034100000000, 0.0000808100000000 ] - [ 0.0071305900000000, 0.0759483200000000, -0.0173638800000000 ] - [ 0.0009417400000000, 0.0017183500000000, -0.0004583800000000 ] - [ -0.0017015300000000, -0.0061971300000000, 0.0009547100000000 ] - [ -0.0005489600000000, -0.0027067300000000, -0.0013750800000000 ] - [ -0.0005409800000000, 0.0000301200000000, 0.0002356100000000 ] - [ -0.0006578900000000, 0.0001155900000000, 0.0000961800000000 ] - [ 0.0003473600000000, -0.0006549700000000, 0.0000559100000000 ] - [ 0.0003159400000000, -0.0006526700000000, 0.0000183900000000 ] - [ 0.0000351900000000, -0.0002228800000000, -0.0010891200000000 ] - [ -0.0000488100000000, 0.0003322900000000, 0.0001801400000000 ] - [ 0.0001659700000000, -0.0000805400000000, -0.0009683500000000 ] - [ -0.0010101200000000, -0.0000374400000000, -0.0007068300000000 ] - [ 0.0001277500000000, -0.0030386800000000, 0.0057357200000000 ] - [ -0.0016030100000000, -0.0007691300000000, 0.0005988100000000 ] - [ -0.0023147100000000, -0.0002118200000000, 0.0034364200000000 ] - [ 0.0017784700000000, -0.0008708700000000, 0.0006586600000000 ] - [ -0.0000374500000000, -0.0006679700000000, 0.0009175500000000 ] - [ 0.0002102200000000, -0.0004839100000000, 0.0005992100000000 ] - [ 0.0000433900000000, 0.0011529000000000, 0.0009129500000000 ] - [ 0.0000347100000000, 0.0006794100000000, 0.0002923300000000 ] - [ 0.0002211200000000, -0.0008330300000000, 0.0000717400000000 ] - [ -0.0001697000000000, -0.0029549800000000, 0.0005759800000000 ] - [ 0.0049789800000000, 0.0039310500000000, -0.0082836200000000 ] - [ -0.0000433600000000, 0.0007432900000000, 0.0002666800000000 ] - [ 0.0006196500000000, 0.0001497200000000, 0.0003788300000000 ] - [ -0.0008239300000000, 0.0002879000000000, 0.0017902700000000 ] - [ -0.0004925300000000, -0.0004972200000000, 0.0007824100000000 ] - [ 0.0005844500000000, -0.0007110000000000, 0.0010333900000000 ] - [ -0.0019496200000000, -0.0004186200000000, -0.0069688100000000 ] - [ 0.0005804600000000, 0.0004930400000000, -0.0005381600000000 ] - [ -0.0010110100000000, -0.0003643600000000, -0.0008022500000000 ] - [ 0.0007595700000000, -0.0014464800000000, -0.0003485500000000 ] - [ -0.0005272200000000, 0.0006858400000000, 0.0008256600000000 ] - [ 0.0013227400000000, -0.0002581700000000, 0.0023330900000000 ] - [ -0.0001558400000000, -0.0008980500000000, 0.0015240100000000 ] - [ -0.0000571100000000, -0.0004253700000000, 0.0004161700000000 ] - [ 0.0030277200000000, 0.0017714800000000, -0.0041213200000000 ] - [ -0.0003750200000000, 0.0016808300000000, -0.0007892200000000 ] - [ 0.0009580900000000, -0.0032543700000000, -0.0025619400000000 ] - [ 0.0001806800000000, -0.0002916000000000, -0.0001315100000000 ] - [ -0.0226106800000000, -0.0451197000000000, 0.0148820400000000 ] - [ -0.0000603200000000, -0.0042845400000000, 0.0012650500000000 ] - [ -0.0000538700000000, 0.0003402900000000, 0.0000284500000000 ] - [ 0.0000736200000000, 0.0086527100000000, 0.0030553400000000 ] - [ 0.0000212200000000, -0.0001658400000000, -0.0006777100000000 ] - [ -0.0000356200000000, -0.0000337500000000, -0.0002700600000000 ] - [ 0.0000380500000000, 0.0013209400000000, -0.0004128800000000 ] - [ -0.0000592500000000, 0.0011224500000000, -0.0003691600000000 ] - [ -0.0024900300000000, 0.0042612300000000, 0.0031725300000000 ] - [ -0.0002810900000000, -0.0003497500000000, -0.0002824600000000 ] - [ -0.0010831900000000, 0.0017895000000000, 0.0012315700000000 ] - [ 0.0041884800000000, 0.0025511800000000, 0.0011363200000000 ] - [ -0.0000522700000000, -0.0008592400000000, -0.0040655800000000 ] - [ 0.0014048000000000, -0.0005402700000000, -0.0013155900000000 ] - [ -0.0002837600000000, 0.0000825900000000, -0.0029243200000000 ] - [ -0.0020061200000000, 0.0002968100000000, -0.0012327800000000 ] - [ -0.0005054400000000, -0.0014764300000000, 0.0019275900000000 ] - [ -0.0007061900000000, -0.0011756600000000, 0.0001612100000000 ] - [ 0.0009750800000000, 0.0012680700000000, 0.0006202800000000 ] - [ 0.0002035800000000, 0.0007492300000000, 0.0000587000000000 ] - [ 0.0008999800000000, -0.0021046600000000, -0.0003148700000000 ] - [ -0.0005816100000000, -0.0091530900000000, -0.0050971100000000 ] - [ -0.0007236700000000, 0.0087510100000000, -0.0032952900000000 ] - [ -0.0010080200000000, 0.0025029500000000, -0.0004214200000000 ] - [ 0.0001127800000000, 0.0001674900000000, -0.0001597400000000 ] - [ 0.0001603300000000, 0.0001777900000000, -0.0000762400000000 ] - [ -0.0002632500000000, -0.0001702100000000, -0.0000499300000000 ] - [ 0.0000578400000000, -0.0000164600000000, -0.0012375600000000 ] - [ 0.0113384700000000, 0.0095379800000000, 0.0004452700000000 ] - [ -0.0028492700000000, 0.0030340600000000, 0.0006880900000000 ] - [ 0.0082447300000000, -0.0184213100000000, -0.0035063300000000 ] - [ 0.0033584400000000, -0.0018810000000000, 0.0033061800000000 ]- atom: 17 displacement: [ -0.0038283560719029, 0.0000000000000000, 0.0092381648495101 ] forces: - [ -0.0023110400000000, 0.0008475100000000, -0.0020624500000000 ] - [ -0.0147688400000000, -0.0159583900000000, 0.0016361000000000 ] - [ 0.0012617600000000, -0.0052472400000000, -0.0033266300000000 ] - [ -0.0019484500000000, -0.0000046100000000, -0.0011969500000000 ] - [ -0.0007942900000000, -0.0007729200000000, 0.0011055000000000 ] - [ 0.0004977600000000, -0.0007391900000000, 0.0009729900000000 ] - [ 0.0007685600000000, 0.0000014900000000, 0.0009961500000000 ] - [ 0.0004365900000000, 0.0002443000000000, 0.0013986500000000 ] - [ -0.0056857100000000, -0.0005663100000000, -0.0028542100000000 ] - [ -0.0151796800000000, 0.0037642000000000, -0.0084216600000000 ] - [ 0.0030680500000000, 0.0010403400000000, -0.0026106800000000 ] - [ -0.0015707600000000, -0.0006279900000000, -0.0006099400000000 ] - [ -0.0002341700000000, -0.0003433300000000, 0.0016214000000000 ] - [ 0.0006833100000000, -0.0002626000000000, 0.0011877800000000 ] - [ 0.0002150100000000, 0.0001830600000000, 0.0010399300000000 ] - [ -0.0003671300000000, -0.0001107200000000, 0.0010822600000000 ] - [ 0.1993195800000000, 0.0201968200000000, -0.1677985700000000 ] - [ -0.0027613400000000, 0.0008100300000000, -0.0005673400000000 ] - [ -0.0024482100000000, 0.0015744100000000, -0.0006382900000000 ] - [ 0.0009661800000000, -0.0010379200000000, -0.0025107900000000 ] - [ -0.0002166200000000, -0.0004588500000000, 0.0012886900000000 ] - [ -0.0008752500000000, -0.0003761700000000, 0.0015641300000000 ] - [ -0.0000898200000000, -0.0001122500000000, 0.0011567000000000 ] - [ 0.0007812400000000, -0.0001385800000000, 0.0007799700000000 ] - [ 0.0015212200000000, 0.0029534400000000, 0.0047564400000000 ] - [ -0.0002779400000000, -0.0000499500000000, 0.0007560100000000 ] - [ -0.0009156200000000, 0.0007168000000000, 0.0011831600000000 ] - [ 0.0013701400000000, 0.0007639900000000, 0.0018002000000000 ] - [ 0.0027370700000000, -0.0015419900000000, -0.0026135600000000 ] - [ -0.0023736200000000, -0.0009075000000000, 0.0002617200000000 ] - [ -0.0027803700000000, -0.0026209700000000, 0.0021427700000000 ] - [ 0.0028643900000000, -0.0013870000000000, -0.0021479600000000 ] - [ -0.0001181600000000, -0.0009379000000000, 0.0016828500000000 ] - [ 0.0003375000000000, -0.0004993200000000, 0.0007451600000000 ] - [ 0.0008389300000000, -0.0001112700000000, 0.0011746200000000 ] - [ -0.0007178400000000, 0.0001547700000000, 0.0012376900000000 ] - [ -0.0006606600000000, 0.0001979500000000, -0.0003465700000000 ] - [ 0.0009957600000000, 0.0007712500000000, -0.0010404000000000 ] - [ -0.0161472900000000, 0.0141305900000000, 0.0266721700000000 ] - [ -0.0006134700000000, -0.0006328200000000, -0.0010268600000000 ] - [ 0.0004683700000000, -0.0002040900000000, 0.0006748400000000 ] - [ -0.0010692900000000, -0.0008121200000000, 0.0027284700000000 ] - [ -0.0008162400000000, -0.0003010200000000, 0.0011047800000000 ] - [ 0.0007873400000000, -0.0003015100000000, 0.0002050300000000 ] - [ 0.0017850700000000, 0.0061312400000000, 0.0079504500000000 ] - [ -0.0011226100000000, 0.0003444400000000, -0.0006971500000000 ] - [ 0.0003545700000000, 0.0000907000000000, -0.0007798600000000 ] - [ -0.0024494100000000, 0.0042177700000000, 0.0006746400000000 ] - [ -0.0013936100000000, -0.0000733900000000, 0.0017569600000000 ] - [ 0.0024604500000000, -0.0008146600000000, 0.0034615000000000 ] - [ 0.0005352800000000, -0.0000126100000000, 0.0008356200000000 ] - [ -0.0008817900000000, -0.0003202600000000, 0.0006309800000000 ] - [ -0.0022656600000000, 0.0004791400000000, 0.0016918800000000 ] - [ 0.0031210100000000, 0.0017451500000000, -0.0018977300000000 ] - [ 0.0030787800000000, 0.0036559900000000, -0.0010356300000000 ] - [ -0.0010033900000000, 0.0001671700000000, 0.0002122900000000 ] - [ -0.1408085900000000, -0.0194668500000000, 0.1210436100000000 ] - [ 0.0031085000000000, -0.0008537000000000, 0.0018754600000000 ] - [ 0.0023052500000000, -0.0001625900000000, 0.0006970400000000 ] - [ -0.0028330900000000, 0.0013776800000000, 0.0029826300000000 ] - [ -0.0009388000000000, 0.0004384800000000, -0.0024630800000000 ] - [ 0.0009760300000000, 0.0008792900000000, -0.0026936000000000 ] - [ 0.0005220100000000, 0.0004101100000000, -0.0021117000000000 ] - [ -0.0005471800000000, 0.0004021800000000, -0.0013833200000000 ] - [ -0.0027974500000000, -0.0190497900000000, -0.0065959600000000 ] - [ -0.0003758400000000, 0.0009258300000000, -0.0001844200000000 ] - [ 0.0027903600000000, -0.0004773400000000, -0.0008363300000000 ] - [ -0.0046514300000000, -0.0023985300000000, -0.0006744100000000 ] - [ -0.0004750400000000, 0.0007241900000000, -0.0005123700000000 ] - [ 0.0025566700000000, 0.0003383000000000, -0.0010283300000000 ] - [ 0.0003225900000000, 0.0007862900000000, -0.0034529700000000 ] - [ -0.0022743400000000, 0.0008557400000000, -0.0001108700000000 ] - [ 0.0016208600000000, -0.0007395000000000, -0.0045155300000000 ] - [ -0.0015752800000000, -0.0007386100000000, -0.0013722900000000 ] - [ -0.0019936200000000, -0.0006775200000000, -0.0018617700000000 ] - [ 0.0026398000000000, -0.0003718900000000, -0.0026463200000000 ] - [ 0.0035574600000000, 0.0001627600000000, 0.0000885000000000 ] - [ -0.0072996000000000, 0.0018437200000000, 0.0092084300000000 ] - [ -0.0031249500000000, 0.0051706000000000, -0.0007314600000000 ] - [ 0.0008760200000000, -0.0003833700000000, 0.0019633600000000 ] - [ 0.0003695100000000, -0.0001903900000000, -0.0023965100000000 ] - [ -0.0000413800000000, -0.0002956700000000, -0.0019910600000000 ] - [ 0.0003873100000000, 0.0006069100000000, -0.0042615900000000 ] - [ -0.0003494600000000, 0.0004313900000000, -0.0031447800000000 ] - [ -0.0017530300000000, 0.0027349500000000, 0.0090613200000000 ] - [ 0.0036493600000000, -0.0036507400000000, 0.0033346100000000 ] - [ -0.0061788400000000, 0.0024864900000000, 0.0128823400000000 ] - [ 0.0059405500000000, 0.0019845000000000, 0.0058441300000000 ]- atom: 17 displacement: [ 0.0038283560719029, 0.0000000000000000, -0.0092381648495101 ] forces: - [ 0.0030254100000000, 0.0000264300000000, 0.0024055800000000 ] - [ 0.0154133200000000, 0.0167365900000000, -0.0013636300000000 ] - [ -0.0019727900000000, 0.0061020300000000, 0.0030186400000000 ] - [ 0.0012228600000000, 0.0008805400000000, 0.0008512800000000 ] - [ 0.0000671200000000, -0.0000984300000000, -0.0014560900000000 ] - [ -0.0012201300000000, -0.0001317000000000, -0.0013268700000000 ] - [ -0.0000441900000000, -0.0008762700000000, -0.0006426200000000 ] - [ 0.0002862700000000, -0.0011184200000000, -0.0010481000000000 ] - [ 0.0053144100000000, 0.0008642700000000, 0.0027164600000000 ] - [ 0.0148872400000000, -0.0035047300000000, 0.0081777900000000 ] - [ -0.0027022700000000, -0.0007348600000000, 0.0027767100000000 ] - [ 0.0019254100000000, 0.0009251000000000, 0.0007780600000000 ] - [ 0.0005909700000000, 0.0000434000000000, -0.0014547900000000 ] - [ -0.0003242100000000, -0.0000365200000000, -0.0010205400000000 ] - [ -0.0005715200000000, -0.0004803900000000, -0.0012063300000000 ] - [ 0.0000077200000000, -0.0001862300000000, -0.0012508000000000 ] - [ -0.1887852200000000, -0.0180435500000000, 0.1626557200000000 ] - [ 0.0036627000000000, -0.0002119400000000, 0.0003774900000000 ] - [ 0.0015321700000000, -0.0009840900000000, 0.0008303300000000 ] - [ -0.0018626600000000, 0.0016315900000000, 0.0027018100000000 ] - [ -0.0006798800000000, -0.0001379500000000, -0.0010945400000000 ] - [ -0.0000237100000000, -0.0002206800000000, -0.0013726400000000 ] - [ 0.0009860000000000, -0.0004818400000000, -0.0013486100000000 ] - [ 0.0001178500000000, -0.0004569400000000, -0.0009740900000000 ] - [ -0.0012266200000000, -0.0023851300000000, -0.0044153300000000 ] - [ 0.0005555600000000, 0.0005940500000000, -0.0004486500000000 ] - [ 0.0006384000000000, -0.0001728300000000, -0.0014925100000000 ] - [ -0.0016582100000000, -0.0002219500000000, -0.0021207200000000 ] - [ -0.0030101100000000, 0.0010019200000000, 0.0022723500000000 ] - [ 0.0020962400000000, 0.0003657200000000, -0.0005845600000000 ] - [ 0.0030909800000000, 0.0021078200000000, -0.0018295300000000 ] - [ -0.0026048400000000, 0.0008557400000000, 0.0024802400000000 ] - [ 0.0001415100000000, 0.0011471600000000, -0.0014862200000000 ] - [ -0.0003151900000000, 0.0007065800000000, -0.0005474200000000 ] - [ -0.0008587200000000, 0.0003104900000000, -0.0013756800000000 ] - [ 0.0006912900000000, 0.0000451200000000, -0.0014378300000000 ] - [ 0.0006370300000000, -0.0004050700000000, 0.0001579700000000 ] - [ -0.0010194000000000, -0.0009934400000000, 0.0008558100000000 ] - [ 0.0158616000000000, -0.0141593900000000, -0.0259556300000000 ] - [ 0.0006349200000000, 0.0004219300000000, 0.0012168300000000 ] - [ -0.0003445000000000, -0.0001189300000000, -0.0004361700000000 ] - [ 0.0012023900000000, 0.0004950200000000, -0.0025023000000000 ] - [ 0.0006885100000000, -0.0000193500000000, -0.0013436100000000 ] - [ -0.0009168400000000, -0.0000178800000000, -0.0004482700000000 ] - [ -0.0019328300000000, -0.0058957000000000, -0.0082603900000000 ] - [ 0.0009904900000000, -0.0000248400000000, 0.0004673900000000 ] - [ -0.0002256700000000, 0.0002289800000000, 0.0010046000000000 ] - [ 0.0025633000000000, -0.0038636000000000, -0.0004485700000000 ] - [ 0.0012986600000000, -0.0002034500000000, -0.0015840200000000 ] - [ -0.0025670000000000, 0.0005407900000000, -0.0033030400000000 ] - [ -0.0004345500000000, -0.0002618500000000, -0.0010132900000000 ] - [ 0.0009798800000000, 0.0000459100000000, -0.0008079500000000 ] - [ 0.0023623900000000, -0.0002143600000000, -0.0018413600000000 ] - [ -0.0030329500000000, -0.0014774500000000, 0.0017397000000000 ] - [ -0.0031562100000000, -0.0033606600000000, 0.0011863300000000 ] - [ 0.0009043400000000, 0.0001098800000000, -0.0000508100000000 ] - [ 0.1315800000000000, 0.0168924600000000, -0.1159582300000000 ] - [ -0.0031142000000000, -0.0002434400000000, -0.0017135400000000 ] - [ -0.0022714600000000, -0.0009382700000000, -0.0008607200000000 ] - [ 0.0028426000000000, -0.0024680500000000, -0.0031424900000000 ] - [ 0.0009608100000000, 0.0006617700000000, 0.0023157200000000 ] - [ -0.0009488000000000, 0.0002209500000000, 0.0025482600000000 ] - [ -0.0005501400000000, 0.0006931800000000, 0.0022585500000000 ] - [ 0.0005226200000000, 0.0006941100000000, 0.0015298800000000 ] - [ 0.0010772200000000, 0.0194704300000000, 0.0060936600000000 ] - [ -0.0013086100000000, -0.0003700800000000, -0.0002971200000000 ] - [ -0.0010993600000000, 0.0010302200000000, 0.0013181300000000 ] - [ 0.0063624700000000, 0.0029614200000000, 0.0011503600000000 ] - [ 0.0021598100000000, -0.0012701800000000, 0.0010167800000000 ] - [ -0.0008622400000000, -0.0008875700000000, 0.0015335900000000 ] - [ -0.0020150300000000, -0.0013478100000000, 0.0029656300000000 ] - [ 0.0005907900000000, -0.0014103600000000, -0.0003844400000000 ] - [ -0.0024905700000000, 0.0005168500000000, 0.0046942400000000 ] - [ 0.0007247600000000, 0.0005167600000000, 0.0015414600000000 ] - [ 0.0028383300000000, 0.0004406400000000, 0.0016950100000000 ] - [ -0.0017689500000000, 0.0001422200000000, 0.0024714600000000 ] - [ -0.0027082900000000, 0.0000692000000000, -0.0002795000000000 ] - [ 0.0079883800000000, -0.0015435900000000, -0.0097103000000000 ] - [ 0.0022627700000000, -0.0049598800000000, 0.0009255200000000 ] - [ -0.0017293500000000, 0.0006043200000000, -0.0017762900000000 ] - [ -0.0000607800000000, 0.0002663400000000, 0.0028510200000000 ] - [ 0.0003533300000000, 0.0003691300000000, 0.0024599700000000 ] - [ -0.0006976100000000, -0.0005388900000000, 0.0037904400000000 ] - [ 0.0000465500000000, -0.0003660200000000, 0.0026929700000000 ] - [ 0.0014770700000000, -0.0027621600000000, -0.0095401900000000 ] - [ -0.0039632000000000, 0.0036005600000000, -0.0037930500000000 ] - [ 0.0065511700000000, -0.0026645300000000, -0.0123767200000000 ] - [ -0.0056368200000000, -0.0020663800000000, -0.0053976600000000 ]- atom: 25 displacement: [ 0.0099999278170813, 0.0000000000000000, -0.0000379954360843 ] forces: - [ 0.0006816200000000, 0.0005980400000000, -0.0001741900000000 ] - [ 0.0002736600000000, 0.0010950800000000, 0.0004101700000000 ] - [ -0.0011817200000000, 0.0003394000000000, -0.0006076300000000 ] - [ 0.0005396800000000, 0.0002352400000000, 0.0000915300000000 ] - [ 0.0097073600000000, 0.0052503800000000, -0.0060594800000000 ] - [ 0.0074123600000000, -0.0063397000000000, 0.0059045000000000 ] - [ -0.0001957200000000, 0.0008660500000000, 0.0007153100000000 ] - [ 0.0014454100000000, -0.0009058700000000, 0.0000496800000000 ] - [ 0.0002992300000000, -0.0002987300000000, -0.0005450200000000 ] - [ -0.0004183400000000, 0.0008422300000000, 0.0008032000000000 ] - [ -0.0005759100000000, 0.0006258700000000, -0.0004501700000000 ] - [ 0.0008945200000000, -0.0000189200000000, 0.0000030100000000 ] - [ -0.0004795100000000, 0.0021540300000000, -0.0010434900000000 ] - [ 0.0011177000000000, -0.0018399200000000, 0.0014260600000000 ] - [ -0.0028401600000000, 0.0014952200000000, 0.0073210000000000 ] - [ 0.0020256200000000, -0.0001792600000000, -0.0010651200000000 ] - [ -0.0006744200000000, 0.0003961800000000, 0.0009186000000000 ] - [ 0.0011466100000000, 0.0004901700000000, -0.0002669000000000 ] - [ 0.0001826500000000, 0.0006040100000000, -0.0004880200000000 ] - [ -0.0014185500000000, -0.0005659300000000, 0.0013269500000000 ] - [ -0.0032250700000000, -0.0005451400000000, 0.0020749000000000 ] - [ 0.0022751300000000, 0.0011654100000000, -0.0011907800000000 ] - [ 0.0013332000000000, -0.0027685800000000, -0.0029144400000000 ] - [ 0.0021465500000000, 0.0013366400000000, 0.0035994700000000 ] - [ -0.0755025800000000, -0.0177314100000000, -0.0477947600000000 ] - [ 0.0041033300000000, 0.0006538400000000, 0.0002168500000000 ] - [ -0.0006357600000000, 0.0004185100000000, -0.0003263000000000 ] - [ 0.0002975100000000, 0.0003793200000000, 0.0004264300000000 ] - [ -0.0011817400000000, -0.0000777500000000, -0.0018649900000000 ] - [ 0.0007482600000000, -0.0001447200000000, 0.0004773700000000 ] - [ 0.0002991400000000, -0.0004691900000000, -0.0009783000000000 ] - [ -0.0001341000000000, -0.0002685800000000, 0.0013367200000000 ] - [ 0.0003135400000000, 0.0003695200000000, -0.0006153500000000 ] - [ 0.0000625900000000, -0.0006908800000000, 0.0016730400000000 ] - [ -0.0003407800000000, -0.0011567400000000, -0.0002425800000000 ] - [ 0.0007827400000000, 0.0016290500000000, 0.0004031400000000 ] - [ 0.0000309200000000, -0.0001053600000000, -0.0002189100000000 ] - [ -0.0001854500000000, -0.0001940300000000, 0.0001622600000000 ] - [ -0.0053151700000000, 0.0029990900000000, 0.0060367200000000 ] - [ 0.0009952200000000, -0.0004907800000000, -0.0001794600000000 ] - [ -0.0011749500000000, -0.0002485800000000, -0.0004437400000000 ] - [ 0.0006650900000000, -0.0001947900000000, 0.0000728300000000 ] - [ -0.0004965400000000, -0.0015430100000000, 0.0001936600000000 ] - [ 0.0021741200000000, 0.0041139300000000, -0.0018632200000000 ] - [ 0.0001538700000000, 0.0003111500000000, -0.0002463000000000 ] - [ -0.0002741000000000, 0.0001727200000000, 0.0001402700000000 ] - [ 0.0047175700000000, -0.0008098700000000, -0.0033634400000000 ] - [ 0.0086664600000000, -0.0081594800000000, 0.0229185500000000 ] - [ 0.0005549500000000, -0.0000512700000000, -0.0012562900000000 ] - [ -0.0000394300000000, -0.0002301000000000, 0.0010868800000000 ] - [ -0.0029998200000000, 0.0030739000000000, -0.0003276200000000 ] - [ 0.0019984300000000, -0.0009423500000000, -0.0001937500000000 ] - [ 0.0000325100000000, 0.0002401900000000, -0.0004730700000000 ] - [ 0.0000774600000000, 0.0001761100000000, 0.0004483500000000 ] - [ -0.0048529900000000, 0.0070823000000000, -0.0183370000000000 ] - [ 0.0035019500000000, 0.0002502400000000, 0.0002230000000000 ] - [ 0.0000416500000000, -0.0019802500000000, -0.0023594700000000 ] - [ -0.0010329300000000, -0.0004785800000000, 0.0007511700000000 ] - [ -0.0008817600000000, -0.0002181700000000, 0.0002162900000000 ] - [ 0.0016604000000000, -0.0006767900000000, -0.0003460900000000 ] - [ 0.0006205600000000, 0.0073972700000000, -0.0036386000000000 ] - [ -0.0024531700000000, -0.0065711400000000, 0.0012276900000000 ] - [ -0.0019813800000000, 0.0010429400000000, 0.0013621600000000 ] - [ 0.0001979900000000, -0.0007825400000000, -0.0026168600000000 ] - [ 0.0479338900000000, 0.0014510100000000, 0.0391672400000000 ] - [ -0.0059395200000000, 0.0010372700000000, -0.0004219600000000 ] - [ 0.0010767700000000, 0.0001942600000000, 0.0004663500000000 ] - [ 0.0006050800000000, 0.0002254500000000, -0.0002996000000000 ] - [ 0.0023191400000000, -0.0008778300000000, 0.0025535900000000 ] - [ -0.0003941100000000, -0.0011316100000000, -0.0005826600000000 ] - [ -0.0013981900000000, -0.0003966100000000, 0.0009251800000000 ] - [ -0.0002489900000000, 0.0009610900000000, -0.0017468300000000 ] - [ -0.0007742400000000, -0.0005441200000000, 0.0013833300000000 ] - [ -0.0001280500000000, -0.0004826100000000, -0.0014550600000000 ] - [ 0.0126641400000000, 0.0006935900000000, -0.0024277500000000 ] - [ -0.0144064700000000, 0.0065003600000000, 0.0017962500000000 ] - [ 0.0003332200000000, -0.0000889300000000, 0.0004374000000000 ] - [ 0.0005066600000000, 0.0002808600000000, -0.0006987400000000 ] - [ 0.0060798600000000, 0.0015982000000000, -0.0002386500000000 ] - [ -0.0037689000000000, -0.0003814000000000, 0.0015241300000000 ] - [ 0.0046141800000000, -0.0000278200000000, 0.0000450300000000 ] - [ -0.0036738600000000, -0.0007569500000000, -0.0005386500000000 ] - [ 0.0108906000000000, 0.0014433500000000, 0.0000828800000000 ] - [ -0.0061403300000000, 0.0003327400000000, -0.0016038900000000 ] - [ -0.0010095400000000, 0.0010326000000000, 0.0037914900000000 ] - [ -0.0029129500000000, -0.0005848600000000, -0.0044594500000000 ] - [ 0.0004415200000000, -0.0005884300000000, 0.0012326800000000 ] - [ -0.0003554100000000, -0.0000152600000000, -0.0004587000000000 ]- atom: 25 displacement: [ -0.0099999278170813, 0.0000000000000000, 0.0000379954360843 ] forces: - [ 0.0000379900000000, 0.0002744500000000, 0.0005267500000000 ] - [ 0.0004574100000000, -0.0002034900000000, -0.0000374100000000 ] - [ 0.0004605300000000, 0.0005282100000000, 0.0002527200000000 ] - [ -0.0012618000000000, 0.0006309300000000, -0.0004533900000000 ] - [ -0.0105409400000000, -0.0061932300000000, 0.0057873900000000 ] - [ -0.0080506400000000, 0.0053772700000000, -0.0061807700000000 ] - [ 0.0009084900000000, -0.0017293600000000, -0.0003509900000000 ] - [ -0.0007165400000000, 0.0000423000000000, 0.0003163000000000 ] - [ -0.0006602800000000, 0.0006040900000000, 0.0003734000000000 ] - [ 0.0000794300000000, -0.0005426900000000, -0.0009460000000000 ] - [ 0.0009298400000000, -0.0003286600000000, 0.0006224900000000 ] - [ -0.0005358600000000, 0.0003215100000000, 0.0001599400000000 ] - [ 0.0008507800000000, -0.0024535300000000, 0.0012133600000000 ] - [ -0.0007671000000000, 0.0015228900000000, -0.0012462500000000 ] - [ 0.0024050600000000, -0.0018139900000000, -0.0074556400000000 ] - [ -0.0023699200000000, -0.0001163500000000, 0.0009025900000000 ] - [ 0.0015600100000000, 0.0002031500000000, -0.0010930600000000 ] - [ -0.0002418800000000, 0.0001006700000000, 0.0000642200000000 ] - [ -0.0010858200000000, -0.0000168900000000, 0.0006794000000000 ] - [ 0.0005261800000000, 0.0011580300000000, -0.0011299000000000 ] - [ 0.0022913700000000, -0.0000272900000000, -0.0018827400000000 ] - [ -0.0031685800000000, -0.0017718200000000, 0.0013948700000000 ] - [ -0.0004263600000000, 0.0021792100000000, 0.0027270200000000 ] - [ -0.0012466600000000, -0.0019134200000000, -0.0037443900000000 ] - [ 0.0742179300000000, 0.0175926600000000, 0.0476511000000000 ] - [ -0.0038067600000000, -0.0001174600000000, 0.0000907900000000 ] - [ 0.0003522200000000, 0.0001250000000000, 0.0000166100000000 ] - [ -0.0005807200000000, 0.0001647200000000, -0.0007303900000000 ] - [ 0.0008852100000000, -0.0004611100000000, 0.0015356700000000 ] - [ -0.0010218100000000, -0.0003923600000000, -0.0007939900000000 ] - [ -0.0000153400000000, -0.0000721800000000, 0.0012932200000000 ] - [ 0.0004172300000000, -0.0002746000000000, -0.0010188000000000 ] - [ -0.0002809400000000, -0.0001387200000000, 0.0008561100000000 ] - [ -0.0000408200000000, 0.0009205200000000, -0.0014289400000000 ] - [ 0.0002955100000000, 0.0013934500000000, 0.0000063000000000 ] - [ -0.0008035800000000, -0.0013957100000000, -0.0006401400000000 ] - [ -0.0000600300000000, -0.0001307300000000, -0.0000150300000000 ] - [ 0.0001584900000000, -0.0000456000000000, -0.0003911200000000 ] - [ 0.0054012700000000, -0.0031516600000000, -0.0056344100000000 ] - [ -0.0009626300000000, 0.0002451700000000, 0.0004042800000000 ] - [ 0.0012916500000000, -0.0000763400000000, 0.0006766600000000 ] - [ -0.0005272200000000, -0.0001294500000000, 0.0001776600000000 ] - [ 0.0003797000000000, 0.0012184900000000, -0.0004376800000000 ] - [ -0.0022860300000000, -0.0043664100000000, 0.0015976800000000 ] - [ -0.0002836800000000, 0.0000138300000000, 0.0000115300000000 ] - [ 0.0001409500000000, 0.0001511100000000, -0.0003785100000000 ] - [ -0.0045613500000000, 0.0011218600000000, 0.0035510000000000 ] - [ -0.0085536800000000, 0.0085686900000000, -0.0228790200000000 ] - [ -0.0006321600000000, -0.0002203900000000, 0.0014080000000000 ] - [ -0.0000675100000000, -0.0000468300000000, -0.0008971100000000 ] - [ 0.0030596700000000, -0.0033212200000000, 0.0001465400000000 ] - [ -0.0018866000000000, 0.0006736900000000, 0.0000156500000000 ] - [ 0.0000675300000000, 0.0000368700000000, 0.0003005000000000 ] - [ 0.0000267300000000, 0.0000988900000000, -0.0006182100000000 ] - [ 0.0046144000000000, -0.0068173500000000, 0.0185515400000000 ] - [ -0.0035863700000000, 0.0000232100000000, -0.0000593100000000 ] - [ -0.0000641900000000, 0.0008521500000000, 0.0024453200000000 ] - [ 0.0010212100000000, -0.0006113400000000, -0.0005673000000000 ] - [ 0.0008968500000000, -0.0008725000000000, -0.0003798600000000 ] - [ -0.0016457000000000, -0.0004113200000000, 0.0001726600000000 ] - [ -0.0005479800000000, -0.0062535900000000, 0.0034589300000000 ] - [ 0.0024461600000000, 0.0076830400000000, -0.0013862200000000 ] - [ 0.0019513200000000, 0.0000517100000000, -0.0012037000000000 ] - [ -0.0001758700000000, 0.0018742400000000, 0.0027596800000000 ] - [ -0.0490128000000000, -0.0008838100000000, -0.0393324500000000 ] - [ 0.0042164800000000, -0.0004841200000000, -0.0000642900000000 ] - [ 0.0006166500000000, 0.0003451300000000, 0.0000353100000000 ] - [ 0.0010889700000000, 0.0003134100000000, 0.0007853000000000 ] - [ -0.0005900200000000, 0.0003093500000000, -0.0020298100000000 ] - [ 0.0020711700000000, 0.0005832600000000, 0.0010931400000000 ] - [ -0.0003083900000000, -0.0001348600000000, -0.0014337700000000 ] - [ -0.0014306600000000, -0.0014947300000000, 0.0012359200000000 ] - [ -0.0000938500000000, 0.0003117400000000, -0.0012145500000000 ] - [ -0.0007165200000000, 0.0002525800000000, 0.0016241200000000 ] - [ -0.0107729700000000, -0.0003776500000000, 0.0022133100000000 ] - [ 0.0152860700000000, -0.0067569400000000, -0.0019628800000000 ] - [ 0.0005290900000000, 0.0003147800000000, -0.0006073700000000 ] - [ 0.0003497800000000, -0.0000558200000000, 0.0004996000000000 ] - [ -0.0069425300000000, -0.0013413700000000, 0.0004164600000000 ] - [ 0.0028917700000000, 0.0005960900000000, -0.0013151800000000 ] - [ -0.0042993000000000, 0.0000992900000000, 0.0004056500000000 ] - [ 0.0039655900000000, 0.0008150200000000, 0.0009773200000000 ] - [ -0.0111732000000000, -0.0013663700000000, -0.0004928200000000 ] - [ 0.0058067200000000, -0.0002614300000000, 0.0011226700000000 ] - [ 0.0007385600000000, -0.0010962200000000, -0.0042585400000000 ] - [ 0.0025887200000000, 0.0005229400000000, 0.0040034700000000 ] - [ -0.0001226200000000, 0.0005123900000000, -0.0007770900000000 ] - [ 0.0006455400000000, -0.0000570500000000, 0.0009088400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003086500000000, 0.0006841000000000, -0.0000606900000000 ] - [ 0.0007269500000000, 0.0034129500000000, 0.0007394400000000 ] - [ -0.0007429600000000, -0.0001003000000000, -0.0008249600000000 ] - [ -0.0005223900000000, 0.0001752400000000, -0.0005842100000000 ] - [ 0.0050387200000000, -0.0020318000000000, -0.0009571600000000 ] - [ -0.0033274500000000, -0.0046617500000000, 0.0002633200000000 ] - [ 0.0004610600000000, 0.0011252200000000, 0.0006378400000000 ] - [ 0.0003444100000000, 0.0002243500000000, 0.0004542200000000 ] - [ -0.0000067900000000, -0.0003273500000000, -0.0003448500000000 ] - [ 0.0014329200000000, -0.0002992800000000, 0.0019759100000000 ] - [ 0.0001956800000000, 0.0006686200000000, -0.0005488900000000 ] - [ 0.0003550200000000, 0.0003638500000000, -0.0001631400000000 ] - [ 0.0009455400000000, 0.0018004600000000, -0.0006276800000000 ] - [ -0.0007679100000000, 0.0001591700000000, 0.0000513600000000 ] - [ 0.0016105100000000, -0.0000886700000000, 0.0081397300000000 ] - [ -0.0002430500000000, -0.0005997000000000, 0.0002234000000000 ] - [ -0.0009218400000000, 0.0007785200000000, 0.0022285000000000 ] - [ 0.0006756300000000, 0.0002334500000000, -0.0003490900000000 ] - [ -0.0001583400000000, 0.0006433500000000, -0.0002664500000000 ] - [ -0.0005553100000000, 0.0006007100000000, -0.0004820400000000 ] - [ -0.0033551700000000, 0.0024599600000000, -0.0024738000000000 ] - [ 0.0004848200000000, 0.0002079600000000, -0.0002089400000000 ] - [ -0.0009024300000000, -0.0003595500000000, 0.0019145500000000 ] - [ 0.0013569300000000, 0.0002993600000000, 0.0014973600000000 ] - [ -0.0177946200000000, -0.0492004700000000, -0.0014845200000000 ] - [ 0.0005308800000000, -0.0005234200000000, 0.0008827300000000 ] - [ -0.0002869800000000, 0.0007778000000000, -0.0000770500000000 ] - [ -0.0002453900000000, 0.0005970200000000, -0.0000155000000000 ] - [ 0.0000478600000000, 0.0009946400000000, -0.0008772700000000 ] - [ -0.0000174900000000, 0.0002952800000000, -0.0003352900000000 ] - [ 0.0003327900000000, -0.0008575300000000, -0.0011929800000000 ] - [ 0.0001356400000000, -0.0007984700000000, -0.0002390400000000 ] - [ 0.0000062300000000, -0.0003739400000000, 0.0004233200000000 ] - [ 0.0003661300000000, -0.0005066300000000, 0.0012902600000000 ] - [ -0.0011215600000000, 0.0033339900000000, 0.0006417800000000 ] - [ 0.0005534000000000, 0.0016294800000000, 0.0005036200000000 ] - [ -0.0000081900000000, 0.0001522500000000, -0.0003844400000000 ] - [ -0.0000185500000000, 0.0001989500000000, -0.0004155300000000 ] - [ 0.0034179700000000, 0.0075343300000000, 0.0230912400000000 ] - [ 0.0001590100000000, -0.0006596700000000, -0.0000232800000000 ] - [ -0.0009720100000000, -0.0004167700000000, -0.0011767700000000 ] - [ 0.0004109900000000, -0.0003671200000000, -0.0001067300000000 ] - [ -0.0014055000000000, 0.0015728700000000, -0.0001858200000000 ] - [ 0.0006692200000000, 0.0021848900000000, -0.0005120900000000 ] - [ 0.0000504000000000, 0.0004159600000000, -0.0002124900000000 ] - [ 0.0000496000000000, 0.0003341900000000, -0.0003053100000000 ] - [ 0.0018055900000000, -0.0006907700000000, -0.0014739300000000 ] - [ -0.0067595500000000, -0.0049574500000000, -0.0084905000000000 ] - [ 0.0019855300000000, 0.0003345400000000, -0.0026202900000000 ] - [ -0.0001659700000000, -0.0004659800000000, 0.0000429900000000 ] - [ 0.0014200500000000, 0.0050138900000000, -0.0004557200000000 ] - [ 0.0000708300000000, 0.0003923600000000, 0.0000665900000000 ] - [ 0.0000214000000000, 0.0002999400000000, -0.0003519800000000 ] - [ -0.0000286500000000, 0.0003532900000000, -0.0001653500000000 ] - [ 0.0056114300000000, -0.0049042600000000, -0.0161623300000000 ] - [ -0.0000321100000000, 0.0000479500000000, 0.0000240400000000 ] - [ -0.0010627200000000, -0.0042352500000000, -0.0073691600000000 ] - [ -0.0002436900000000, -0.0005210700000000, 0.0003712000000000 ] - [ -0.0002692400000000, -0.0005572400000000, 0.0004507500000000 ] - [ 0.0001028800000000, -0.0005933200000000, 0.0006854200000000 ] - [ 0.0058411400000000, -0.0006020800000000, 0.0008600200000000 ] - [ -0.0025231900000000, -0.0017558500000000, 0.0002267400000000 ] - [ 0.0007631800000000, 0.0005854600000000, -0.0005762700000000 ] - [ -0.0009577200000000, -0.0009248900000000, -0.0012632700000000 ] - [ 0.0001930400000000, 0.0369643500000000, 0.0026957900000000 ] - [ -0.0020045000000000, 0.0016271200000000, -0.0007870400000000 ] - [ 0.0008387200000000, -0.0001122600000000, 0.0004660800000000 ] - [ 0.0008174500000000, -0.0002358200000000, 0.0002523100000000 ] - [ -0.0001907200000000, -0.0049215700000000, 0.0008860100000000 ] - [ 0.0013775400000000, -0.0024443000000000, 0.0000489100000000 ] - [ -0.0017334200000000, 0.0009741900000000, 0.0006857400000000 ] - [ -0.0001666000000000, 0.0012352200000000, -0.0002715900000000 ] - [ -0.0009213000000000, -0.0010771700000000, 0.0007617600000000 ] - [ 0.0002997700000000, -0.0012203700000000, 0.0010427300000000 ] - [ 0.0030719500000000, 0.0106118100000000, -0.0028783500000000 ] - [ 0.0046692800000000, 0.0027165400000000, -0.0022666400000000 ] - [ 0.0004421200000000, 0.0003069100000000, 0.0012033900000000 ] - [ 0.0004329200000000, 0.0007433100000000, -0.0003771500000000 ] - [ 0.0009601700000000, -0.0058347100000000, 0.0046519200000000 ] - [ -0.0011469900000000, -0.0007295500000000, 0.0007076100000000 ] - [ 0.0011851000000000, -0.0054338900000000, -0.0023373900000000 ] - [ -0.0005130500000000, -0.0013230300000000, -0.0004689100000000 ] - [ 0.0007275000000000, 0.0076118500000000, -0.0016727800000000 ] - [ -0.0006562300000000, 0.0012100700000000, -0.0005880600000000 ] - [ -0.0007311000000000, 0.0015185700000000, 0.0024545400000000 ] - [ -0.0000043400000000, 0.0012253700000000, 0.0014365700000000 ] - [ 0.0006968800000000, -0.0011277100000000, 0.0006871700000000 ] - [ -0.0005164500000000, -0.0007907000000000, 0.0003458500000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004173500000000, 0.0001916600000000, 0.0004181700000000 ] - [ 0.0000003500000000, -0.0025393900000000, -0.0003778600000000 ] - [ 0.0000185300000000, 0.0009772900000000, 0.0004725800000000 ] - [ -0.0002014600000000, 0.0007008200000000, 0.0002275000000000 ] - [ -0.0057599900000000, 0.0011914800000000, 0.0005864900000000 ] - [ 0.0026016200000000, 0.0037912400000000, -0.0006187000000000 ] - [ 0.0002674400000000, -0.0020020400000000, -0.0002744900000000 ] - [ 0.0003795400000000, -0.0011004300000000, -0.0000930100000000 ] - [ -0.0003482500000000, 0.0006291700000000, 0.0001840300000000 ] - [ -0.0017883400000000, 0.0006019000000000, -0.0021363000000000 ] - [ 0.0001558400000000, -0.0003778100000000, 0.0007155300000000 ] - [ -0.0000015000000000, -0.0000666600000000, 0.0003244500000000 ] - [ -0.0006060600000000, -0.0020977500000000, 0.0007949400000000 ] - [ 0.0011283500000000, -0.0004585100000000, 0.0001128300000000 ] - [ -0.0019455600000000, -0.0002175000000000, -0.0082465900000000 ] - [ -0.0001090000000000, 0.0002994800000000, -0.0003863800000000 ] - [ 0.0018211900000000, -0.0001816400000000, -0.0024202700000000 ] - [ 0.0002260900000000, 0.0003620700000000, 0.0001572500000000 ] - [ -0.0007435600000000, -0.0000519100000000, 0.0004580800000000 ] - [ -0.0003425800000000, -0.0000127600000000, 0.0006795000000000 ] - [ 0.0024746400000000, -0.0030702400000000, 0.0027013200000000 ] - [ -0.0013825000000000, -0.0007981100000000, 0.0004004200000000 ] - [ 0.0017855300000000, -0.0002373700000000, -0.0020952300000000 ] - [ -0.0004547000000000, -0.0008924400000000, -0.0016845200000000 ] - [ 0.0175356000000000, 0.0496698000000000, 0.0006041500000000 ] - [ -0.0002460200000000, 0.0010610000000000, -0.0005815200000000 ] - [ 0.0000042700000000, -0.0002373900000000, -0.0002195500000000 ] - [ -0.0000321000000000, -0.0000581700000000, -0.0002862300000000 ] - [ -0.0003301400000000, -0.0015366000000000, 0.0005536300000000 ] - [ -0.0002635400000000, -0.0008352100000000, 0.0000237700000000 ] - [ -0.0000542800000000, 0.0003189500000000, 0.0015063900000000 ] - [ 0.0001453800000000, 0.0002598900000000, 0.0005529200000000 ] - [ 0.0000170600000000, 0.0005832200000000, -0.0002113000000000 ] - [ -0.0003385100000000, 0.0007155300000000, -0.0010744200000000 ] - [ 0.0011097600000000, -0.0031243500000000, -0.0008546000000000 ] - [ -0.0005813400000000, -0.0014148300000000, -0.0007127600000000 ] - [ -0.0000165800000000, -0.0003654100000000, 0.0001819900000000 ] - [ -0.0000054800000000, -0.0004158400000000, 0.0002133400000000 ] - [ -0.0034163400000000, -0.0077852000000000, -0.0230293600000000 ] - [ -0.0001335200000000, 0.0004472800000000, 0.0002274500000000 ] - [ 0.0010956100000000, 0.0000955300000000, 0.0014156000000000 ] - [ -0.0002833700000000, 0.0000470500000000, 0.0003459900000000 ] - [ 0.0012674500000000, -0.0018894300000000, -0.0000612600000000 ] - [ -0.0007912500000000, -0.0025116500000000, 0.0002710300000000 ] - [ -0.0001793200000000, -0.0000968700000000, -0.0000209200000000 ] - [ -0.0001793200000000, -0.0000144300000000, 0.0000745100000000 ] - [ -0.0016775500000000, 0.0010067200000000, 0.0016910800000000 ] - [ 0.0069002200000000, 0.0052062000000000, 0.0087546200000000 ] - [ -0.0020807200000000, -0.0006057900000000, 0.0027874400000000 ] - [ 0.0000686400000000, 0.0001939100000000, 0.0001322500000000 ] - [ -0.0012929300000000, -0.0052410800000000, 0.0002676200000000 ] - [ 0.0000291900000000, -0.0006672100000000, -0.0002404300000000 ] - [ 0.0000764000000000, -0.0000265400000000, 0.0001846000000000 ] - [ 0.0001300300000000, -0.0000818100000000, -0.0000014600000000 ] - [ -0.0057049900000000, 0.0050579000000000, 0.0163636200000000 ] - [ -0.0000588200000000, 0.0002232400000000, 0.0001428600000000 ] - [ 0.0010410400000000, 0.0031320700000000, 0.0074922000000000 ] - [ 0.0002269400000000, -0.0005742000000000, -0.0002108800000000 ] - [ 0.0002881200000000, -0.0005334400000000, -0.0006106100000000 ] - [ -0.0000832400000000, -0.0005002100000000, -0.0008521500000000 ] - [ -0.0058582900000000, 0.0016922200000000, -0.0010237900000000 ] - [ 0.0025564400000000, 0.0028278900000000, -0.0003823200000000 ] - [ -0.0007781100000000, 0.0005150000000000, 0.0007277500000000 ] - [ 0.0009342400000000, 0.0020209600000000, 0.0014138800000000 ] - [ -0.0016390100000000, -0.0362798700000000, -0.0019659800000000 ] - [ 0.0003033500000000, -0.0010834800000000, 0.0002970500000000 ] - [ 0.0008500100000000, 0.0006605600000000, 0.0000278600000000 ] - [ 0.0008701200000000, 0.0007849200000000, 0.0002363200000000 ] - [ 0.0018586800000000, 0.0043748700000000, -0.0003641000000000 ] - [ 0.0003216100000000, 0.0018941300000000, 0.0004589900000000 ] - [ 0.0000414800000000, -0.0015141800000000, -0.0011877400000000 ] - [ -0.0015214600000000, -0.0017810600000000, -0.0002361900000000 ] - [ 0.0000607300000000, 0.0008493700000000, -0.0005841400000000 ] - [ -0.0011685300000000, 0.0009967500000000, -0.0008742400000000 ] - [ -0.0019545200000000, -0.0107445000000000, 0.0027263500000000 ] - [ -0.0038240000000000, -0.0029084400000000, 0.0021153700000000 ] - [ 0.0004240500000000, -0.0000863200000000, -0.0013901100000000 ] - [ 0.0004264500000000, -0.0005262700000000, 0.0001839100000000 ] - [ -0.0018123300000000, 0.0060767900000000, -0.0044096300000000 ] - [ 0.0002776100000000, 0.0009545600000000, -0.0005175000000000 ] - [ -0.0008617600000000, 0.0054917600000000, 0.0027507800000000 ] - [ 0.0008163400000000, 0.0013921600000000, 0.0009158200000000 ] - [ -0.0010087000000000, -0.0074909800000000, 0.0011996600000000 ] - [ 0.0003428900000000, -0.0011422300000000, 0.0001411000000000 ] - [ 0.0004484500000000, -0.0015937000000000, -0.0029249900000000 ] - [ -0.0003149500000000, -0.0013047500000000, -0.0019077800000000 ] - [ -0.0003856800000000, 0.0010572800000000, -0.0002397900000000 ] - [ 0.0008155500000000, 0.0007233700000000, 0.0000940800000000 ]- atom: 25 displacement: [ -0.0038283560719029, 0.0000000000000000, 0.0092381648495101 ] forces: - [ -0.0001034900000000, 0.0004087000000000, 0.0001781400000000 ] - [ 0.0018756400000000, 0.0018611200000000, 0.0023830800000000 ] - [ 0.0005170200000000, 0.0011116300000000, 0.0025117800000000 ] - [ 0.0001226900000000, 0.0011864900000000, 0.0014045300000000 ] - [ -0.0123368800000000, -0.0034662700000000, -0.0021375400000000 ] - [ 0.0011536000000000, 0.0022928600000000, -0.0041019400000000 ] - [ 0.0018045900000000, 0.0013422900000000, 0.0010179100000000 ] - [ -0.0011361200000000, 0.0001396200000000, 0.0005777500000000 ] - [ -0.0018038000000000, 0.0012532200000000, 0.0010159200000000 ] - [ 0.0017245900000000, 0.0000258800000000, 0.0035088400000000 ] - [ 0.0001027200000000, -0.0013537400000000, 0.0024531200000000 ] - [ 0.0004523000000000, 0.0001492800000000, 0.0007448100000000 ] - [ -0.0019151400000000, -0.0036249000000000, -0.0002777200000000 ] - [ 0.0011833900000000, -0.0002105800000000, -0.0008629700000000 ] - [ 0.0121252300000000, 0.0113216800000000, 0.0060059800000000 ] - [ -0.0016299600000000, -0.0001009200000000, -0.0006031300000000 ] - [ -0.0006369400000000, 0.0014013400000000, 0.0034827000000000 ] - [ 0.0007780600000000, 0.0002035400000000, 0.0008204700000000 ] - [ -0.0020900900000000, -0.0005598300000000, 0.0010788600000000 ] - [ 0.0002800000000000, 0.0001174300000000, 0.0017413000000000 ] - [ 0.0060420400000000, -0.0056349700000000, -0.0008904200000000 ] - [ -0.0025213000000000, -0.0015588000000000, 0.0005888600000000 ] - [ -0.0038707700000000, 0.0037137000000000, 0.0013175900000000 ] - [ 0.0019972200000000, -0.0004694600000000, -0.0029219200000000 ] - [ -0.0146856200000000, 0.0063577000000000, -0.3155755900000000 ] - [ -0.0013273500000000, 0.0007998300000000, -0.0024600800000000 ] - [ -0.0001021700000000, 0.0001434900000000, 0.0016949300000000 ] - [ 0.0002298700000000, 0.0001015800000000, 0.0011320600000000 ] - [ -0.0013222700000000, -0.0010015000000000, -0.0010374300000000 ] - [ 0.0001014500000000, -0.0004834400000000, -0.0015508300000000 ] - [ -0.0009515100000000, 0.0010567400000000, 0.0054780000000000 ] - [ 0.0013531700000000, 0.0000989900000000, 0.0035125300000000 ] - [ -0.0009126300000000, 0.0000108300000000, 0.0016422000000000 ] - [ 0.0017031200000000, -0.0001600800000000, 0.0020572400000000 ] - [ -0.0000793700000000, -0.0006046900000000, -0.0033564800000000 ] - [ -0.0003927400000000, -0.0020451100000000, -0.0029621300000000 ] - [ -0.0000368300000000, -0.0008356900000000, 0.0016931100000000 ] - [ 0.0002638200000000, -0.0011181300000000, 0.0019137700000000 ] - [ 0.0064046400000000, 0.0129075100000000, 0.0182257300000000 ] - [ -0.0004708900000000, 0.0000878500000000, -0.0004220700000000 ] - [ 0.0034972400000000, -0.0005827600000000, 0.0053843600000000 ] - [ -0.0019183000000000, -0.0001757500000000, 0.0018402400000000 ] - [ 0.0012397200000000, -0.0004371000000000, -0.0034716300000000 ] - [ -0.0011335700000000, -0.0015782800000000, -0.0011276100000000 ] - [ -0.0006263800000000, 0.0000285800000000, 0.0018660000000000 ] - [ 0.0000307800000000, -0.0001289800000000, 0.0015065800000000 ] - [ -0.0030451900000000, 0.0003210600000000, -0.0008116800000000 ] - [ 0.0131027400000000, -0.0035113200000000, 0.0036101300000000 ] - [ -0.0069307900000000, -0.0012644700000000, 0.0092990000000000 ] - [ 0.0011116300000000, -0.0001865500000000, 0.0011947900000000 ] - [ 0.0010144900000000, -0.0017619500000000, -0.0039644700000000 ] - [ -0.0001922700000000, 0.0000324200000000, -0.0015850600000000 ] - [ -0.0005567200000000, -0.0001715000000000, 0.0020724300000000 ] - [ 0.0003509700000000, 0.0001569000000000, 0.0017763500000000 ] - [ -0.0125578200000000, -0.0171548500000000, 0.0391798200000000 ] - [ 0.0000651400000000, 0.0000655700000000, -0.0013638700000000 ] - [ -0.0011070800000000, -0.0047042400000000, -0.0100047200000000 ] - [ 0.0009256600000000, -0.0006086400000000, 0.0001869100000000 ] - [ 0.0007538100000000, -0.0005472600000000, -0.0027792500000000 ] - [ -0.0009799900000000, 0.0000334500000000, -0.0037091600000000 ] - [ -0.0047695000000000, 0.0004597100000000, 0.0062442100000000 ] - [ 0.0034417900000000, 0.0065246400000000, 0.0028408400000000 ] - [ 0.0036269600000000, 0.0001603400000000, -0.0018630200000000 ] - [ -0.0068155200000000, -0.0017190600000000, -0.0017153000000000 ] - [ 0.0170561700000000, 0.0039212300000000, 0.2061833900000000 ] - [ 0.0013207000000000, -0.0010206500000000, 0.0026899700000000 ] - [ 0.0008526400000000, 0.0006350900000000, -0.0023905000000000 ] - [ 0.0008102600000000, 0.0010343800000000, -0.0020712500000000 ] - [ 0.0012119100000000, 0.0006328900000000, 0.0028426600000000 ] - [ 0.0002421700000000, 0.0010603200000000, 0.0028931500000000 ] - [ 0.0025147100000000, -0.0020421800000000, -0.0048451600000000 ] - [ -0.0041202500000000, -0.0007301100000000, -0.0034861000000000 ] - [ 0.0015605300000000, 0.0014216600000000, -0.0030178200000000 ] - [ -0.0028515600000000, 0.0006619500000000, -0.0028803800000000 ] - [ -0.0020126100000000, -0.0010179400000000, 0.0207570000000000 ] - [ 0.0046380400000000, -0.0044998700000000, 0.0110554900000000 ] - [ 0.0006601900000000, -0.0000858700000000, -0.0059474700000000 ] - [ 0.0001188700000000, -0.0004790400000000, -0.0051129600000000 ] - [ -0.0039779900000000, 0.0085654600000000, 0.0010634300000000 ] - [ 0.0010228300000000, 0.0008583200000000, 0.0009112200000000 ] - [ -0.0006558200000000, -0.0015766000000000, 0.0030045800000000 ] - [ 0.0012898100000000, 0.0004859000000000, 0.0019958500000000 ] - [ -0.0048506800000000, -0.0033480000000000, 0.0209721800000000 ] - [ 0.0015179900000000, -0.0004170900000000, 0.0003713500000000 ] - [ 0.0064763600000000, -0.0021977600000000, -0.0102732400000000 ] - [ -0.0035024300000000, -0.0000894600000000, -0.0040776900000000 ] - [ 0.0022661400000000, 0.0002914600000000, -0.0024959100000000 ] - [ -0.0020050600000000, -0.0001792100000000, -0.0017686500000000 ]- atom: 25 displacement: [ 0.0038283560719029, 0.0000000000000000, -0.0092381648495101 ] forces: - [ 0.0008294800000000, 0.0004585600000000, 0.0001871500000000 ] - [ -0.0011474700000000, -0.0009906900000000, -0.0020189600000000 ] - [ -0.0012483300000000, -0.0002364200000000, -0.0028648600000000 ] - [ -0.0008354200000000, -0.0003040200000000, -0.0017462500000000 ] - [ 0.0114805700000000, 0.0025807400000000, 0.0017077700000000 ] - [ -0.0019310600000000, -0.0031169200000000, 0.0036724800000000 ] - [ -0.0010694100000000, -0.0022073700000000, -0.0006631100000000 ] - [ 0.0018446200000000, -0.0010144700000000, -0.0002271300000000 ] - [ 0.0014536800000000, -0.0009602700000000, -0.0011687100000000 ] - [ -0.0020775900000000, 0.0002801600000000, -0.0036574700000000 ] - [ 0.0002440500000000, 0.0016641400000000, -0.0022870300000000 ] - [ -0.0000948000000000, 0.0001507800000000, -0.0005704900000000 ] - [ 0.0022426900000000, 0.0032865100000000, 0.0004208100000000 ] - [ -0.0008209400000000, -0.0000788100000000, 0.0010090100000000 ] - [ -0.0123297300000000, -0.0114487200000000, -0.0061336600000000 ] - [ 0.0012638100000000, -0.0002034800000000, 0.0004238100000000 ] - [ 0.0015240400000000, -0.0008074500000000, -0.0036597500000000 ] - [ 0.0001266800000000, 0.0003882000000000, -0.0010042700000000 ] - [ 0.0011969200000000, 0.0011576400000000, -0.0008743300000000 ] - [ -0.0011845200000000, 0.0004694700000000, -0.0015267600000000 ] - [ -0.0068544900000000, 0.0049799500000000, 0.0010387500000000 ] - [ 0.0016034800000000, 0.0009613200000000, -0.0003959200000000 ] - [ 0.0047329400000000, -0.0042621800000000, -0.0015253000000000 ] - [ -0.0010892100000000, -0.0001337900000000, 0.0026916100000000 ] - [ 0.0186995100000000, -0.0052214400000000, 0.3260757100000000 ] - [ 0.0015989900000000, -0.0002496900000000, 0.0027578600000000 ] - [ -0.0001761900000000, 0.0003919400000000, -0.0020008600000000 ] - [ -0.0005089200000000, 0.0004375000000000, -0.0014434500000000 ] - [ 0.0010371700000000, 0.0004582100000000, 0.0007486700000000 ] - [ -0.0003801400000000, -0.0000636700000000, 0.0012450600000000 ] - [ 0.0012228100000000, -0.0015908900000000, -0.0051441100000000 ] - [ -0.0010618900000000, -0.0006342000000000, -0.0031775000000000 ] - [ 0.0009306000000000, 0.0002263800000000, -0.0014188500000000 ] - [ -0.0016630900000000, 0.0003945700000000, -0.0018322000000000 ] - [ 0.0000461600000000, 0.0008364200000000, 0.0031124900000000 ] - [ 0.0003635900000000, 0.0022571400000000, 0.0027133200000000 ] - [ 0.0000100200000000, 0.0006036700000000, -0.0019083500000000 ] - [ -0.0002947100000000, 0.0008854700000000, -0.0021314300000000 ] - [ -0.0064572800000000, -0.0132037600000000, -0.0180178800000000 ] - [ 0.0004985900000000, -0.0003088500000000, 0.0006539100000000 ] - [ -0.0033144700000000, 0.0002569400000000, -0.0050873100000000 ] - [ 0.0020234900000000, -0.0001468200000000, -0.0016014500000000 ] - [ -0.0013541500000000, 0.0000954000000000, 0.0032253100000000 ] - [ 0.0009819700000000, 0.0012260800000000, 0.0008972800000000 ] - [ 0.0004916200000000, 0.0002926000000000, -0.0020948800000000 ] - [ -0.0001586200000000, 0.0004467900000000, -0.0017351300000000 ] - [ 0.0031632300000000, 0.0000102800000000, 0.0010825100000000 ] - [ -0.0129306200000000, 0.0037938800000000, -0.0031860600000000 ] - [ 0.0067412000000000, 0.0009702700000000, -0.0090230400000000 ] - [ -0.0012004700000000, -0.0000855100000000, -0.0010273000000000 ] - [ -0.0009178700000000, 0.0014382000000000, 0.0037863600000000 ] - [ 0.0002968000000000, -0.0003098300000000, 0.0014039800000000 ] - [ 0.0006536200000000, 0.0004411100000000, -0.0022331400000000 ] - [ -0.0002482800000000, 0.0001144100000000, -0.0019409200000000 ] - [ 0.0126512500000000, 0.0177628700000000, -0.0396749500000000 ] - [ -0.0001598800000000, 0.0002076900000000, 0.0015353500000000 ] - [ 0.0010810000000000, 0.0035890800000000, 0.0101173200000000 ] - [ -0.0009445200000000, -0.0004819900000000, -0.0000486500000000 ] - [ -0.0007443300000000, -0.0005476000000000, 0.0026049600000000 ] - [ 0.0010141700000000, -0.0011331200000000, 0.0035386300000000 ] - [ 0.0047565300000000, 0.0005683100000000, -0.0063138000000000 ] - [ -0.0034023100000000, -0.0054116300000000, -0.0029623200000000 ] - [ -0.0036183100000000, 0.0009314300000000, 0.0020259200000000 ] - [ 0.0067551000000000, 0.0028152800000000, 0.0018881900000000 ] - [ -0.0224372100000000, -0.0038909800000000, -0.2180516300000000 ] - [ -0.0029993400000000, 0.0015556300000000, -0.0031864100000000 ] - [ 0.0008342000000000, -0.0000798900000000, 0.0028804200000000 ] - [ 0.0008868700000000, -0.0004830300000000, 0.0025673900000000 ] - [ 0.0004854900000000, -0.0011726800000000, -0.0023667700000000 ] - [ 0.0014391000000000, -0.0015931200000000, -0.0023864300000000 ] - [ -0.0041631600000000, 0.0014669000000000, 0.0043182500000000 ] - [ 0.0023873600000000, 0.0001638300000000, 0.0029690500000000 ] - [ -0.0023905800000000, -0.0016236900000000, 0.0031858600000000 ] - [ 0.0019672900000000, -0.0008739100000000, 0.0030464400000000 ] - [ 0.0030935500000000, 0.0009085400000000, -0.0208731300000000 ] - [ -0.0038735400000000, 0.0042673200000000, -0.0111357000000000 ] - [ 0.0001875400000000, 0.0003162800000000, 0.0057214300000000 ] - [ 0.0007424300000000, 0.0007124100000000, 0.0049167300000000 ] - [ 0.0031527500000000, -0.0083070100000000, -0.0009495400000000 ] - [ -0.0018715800000000, -0.0006216100000000, -0.0007610100000000 ] - [ 0.0009513000000000, 0.0016756100000000, -0.0024918600000000 ] - [ -0.0009623200000000, -0.0004076500000000, -0.0015194700000000 ] - [ 0.0042974700000000, 0.0029295200000000, -0.0198268500000000 ] - [ -0.0017924500000000, 0.0004751400000000, -0.0007947900000000 ] - [ -0.0067977500000000, 0.0021420300000000, 0.0098139500000000 ] - [ 0.0031667600000000, 0.0000096500000000, 0.0035668300000000 ] - [ -0.0019486400000000, -0.0003608900000000, 0.0029201300000000 ] - [ 0.0023031000000000, 0.0001158200000000, 0.0022004700000000 ]- atom: 33 displacement: [ 0.0099999278170813, 0.0000000000000000, -0.0000379954360843 ] forces: - [ 0.0003429900000000, 0.0003221600000000, 0.0004075100000000 ] - [ 0.0003864200000000, 0.0004889600000000, 0.0000588600000000 ] - [ -0.0007871200000000, 0.0004651700000000, -0.0013277300000000 ] - [ 0.0002538200000000, 0.0004536900000000, 0.0006606600000000 ] - [ -0.0017051700000000, -0.0005416600000000, -0.0006822600000000 ] - [ 0.0006879200000000, -0.0004239800000000, 0.0002181100000000 ] - [ 0.0014238400000000, -0.0003606200000000, 0.0003436500000000 ] - [ -0.0037188400000000, -0.0069628000000000, 0.0037138300000000 ] - [ -0.0001596200000000, -0.0000158800000000, 0.0005129500000000 ] - [ 0.0001067700000000, 0.0001876100000000, -0.0005659500000000 ] - [ -0.0002767900000000, -0.0000146200000000, -0.0005380300000000 ] - [ 0.0007425400000000, 0.0003072700000000, 0.0008293300000000 ] - [ -0.0010861500000000, -0.0004166500000000, -0.0002683100000000 ] - [ 0.0012366100000000, -0.0002966700000000, 0.0001928300000000 ] - [ 0.0014680500000000, 0.0001566500000000, -0.0004303700000000 ] - [ 0.0022714000000000, -0.0011524900000000, 0.0183268200000000 ] - [ 0.0000373400000000, 0.0003507700000000, -0.0004181100000000 ] - [ 0.0007922300000000, 0.0001035800000000, 0.0003932500000000 ] - [ -0.0007259700000000, 0.0003504500000000, 0.0008999400000000 ] - [ -0.0000408100000000, 0.0003403000000000, -0.0004972500000000 ] - [ 0.0006766300000000, -0.0005261700000000, -0.0001359300000000 ] - [ -0.0015325400000000, -0.0001453500000000, 0.0007457800000000 ] - [ 0.0003903100000000, 0.0046690900000000, -0.0176038200000000 ] - [ 0.0022333100000000, -0.0003571100000000, -0.0000322800000000 ] - [ 0.0004392600000000, 0.0002638900000000, -0.0007206000000000 ] - [ 0.0001967700000000, 0.0006175000000000, 0.0019968100000000 ] - [ -0.0004613700000000, 0.0013929700000000, -0.0003494000000000 ] - [ 0.0006482000000000, -0.0002934200000000, -0.0002316500000000 ] - [ -0.0000968200000000, -0.0002651500000000, -0.0001741200000000 ] - [ -0.0003155300000000, -0.0002751700000000, 0.0000636000000000 ] - [ -0.0052279800000000, -0.0035946100000000, 0.0048247600000000 ] - [ 0.0011230100000000, -0.0004173700000000, 0.0000426200000000 ] - [ -0.0551995800000000, 0.0147293800000000, -0.0318730700000000 ] - [ 0.0009245700000000, 0.0000660000000000, 0.0001472100000000 ] - [ 0.0002544000000000, 0.0002097200000000, -0.0000515200000000 ] - [ -0.0004291200000000, 0.0001009100000000, -0.0000138000000000 ] - [ 0.0013098900000000, 0.0012303500000000, 0.0018476700000000 ] - [ 0.0008617800000000, -0.0008987200000000, -0.0015743200000000 ] - [ -0.0000528200000000, -0.0002305500000000, -0.0001321400000000 ] - [ 0.0001134700000000, 0.0001715000000000, 0.0007005400000000 ] - [ 0.0018424000000000, -0.0003012200000000, 0.0002190900000000 ] - [ 0.0015017800000000, 0.0172255600000000, -0.0028414000000000 ] - [ -0.0005897200000000, 0.0002025600000000, -0.0009812400000000 ] - [ 0.0002999900000000, -0.0001610100000000, 0.0002646200000000 ] - [ -0.0005545900000000, 0.0003228000000000, -0.0005768800000000 ] - [ 0.0008255000000000, 0.0005160600000000, -0.0000919000000000 ] - [ 0.0003232100000000, 0.0000566200000000, 0.0005209000000000 ] - [ -0.0002853400000000, 0.0002452000000000, 0.0001699900000000 ] - [ 0.0007784700000000, -0.0182092600000000, 0.0005456300000000 ] - [ 0.0016970000000000, 0.0000240200000000, -0.0003599500000000 ] - [ 0.0005593700000000, -0.0001629700000000, -0.0006009500000000 ] - [ -0.0005277300000000, -0.0004902600000000, 0.0010156300000000 ] - [ -0.0006913900000000, 0.0001444500000000, 0.0003227600000000 ] - [ 0.0008462100000000, -0.0000271000000000, -0.0003731600000000 ] - [ -0.0001344700000000, 0.0002153700000000, -0.0000173500000000 ] - [ -0.0002086200000000, 0.0000035800000000, 0.0004322900000000 ] - [ 0.0001073500000000, -0.0006376300000000, 0.0004018100000000 ] - [ -0.0001507400000000, -0.0004515000000000, -0.0005205400000000 ] - [ -0.0005553700000000, -0.0001548100000000, -0.0027237500000000 ] - [ -0.0002064100000000, -0.0006442800000000, 0.0022834800000000 ] - [ -0.0013062800000000, 0.0003343900000000, -0.0000773000000000 ] - [ 0.0017990700000000, 0.0008413000000000, -0.0003206900000000 ] - [ 0.0323998100000000, -0.0094706000000000, 0.0235577400000000 ] - [ -0.0023137400000000, 0.0004917700000000, 0.0002118800000000 ] - [ -0.0006163100000000, 0.0003484800000000, 0.0004327100000000 ] - [ -0.0010982700000000, 0.0002499600000000, -0.0015514300000000 ] - [ 0.0001741700000000, -0.0019817400000000, -0.0001673200000000 ] - [ 0.0000686500000000, 0.0019224400000000, 0.0006265800000000 ] - [ 0.0002970800000000, -0.0003741100000000, 0.0002740500000000 ] - [ 0.0019963900000000, -0.0002873900000000, -0.0000706100000000 ] - [ 0.0273192000000000, 0.0001332200000000, -0.0001076900000000 ] - [ -0.0031602700000000, -0.0002186100000000, -0.0002318200000000 ] - [ 0.0052398900000000, 0.0016359500000000, 0.0010888500000000 ] - [ -0.0025489200000000, -0.0001801100000000, 0.0001710600000000 ] - [ -0.0007294200000000, 0.0000374400000000, -0.0002218100000000 ] - [ 0.0049293500000000, 0.0002464100000000, -0.0007341200000000 ] - [ -0.0015859200000000, 0.0011209200000000, -0.0029407300000000 ] - [ -0.0014068600000000, -0.0004244300000000, 0.0033242600000000 ] - [ -0.0004650800000000, 0.0001294200000000, 0.0007513200000000 ] - [ -0.0005830300000000, 0.0001643600000000, -0.0008556500000000 ] - [ -0.0016601800000000, -0.0026791200000000, 0.0012383800000000 ] - [ -0.0022095400000000, 0.0022381800000000, -0.0010666900000000 ] - [ -0.0032396500000000, 0.0021441600000000, 0.0040903500000000 ] - [ -0.0037600100000000, -0.0034979500000000, -0.0026328800000000 ] - [ 0.0010833100000000, -0.0005069100000000, -0.0012575700000000 ] - [ -0.0010781300000000, 0.0000571800000000, -0.0003201700000000 ] - [ 0.0012758400000000, 0.0001642900000000, 0.0001124600000000 ] - [ -0.0008033800000000, -0.0001440200000000, 0.0002817000000000 ]- atom: 33 displacement: [ -0.0099999278170813, 0.0000000000000000, 0.0000379954360843 ] forces: - [ 0.0003809200000000, 0.0005446800000000, -0.0000416200000000 ] - [ 0.0003381900000000, 0.0003785900000000, 0.0003066200000000 ] - [ 0.0000668600000000, 0.0003965300000000, 0.0009686900000000 ] - [ -0.0009786500000000, 0.0004080300000000, -0.0010227700000000 ] - [ 0.0009813400000000, -0.0003258600000000, 0.0003205300000000 ] - [ -0.0014102800000000, -0.0004439700000000, -0.0005814900000000 ] - [ -0.0007007300000000, -0.0005082400000000, 0.0000174100000000 ] - [ 0.0044603800000000, 0.0061100200000000, -0.0033589900000000 ] - [ -0.0001988700000000, 0.0003228000000000, -0.0006824100000000 ] - [ -0.0004607000000000, 0.0001143000000000, 0.0004006500000000 ] - [ 0.0006327300000000, 0.0003165700000000, 0.0007072900000000 ] - [ -0.0003860900000000, -0.0000047700000000, -0.0006593500000000 ] - [ 0.0014400400000000, 0.0001131600000000, 0.0004336900000000 ] - [ -0.0008778400000000, -0.0000067600000000, -0.0000281700000000 ] - [ -0.0018244300000000, -0.0004605400000000, 0.0002599300000000 ] - [ -0.0026353400000000, 0.0008326300000000, -0.0186719200000000 ] - [ 0.0008650200000000, 0.0002435800000000, 0.0002210500000000 ] - [ 0.0001070000000000, 0.0004904700000000, -0.0005899300000000 ] - [ -0.0001749200000000, 0.0002396000000000, -0.0007002300000000 ] - [ -0.0008593500000000, 0.0002510200000000, 0.0006972600000000 ] - [ -0.0015761500000000, -0.0000663300000000, 0.0003304300000000 ] - [ 0.0006320300000000, -0.0004504700000000, -0.0005473500000000 ] - [ 0.0005000600000000, -0.0052543100000000, 0.0173071800000000 ] - [ -0.0013326200000000, -0.0002351100000000, -0.0001659700000000 ] - [ -0.0001568100000000, 0.0002757000000000, 0.0010333100000000 ] - [ 0.0000870000000000, -0.0000791500000000, -0.0016834400000000 ] - [ 0.0001786000000000, -0.0008455500000000, 0.0000345000000000 ] - [ -0.0009297000000000, 0.0008355600000000, -0.0000824000000000 ] - [ -0.0001855400000000, -0.0002736500000000, -0.0001358400000000 ] - [ 0.0000327500000000, -0.0002637900000000, -0.0003722800000000 ] - [ 0.0054942300000000, 0.0030659000000000, -0.0045129400000000 ] - [ -0.0008393800000000, -0.0001233000000000, 0.0002684000000000 ] - [ 0.0548098200000000, -0.0152418600000000, 0.0317573400000000 ] - [ -0.0008958400000000, 0.0001681000000000, 0.0000862500000000 ] - [ -0.0002822500000000, 0.0000261800000000, -0.0001843300000000 ] - [ 0.0004016900000000, 0.0001347400000000, -0.0002186200000000 ] - [ -0.0013252100000000, -0.0014522300000000, -0.0020656800000000 ] - [ -0.0008972900000000, 0.0006711400000000, 0.0013496700000000 ] - [ 0.0000815200000000, -0.0000037700000000, 0.0003678300000000 ] - [ -0.0000847400000000, -0.0004065200000000, -0.0004648200000000 ] - [ -0.0017176900000000, -0.0000254000000000, 0.0000197500000000 ] - [ -0.0013856300000000, -0.0176889400000000, 0.0030762700000000 ] - [ 0.0004660400000000, -0.0005260500000000, 0.0007467300000000 ] - [ -0.0004259500000000, -0.0001602700000000, -0.0005011800000000 ] - [ 0.0004311100000000, 0.0000051100000000, 0.0003396700000000 ] - [ -0.0009518400000000, -0.0001890500000000, -0.0001450800000000 ] - [ -0.0001971300000000, 0.0002651400000000, -0.0002832200000000 ] - [ 0.0004119100000000, 0.0000779600000000, 0.0000671200000000 ] - [ -0.0008932600000000, 0.0178116400000000, -0.0003923500000000 ] - [ -0.0017938600000000, -0.0002999100000000, 0.0005318800000000 ] - [ -0.0004584100000000, -0.0001091800000000, 0.0004278800000000 ] - [ 0.0006284800000000, 0.0002177200000000, -0.0011857800000000 ] - [ 0.0007877400000000, 0.0001369400000000, -0.0004941500000000 ] - [ -0.0007481500000000, 0.0003052300000000, 0.0002014200000000 ] - [ 0.0000358700000000, 0.0000570700000000, 0.0001899600000000 ] - [ 0.0001092100000000, 0.0002694500000000, -0.0002577000000000 ] - [ -0.0001212500000000, -0.0004467400000000, -0.0002296000000000 ] - [ 0.0001447200000000, -0.0006330100000000, 0.0006941100000000 ] - [ 0.0005639100000000, -0.0009238400000000, 0.0025353200000000 ] - [ 0.0002194400000000, -0.0004385600000000, -0.0024704200000000 ] - [ 0.0013187200000000, 0.0007493700000000, -0.0000945500000000 ] - [ -0.0017853600000000, 0.0002430800000000, 0.0001487800000000 ] - [ -0.0319534900000000, 0.0102332100000000, -0.0224268600000000 ] - [ 0.0022961800000000, 0.0005944700000000, -0.0000307500000000 ] - [ -0.0010849100000000, 0.0001899000000000, -0.0009434100000000 ] - [ -0.0005936700000000, 0.0002855700000000, 0.0010410600000000 ] - [ 0.0015195500000000, 0.0024977700000000, 0.0006787600000000 ] - [ 0.0016294500000000, -0.0014018900000000, -0.0001137000000000 ] - [ 0.0013999700000000, -0.0001606100000000, 0.0002332800000000 ] - [ -0.0002967600000000, -0.0002480900000000, 0.0005774000000000 ] - [ -0.0290577300000000, 0.0006086400000000, -0.0007608100000000 ] - [ 0.0014675700000000, -0.0003096000000000, -0.0002746000000000 ] - [ -0.0060966500000000, -0.0018606200000000, -0.0008894700000000 ] - [ 0.0016861300000000, -0.0000425200000000, 0.0000196500000000 ] - [ 0.0015900400000000, -0.0002596800000000, 0.0000356700000000 ] - [ -0.0040655300000000, -0.0004682800000000, 0.0005353500000000 ] - [ 0.0024672600000000, -0.0008957000000000, 0.0027547300000000 ] - [ 0.0022598900000000, 0.0006478500000000, -0.0035110100000000 ] - [ -0.0003981100000000, 0.0000910400000000, -0.0005643800000000 ] - [ -0.0002791800000000, 0.0000565300000000, 0.0010404600000000 ] - [ 0.0019783600000000, 0.0027579400000000, -0.0007947200000000 ] - [ 0.0025065200000000, -0.0021649400000000, 0.0015093600000000 ] - [ 0.0029334500000000, -0.0020629100000000, -0.0045172500000000 ] - [ 0.0034515800000000, 0.0035670000000000, 0.0021982200000000 ] - [ -0.0013901400000000, 0.0004514400000000, 0.0008268500000000 ] - [ 0.0007771800000000, -0.0001271100000000, -0.0001202600000000 ] - [ -0.0009714200000000, -0.0002421400000000, 0.0003231900000000 ] - [ 0.0011083600000000, 0.0000718700000000, 0.0001509200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001386300000000, 0.0012758600000000, -0.0003671400000000 ] - [ 0.0005017500000000, 0.0010195400000000, -0.0002504000000000 ] - [ 0.0005279500000000, -0.0014061900000000, -0.0008860800000000 ] - [ -0.0012823700000000, -0.0012783700000000, -0.0009612200000000 ] - [ 0.0002695100000000, -0.0012593400000000, 0.0007527600000000 ] - [ -0.0002531300000000, -0.0003672500000000, -0.0000948900000000 ] - [ 0.0007692100000000, -0.0002628500000000, 0.0006827500000000 ] - [ -0.0085413900000000, 0.0273355600000000, -0.0183145700000000 ] - [ -0.0011151100000000, 0.0013504200000000, -0.0019138800000000 ] - [ 0.0002742300000000, 0.0003299300000000, -0.0010292300000000 ] - [ 0.0003772500000000, -0.0004317800000000, 0.0002856700000000 ] - [ 0.0002117000000000, -0.0002789500000000, 0.0001358700000000 ] - [ 0.0007186400000000, 0.0021013900000000, 0.0007431400000000 ] - [ -0.0006364600000000, 0.0009539900000000, 0.0002918700000000 ] - [ 0.0000893900000000, -0.0011096300000000, 0.0000688400000000 ] - [ -0.0025786900000000, -0.0081776400000000, -0.0040118800000000 ] - [ 0.0008473100000000, 0.0010789300000000, -0.0010609500000000 ] - [ -0.0002003700000000, 0.0008907700000000, -0.0010225700000000 ] - [ -0.0009943400000000, -0.0007334600000000, 0.0001088600000000 ] - [ -0.0004061400000000, -0.0002646900000000, 0.0000658500000000 ] - [ -0.0006381600000000, 0.0004175200000000, 0.0003496100000000 ] - [ -0.0008462300000000, 0.0025559900000000, 0.0008877400000000 ] - [ 0.0055918300000000, -0.0044833200000000, -0.0131875400000000 ] - [ -0.0005465800000000, -0.0011554300000000, 0.0000512500000000 ] - [ 0.0003946600000000, -0.0001983400000000, 0.0001513300000000 ] - [ -0.0006574400000000, -0.0003261800000000, -0.0004634800000000 ] - [ 0.0011473300000000, 0.0035011300000000, 0.0011399000000000 ] - [ -0.0016509700000000, 0.0017952700000000, 0.0015368600000000 ] - [ -0.0001338800000000, -0.0000211500000000, -0.0009306100000000 ] - [ -0.0002208500000000, 0.0000275100000000, -0.0012703100000000 ] - [ -0.0029738200000000, 0.0073422300000000, -0.0151544700000000 ] - [ 0.0005098000000000, -0.0008291000000000, 0.0000985700000000 ] - [ 0.0157385100000000, -0.3293934000000000, 0.1850672100000000 ] - [ -0.0000319000000000, -0.0009780000000000, 0.0009744100000000 ] - [ -0.0001079300000000, 0.0002554200000000, -0.0003043600000000 ] - [ 0.0000022900000000, 0.0004569700000000, -0.0002538800000000 ] - [ 0.0013337300000000, -0.0001770400000000, 0.0019217300000000 ] - [ -0.0007945300000000, -0.0001161500000000, 0.0015164400000000 ] - [ 0.0001243500000000, -0.0003882100000000, -0.0005190000000000 ] - [ -0.0002760000000000, -0.0005177700000000, -0.0008407500000000 ] - [ -0.0014725000000000, -0.0003192000000000, 0.0007968300000000 ] - [ 0.0131767400000000, 0.0226500600000000, -0.0030862100000000 ] - [ 0.0002098400000000, 0.0003066800000000, -0.0014357300000000 ] - [ -0.0004651200000000, -0.0002131100000000, -0.0010287200000000 ] - [ -0.0001421700000000, 0.0030502700000000, 0.0003939100000000 ] - [ 0.0000223600000000, 0.0014261000000000, 0.0007677700000000 ] - [ -0.0003152000000000, -0.0000393600000000, -0.0007285500000000 ] - [ 0.0006703400000000, -0.0001792000000000, -0.0007414800000000 ] - [ -0.0116279600000000, 0.0229804500000000, 0.0007552700000000 ] - [ 0.0009420100000000, -0.0001037200000000, 0.0010466700000000 ] - [ 0.0004462500000000, -0.0001997000000000, -0.0008584400000000 ] - [ -0.0000353900000000, -0.0000176900000000, -0.0018671500000000 ] - [ 0.0001090200000000, 0.0027290600000000, 0.0007359900000000 ] - [ 0.0001245000000000, 0.0013925400000000, 0.0006032300000000 ] - [ 0.0005958000000000, -0.0001411900000000, -0.0009809300000000 ] - [ -0.0003560700000000, -0.0001359500000000, -0.0009296800000000 ] - [ -0.0004570100000000, -0.0010298500000000, 0.0012574600000000 ] - [ 0.0008221800000000, -0.0013782400000000, 0.0015611600000000 ] - [ 0.0001352100000000, 0.0018561800000000, -0.0015403000000000 ] - [ -0.0003211600000000, 0.0018728000000000, -0.0015405800000000 ] - [ 0.0005601700000000, 0.0001957500000000, 0.0001144700000000 ] - [ -0.0002508900000000, -0.0006581100000000, -0.0002048800000000 ] - [ -0.0092849700000000, 0.0567532800000000, -0.0687751700000000 ] - [ 0.0003230400000000, 0.0010872200000000, -0.0010307500000000 ] - [ -0.0014466800000000, 0.0005155800000000, 0.0004756800000000 ] - [ -0.0003151700000000, 0.0006645800000000, 0.0008465400000000 ] - [ -0.0005002500000000, -0.0026543100000000, -0.0025160100000000 ] - [ 0.0016868100000000, -0.0022559500000000, -0.0021119100000000 ] - [ 0.0010062000000000, -0.0007533800000000, 0.0010376600000000 ] - [ 0.0007263300000000, -0.0011755500000000, 0.0018744200000000 ] - [ -0.0019508500000000, 0.2155145500000000, -0.0640044800000000 ] - [ -0.0005350800000000, 0.0013630500000000, -0.0007441700000000 ] - [ -0.0024892600000000, -0.0205632000000000, -0.0070784800000000 ] - [ -0.0000753700000000, -0.0020740000000000, -0.0011477000000000 ] - [ 0.0005975100000000, 0.0004192000000000, 0.0008379300000000 ] - [ 0.0010399400000000, 0.0019916000000000, 0.0036407500000000 ] - [ 0.0066820400000000, -0.0024635100000000, 0.0034107500000000 ] - [ -0.0047994100000000, -0.0013550600000000, 0.0046146100000000 ] - [ -0.0008792100000000, 0.0001332600000000, 0.0014106600000000 ] - [ 0.0001203100000000, 0.0000359500000000, 0.0016302200000000 ] - [ -0.0039145600000000, -0.0030057400000000, 0.0016972400000000 ] - [ 0.0068804100000000, -0.0011738000000000, 0.0033604500000000 ] - [ 0.0020984000000000, 0.0029843100000000, -0.0066915200000000 ] - [ -0.0009886500000000, 0.0025321200000000, -0.0051189300000000 ] - [ -0.0011986900000000, 0.0027206300000000, 0.0054642200000000 ] - [ -0.0000449800000000, 0.0006924400000000, 0.0010657100000000 ] - [ 0.0000092000000000, -0.0017373800000000, 0.0002016200000000 ] - [ 0.0002002200000000, -0.0007746600000000, 0.0005670600000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005913900000000, -0.0004089700000000, 0.0007384000000000 ] - [ 0.0002235500000000, -0.0001521900000000, 0.0006206900000000 ] - [ -0.0012584000000000, 0.0022915600000000, 0.0005262800000000 ] - [ 0.0005628500000000, 0.0021610400000000, 0.0006046100000000 ] - [ -0.0010041400000000, 0.0004140400000000, -0.0011253400000000 ] - [ -0.0004704800000000, -0.0005023800000000, -0.0002697800000000 ] - [ -0.0000466000000000, -0.0006176000000000, -0.0003290500000000 ] - [ 0.0091238300000000, -0.0279235700000000, 0.0183701000000000 ] - [ 0.0007685500000000, -0.0010553300000000, 0.0017626500000000 ] - [ -0.0006314400000000, -0.0000302600000000, 0.0008741100000000 ] - [ -0.0000303100000000, 0.0007328200000000, -0.0001171100000000 ] - [ 0.0001397200000000, 0.0005806800000000, 0.0000329100000000 ] - [ -0.0003590500000000, -0.0024069300000000, -0.0005994700000000 ] - [ 0.0009937800000000, -0.0012567300000000, -0.0001308800000000 ] - [ -0.0004480800000000, 0.0008149900000000, -0.0002361600000000 ] - [ 0.0023628800000000, 0.0078442700000000, 0.0040809900000000 ] - [ 0.0000479400000000, -0.0004878100000000, 0.0008752900000000 ] - [ 0.0011058900000000, -0.0002997400000000, 0.0008364400000000 ] - [ 0.0000985000000000, 0.0013318900000000, 0.0000914000000000 ] - [ -0.0004950000000000, 0.0008610700000000, 0.0001343900000000 ] - [ -0.0002616000000000, -0.0010156500000000, -0.0001592800000000 ] - [ -0.0000610300000000, -0.0031430700000000, -0.0007107600000000 ] - [ -0.0047772700000000, 0.0037426700000000, 0.0131482400000000 ] - [ 0.0014587800000000, 0.0005554900000000, -0.0002487000000000 ] - [ -0.0001163900000000, 0.0007424100000000, 0.0001553600000000 ] - [ 0.0009535900000000, 0.0008799500000000, 0.0007894300000000 ] - [ -0.0014093200000000, -0.0029718200000000, -0.0014632000000000 ] - [ 0.0013646500000000, -0.0012653900000000, -0.0018544300000000 ] - [ -0.0001500900000000, -0.0005205000000000, 0.0006355700000000 ] - [ -0.0000602200000000, -0.0005702800000000, 0.0009796100000000 ] - [ 0.0032900000000000, -0.0079619600000000, 0.0156902800000000 ] - [ -0.0002304600000000, 0.0002945000000000, 0.0002068700000000 ] - [ -0.0156645600000000, 0.3440291100000000, -0.1889152900000000 ] - [ 0.0000627800000000, 0.0012257200000000, -0.0007461600000000 ] - [ 0.0000777500000000, -0.0000180800000000, 0.0000679500000000 ] - [ -0.0000316200000000, -0.0002213800000000, 0.0000131900000000 ] - [ -0.0013632000000000, -0.0000739100000000, -0.0021624300000000 ] - [ 0.0007628600000000, -0.0001314800000000, -0.0017579900000000 ] - [ -0.0000956800000000, 0.0001548100000000, 0.0007648500000000 ] - [ 0.0003091900000000, 0.0002880800000000, 0.0010902400000000 ] - [ 0.0016108000000000, 0.0000010400000000, -0.0005669800000000 ] - [ -0.0133255500000000, -0.0233244200000000, 0.0033709700000000 ] - [ -0.0003358200000000, -0.0006448100000000, 0.0012185700000000 ] - [ 0.0003418300000000, -0.0001132900000000, 0.0007973900000000 ] - [ 0.0000050400000000, -0.0027380200000000, -0.0006220100000000 ] - [ -0.0001428600000000, -0.0011101400000000, -0.0010044700000000 ] - [ 0.0004454500000000, 0.0003624400000000, 0.0009749400000000 ] - [ -0.0005548800000000, 0.0005058200000000, 0.0009923500000000 ] - [ 0.0117731200000000, -0.0236401400000000, -0.0005998500000000 ] - [ -0.0010445500000000, -0.0001687600000000, -0.0008862700000000 ] - [ -0.0003490100000000, -0.0000752000000000, 0.0006910400000000 ] - [ 0.0001390700000000, -0.0002734200000000, 0.0017048600000000 ] - [ -0.0000028300000000, -0.0024638700000000, -0.0009008100000000 ] - [ -0.0000292700000000, -0.0011262900000000, -0.0007794100000000 ] - [ -0.0007014500000000, 0.0004174300000000, 0.0011651300000000 ] - [ 0.0002577200000000, 0.0004101200000000, 0.0011213300000000 ] - [ 0.0004467100000000, -0.0000495600000000, -0.0010973400000000 ] - [ -0.0008348600000000, 0.0002968700000000, -0.0014065200000000 ] - [ -0.0001302900000000, -0.0029504200000000, 0.0013648100000000 ] - [ 0.0003373000000000, -0.0029650800000000, 0.0013670200000000 ] - [ -0.0005520100000000, 0.0008800500000000, -0.0002862800000000 ] - [ 0.0002612200000000, 0.0017235200000000, 0.0000524900000000 ] - [ 0.0090529800000000, -0.0556625800000000, 0.0670913100000000 ] - [ -0.0003391200000000, 0.0000006400000000, 0.0012220600000000 ] - [ -0.0002394800000000, 0.0000126200000000, -0.0009919400000000 ] - [ -0.0013890100000000, -0.0001364400000000, -0.0013766100000000 ] - [ 0.0021747900000000, 0.0031998800000000, 0.0030214400000000 ] - [ 0.0000254300000000, 0.0028011200000000, 0.0026226100000000 ] - [ 0.0006911900000000, 0.0002247900000000, -0.0005370600000000 ] - [ 0.0009689300000000, 0.0006570200000000, -0.0013754800000000 ] - [ 0.0004930400000000, -0.2296837700000000, 0.0691208400000000 ] - [ -0.0011599100000000, -0.0019093800000000, 0.0002423900000000 ] - [ 0.0016278800000000, 0.0203847000000000, 0.0072929600000000 ] - [ -0.0007873100000000, 0.0018643900000000, 0.0013464900000000 ] - [ 0.0002585000000000, -0.0006433200000000, -0.0010363500000000 ] - [ -0.0001613800000000, -0.0022366600000000, -0.0039076200000000 ] - [ -0.0058589100000000, 0.0026856400000000, -0.0036231000000000 ] - [ 0.0056978800000000, 0.0015728700000000, -0.0048383600000000 ] - [ 0.0000243300000000, 0.0000910300000000, -0.0012404700000000 ] - [ -0.0009924500000000, 0.0001897100000000, -0.0014619800000000 ] - [ 0.0042492000000000, 0.0031368700000000, -0.0012337900000000 ] - [ -0.0065854000000000, 0.0012969700000000, -0.0028982600000000 ] - [ -0.0024055100000000, -0.0029744200000000, 0.0062933300000000 ] - [ 0.0006580400000000, -0.0025512500000000, 0.0047206400000000 ] - [ 0.0009065900000000, -0.0028019400000000, -0.0059454500000000 ] - [ -0.0002574000000000, -0.0007734000000000, -0.0015277700000000 ] - [ 0.0002974700000000, 0.0016740400000000, 0.0002217200000000 ] - [ 0.0001012400000000, 0.0007168900000000, -0.0001363000000000 ]- atom: 33 displacement: [ -0.0038283560719029, 0.0000000000000000, 0.0092381648495101 ] forces: - [ 0.0009392400000000, -0.0003607200000000, 0.0011888200000000 ] - [ 0.0001251000000000, -0.0000740000000000, 0.0010730200000000 ] - [ -0.0021157300000000, 0.0006047700000000, 0.0015084300000000 ] - [ 0.0011294100000000, 0.0009046200000000, 0.0006985400000000 ] - [ -0.0005430600000000, 0.0016285700000000, -0.0000045300000000 ] - [ -0.0003510000000000, -0.0003811200000000, -0.0000060400000000 ] - [ -0.0005849400000000, -0.0010014700000000, -0.0011262500000000 ] - [ 0.0052096500000000, -0.0115317500000000, 0.0006268100000000 ] - [ 0.0015402200000000, -0.0014039400000000, 0.0021882600000000 ] - [ -0.0006390100000000, -0.0000493000000000, 0.0008026700000000 ] - [ -0.0004100900000000, 0.0010486000000000, 0.0017127200000000 ] - [ 0.0006885800000000, 0.0005681700000000, 0.0009118600000000 ] - [ 0.0005439100000000, -0.0008624400000000, -0.0006937900000000 ] - [ 0.0007411200000000, -0.0006020900000000, -0.0003530800000000 ] - [ -0.0018254300000000, 0.0001644200000000, -0.0003898100000000 ] - [ 0.0112990600000000, -0.0005404500000000, 0.0100112100000000 ] - [ -0.0004488900000000, -0.0004652700000000, 0.0011617700000000 ] - [ 0.0009984800000000, -0.0000711300000000, 0.0006343000000000 ] - [ 0.0007204100000000, 0.0012231500000000, 0.0015068000000000 ] - [ -0.0013057200000000, 0.0006569300000000, 0.0013760100000000 ] - [ -0.0013008400000000, -0.0003817200000000, -0.0002339300000000 ] - [ 0.0000644700000000, -0.0010000900000000, -0.0010458700000000 ] - [ -0.0099225100000000, -0.0097950800000000, 0.0281839700000000 ] - [ 0.0014294700000000, -0.0001381500000000, -0.0005548500000000 ] - [ -0.0006448100000000, 0.0005712300000000, 0.0017521600000000 ] - [ 0.0015557100000000, 0.0012340600000000, 0.0020030800000000 ] - [ -0.0001486200000000, -0.0008328400000000, -0.0033658100000000 ] - [ 0.0000285900000000, -0.0000628000000000, -0.0027722900000000 ] - [ -0.0002434800000000, -0.0005407600000000, 0.0015988300000000 ] - [ 0.0001878200000000, -0.0005662900000000, 0.0018741500000000 ] - [ 0.0077069200000000, -0.0203868200000000, 0.0188268500000000 ] - [ -0.0005058300000000, -0.0001091900000000, -0.0004421400000000 ] - [ -0.0084716700000000, 0.1646830000000000, -0.2642507100000000 ] - [ -0.0003136800000000, 0.0009176300000000, -0.0014063500000000 ] - [ -0.0000516600000000, 0.0002448300000000, 0.0005024700000000 ] - [ 0.0002427800000000, 0.0002385500000000, 0.0004495700000000 ] - [ 0.0012863500000000, 0.0012617200000000, -0.0006226100000000 ] - [ -0.0017029700000000, 0.0017090500000000, 0.0002210900000000 ] - [ -0.0001871400000000, 0.0005267600000000, 0.0014299900000000 ] - [ 0.0005189700000000, 0.0006695100000000, 0.0017466900000000 ] - [ 0.0002401600000000, -0.0000245900000000, -0.0015659900000000 ] - [ -0.0043754900000000, -0.0149693500000000, -0.0058357300000000 ] - [ -0.0003058300000000, -0.0013888800000000, 0.0026697500000000 ] - [ 0.0000714600000000, -0.0002250300000000, 0.0009730600000000 ] - [ -0.0001586800000000, -0.0000324700000000, -0.0010708200000000 ] - [ 0.0003515700000000, -0.0001004100000000, -0.0012540200000000 ] - [ 0.0006969000000000, 0.0002096900000000, 0.0018264000000000 ] - [ -0.0009788500000000, 0.0004762800000000, 0.0020897000000000 ] - [ 0.0013456000000000, 0.0031901300000000, -0.0085200300000000 ] - [ -0.0006870400000000, -0.0001672300000000, -0.0015006200000000 ] - [ -0.0007847000000000, -0.0001545900000000, 0.0015307100000000 ] - [ 0.0006091000000000, -0.0011214600000000, 0.0017539700000000 ] - [ 0.0005734600000000, -0.0003416100000000, -0.0015085100000000 ] - [ -0.0007314100000000, 0.0000833300000000, -0.0007664300000000 ] - [ -0.0011441000000000, 0.0002453200000000, 0.0023125700000000 ] - [ 0.0005327800000000, 0.0002950200000000, 0.0021946900000000 ] - [ 0.0008160900000000, -0.0002927600000000, -0.0019382400000000 ] - [ -0.0014437800000000, 0.0000990500000000, -0.0020959600000000 ] - [ -0.0019918300000000, -0.0016616700000000, -0.0013071200000000 ] - [ 0.0023007200000000, -0.0021746900000000, -0.0028227400000000 ] - [ 0.0001878300000000, 0.0004106100000000, -0.0006997800000000 ] - [ -0.0009065000000000, -0.0005760500000000, -0.0000645400000000 ] - [ 0.0090229400000000, -0.0613118900000000, 0.1771812800000000 ] - [ 0.0006346500000000, 0.0004872900000000, 0.0024862400000000 ] - [ 0.0001630000000000, -0.0000833500000000, -0.0024925500000000 ] - [ -0.0018984500000000, -0.0002168000000000, -0.0027421300000000 ] - [ 0.0003384400000000, -0.0009845700000000, 0.0038171600000000 ] - [ 0.0022426400000000, -0.0017738200000000, 0.0030144100000000 ] - [ 0.0010170300000000, 0.0001437500000000, -0.0015057700000000 ] - [ 0.0002236500000000, 0.0007226900000000, -0.0020860200000000 ] - [ -0.0113637600000000, -0.0548291200000000, 0.0453450400000000 ] - [ -0.0004085600000000, -0.0009070000000000, 0.0012378700000000 ] - [ -0.0018079600000000, 0.0057951600000000, 0.0065291900000000 ] - [ 0.0000758500000000, 0.0008139800000000, 0.0026410300000000 ] - [ 0.0007194800000000, -0.0002406800000000, -0.0020306800000000 ] - [ -0.0011994500000000, -0.0025147500000000, -0.0087521000000000 ] - [ -0.0054231000000000, 0.0033813800000000, 0.0018690600000000 ] - [ 0.0051393600000000, 0.0025675900000000, -0.0016967400000000 ] - [ 0.0006610900000000, 0.0001857800000000, -0.0033842600000000 ] - [ -0.0014801900000000, 0.0003481400000000, -0.0029374000000000 ] - [ 0.0058486400000000, 0.0063435200000000, 0.0006484600000000 ] - [ -0.0040169900000000, 0.0029230700000000, 0.0004116900000000 ] - [ 0.0031232700000000, -0.0042002700000000, 0.0013450800000000 ] - [ -0.0020234900000000, -0.0043242900000000, 0.0043447000000000 ] - [ 0.0007260200000000, -0.0018505900000000, -0.0094335300000000 ] - [ -0.0000704800000000, -0.0002099900000000, -0.0023336100000000 ] - [ -0.0000080100000000, 0.0001170500000000, -0.0016640800000000 ] - [ 0.0003077500000000, 0.0001409400000000, -0.0009346800000000 ]- atom: 33 displacement: [ 0.0038283560719029, 0.0000000000000000, -0.0092381648495101 ] forces: - [ -0.0002175300000000, 0.0012262100000000, -0.0008287700000000 ] - [ 0.0005967100000000, 0.0009397800000000, -0.0007129800000000 ] - [ 0.0013892000000000, 0.0002436100000000, -0.0018702300000000 ] - [ -0.0018556000000000, -0.0000493000000000, -0.0010700200000000 ] - [ -0.0001777200000000, -0.0025058600000000, -0.0003508700000000 ] - [ -0.0003688300000000, -0.0004831800000000, -0.0003541300000000 ] - [ 0.0013151400000000, 0.0001410500000000, 0.0014985800000000 ] - [ -0.0045523300000000, 0.0107819800000000, -0.0002525800000000 ] - [ -0.0019009900000000, 0.0017084400000000, -0.0023633300000000 ] - [ 0.0002800400000000, 0.0003537400000000, -0.0009801200000000 ] - [ 0.0007702000000000, -0.0007425800000000, -0.0015418700000000 ] - [ -0.0003295400000000, -0.0002638400000000, -0.0007461000000000 ] - [ -0.0001906900000000, 0.0005710700000000, 0.0008791900000000 ] - [ -0.0003796200000000, 0.0003003900000000, 0.0005277600000000 ] - [ 0.0014720100000000, -0.0004772200000000, 0.0002246200000000 ] - [ -0.0118118300000000, 0.0002355000000000, -0.0102414200000000 ] - [ 0.0013531400000000, 0.0010609800000000, -0.0013658200000000 ] - [ -0.0000982700000000, 0.0006674500000000, -0.0008378700000000 ] - [ -0.0016195500000000, -0.0006293400000000, -0.0013133100000000 ] - [ 0.0004001900000000, -0.0000631400000000, -0.0011796400000000 ] - [ 0.0004007500000000, -0.0002055900000000, 0.0004355100000000 ] - [ -0.0009681900000000, 0.0004073800000000, 0.0012572200000000 ] - [ 0.0110923700000000, 0.0093893900000000, -0.0289980500000000 ] - [ -0.0005300200000000, -0.0004569600000000, 0.0003607900000000 ] - [ 0.0009339600000000, -0.0000378000000000, -0.0014286100000000 ] - [ -0.0012783400000000, -0.0007000900000000, -0.0016775300000000 ] - [ -0.0001437400000000, 0.0013845800000000, 0.0030640600000000 ] - [ -0.0003125900000000, 0.0006072100000000, 0.0024553700000000 ] - [ -0.0000402500000000, 0.0000048600000000, -0.0019288700000000 ] - [ -0.0004759800000000, 0.0000290400000000, -0.0022034500000000 ] - [ -0.0073130500000000, 0.0196234000000000, -0.0183215700000000 ] - [ 0.0007927000000000, -0.0004339000000000, 0.0007594700000000 ] - [ 0.0103060800000000, -0.1687228600000000, 0.2738138200000000 ] - [ 0.0003411700000000, -0.0006939400000000, 0.0016356300000000 ] - [ 0.0000245700000000, -0.0000124200000000, -0.0007235600000000 ] - [ -0.0002719300000000, -0.0000066000000000, -0.0006690000000000 ] - [ -0.0013183800000000, -0.0014960800000000, 0.0003898900000000 ] - [ 0.0016683000000000, -0.0019284800000000, -0.0004442800000000 ] - [ 0.0002147800000000, -0.0007579200000000, -0.0012110800000000 ] - [ -0.0004924700000000, -0.0009036100000000, -0.0015288400000000 ] - [ -0.0001295800000000, -0.0003005300000000, 0.0018032600000000 ] - [ 0.0045732800000000, 0.0147212800000000, 0.0059660900000000 ] - [ 0.0001821100000000, 0.0010758200000000, -0.0029231400000000 ] - [ -0.0001944200000000, -0.0000972200000000, -0.0012122400000000 ] - [ 0.0000420100000000, 0.0003691100000000, 0.0008282600000000 ] - [ -0.0004787100000000, 0.0004258000000000, 0.0010203900000000 ] - [ -0.0005768400000000, 0.0001148200000000, -0.0015929300000000 ] - [ 0.0011066000000000, -0.0001549900000000, -0.0018601700000000 ] - [ -0.0015212300000000, -0.0032896800000000, 0.0087112400000000 ] - [ 0.0005995800000000, -0.0001115800000000, 0.0016757000000000 ] - [ 0.0008859800000000, -0.0001221200000000, -0.0017101800000000 ] - [ -0.0005191400000000, 0.0008501000000000, -0.0019275300000000 ] - [ -0.0004816800000000, 0.0006270900000000, 0.0013346100000000 ] - [ 0.0008289200000000, 0.0001998200000000, 0.0005957500000000 ] - [ 0.0010521700000000, 0.0000308300000000, -0.0021443900000000 ] - [ -0.0006322300000000, -0.0000193600000000, -0.0020320400000000 ] - [ -0.0008302800000000, -0.0007901900000000, 0.0021201700000000 ] - [ 0.0014366000000000, -0.0011816900000000, 0.0022727300000000 ] - [ 0.0019976300000000, 0.0005831200000000, 0.0011472000000000 ] - [ -0.0022814800000000, 0.0010923900000000, 0.0026416100000000 ] - [ -0.0001740100000000, 0.0006701300000000, 0.0005262400000000 ] - [ 0.0009245700000000, 0.0016593300000000, -0.0001171900000000 ] - [ -0.0112696300000000, 0.0669453700000000, -0.1853958600000000 ] - [ -0.0006518400000000, 0.0005974900000000, -0.0023234000000000 ] - [ -0.0018627700000000, 0.0006189700000000, 0.0019929800000000 ] - [ 0.0002057800000000, 0.0007493300000000, 0.0022406700000000 ] - [ 0.0013569200000000, 0.0015164500000000, -0.0033134500000000 ] - [ -0.0005555100000000, 0.0022864000000000, -0.0025141000000000 ] - [ 0.0006680500000000, -0.0006770400000000, 0.0020149600000000 ] - [ 0.0014831300000000, -0.0012621400000000, 0.0025968100000000 ] - [ 0.0099750400000000, 0.0537264200000000, -0.0462420100000000 ] - [ -0.0012761900000000, 0.0003838000000000, -0.0017434100000000 ] - [ 0.0009347300000000, -0.0060935700000000, -0.0063778200000000 ] - [ -0.0009359500000000, -0.0010419000000000, -0.0024722400000000 ] - [ 0.0001362100000000, 0.0000232900000000, 0.0018503800000000 ] - [ 0.0021013000000000, 0.0023225700000000, 0.0086162900000000 ] - [ 0.0063072800000000, -0.0031657100000000, -0.0020035000000000 ] - [ -0.0043031600000000, -0.0023370400000000, 0.0015532500000000 ] - [ -0.0015285200000000, 0.0000333900000000, 0.0035811200000000 ] - [ 0.0006176400000000, -0.0001294600000000, 0.0031257200000000 ] - [ -0.0055851100000000, -0.0063319100000000, -0.0002231500000000 ] - [ 0.0043322500000000, -0.0028581400000000, 0.0000373100000000 ] - [ -0.0034192500000000, 0.0043114300000000, -0.0018558200000000 ] - [ 0.0017070100000000, 0.0044055800000000, -0.0048241800000000 ] - [ -0.0010289900000000, 0.0017896800000000, 0.0089889400000000 ] - [ -0.0002257600000000, 0.0001383300000000, 0.0018954000000000 ] - [ 0.0003096200000000, -0.0001959000000000, 0.0021218800000000 ] - [ -0.0000060400000000, -0.0002134000000000, 0.0013917900000000 ]- atom: 41 displacement: [ 0.0099999278170813, 0.0000000000000000, -0.0000379954360843 ] forces: - [ 0.0002399700000000, 0.0015078900000000, -0.0004587900000000 ] - [ 0.0004372300000000, 0.0000329500000000, 0.0005328100000000 ] - [ 0.0022103700000000, 0.0016287200000000, 0.0014069000000000 ] - [ -0.0035742400000000, -0.0042666400000000, -0.0039090600000000 ] - [ 0.0026597800000000, -0.0002837900000000, 0.0014409700000000 ] - [ -0.0016976100000000, -0.0002405100000000, -0.0019444300000000 ] - [ -0.0026342800000000, -0.0015832900000000, -0.0030526100000000 ] - [ 0.0018061400000000, -0.0001075200000000, 0.0009217300000000 ] - [ 0.0023157200000000, 0.0004592600000000, -0.0054903600000000 ] - [ 0.0000796100000000, -0.0007852600000000, 0.0017979900000000 ] - [ 0.0013340900000000, 0.0006652900000000, 0.0006354400000000 ] - [ -0.0010561900000000, -0.0005315500000000, -0.0005564000000000 ] - [ 0.0010043000000000, 0.0011860500000000, 0.0009452100000000 ] - [ -0.0001950400000000, -0.0009575100000000, -0.0020312400000000 ] - [ -0.0044204700000000, -0.0028996400000000, -0.0013942900000000 ] - [ 0.0018764300000000, 0.0008756900000000, 0.0000429200000000 ] - [ 0.0021502400000000, -0.0002533600000000, 0.0010522700000000 ] - [ -0.0022636300000000, 0.0011784700000000, -0.0024564700000000 ] - [ -0.0001410600000000, -0.0001368600000000, -0.0006012500000000 ] - [ -0.0002475000000000, 0.0009409300000000, 0.0010940100000000 ] - [ -0.0051538200000000, 0.0015652000000000, 0.0001442300000000 ] - [ 0.0019132700000000, -0.0009374200000000, -0.0000732400000000 ] - [ 0.0012495900000000, -0.0013692500000000, 0.0005555800000000 ] - [ 0.0006147700000000, 0.0003998300000000, -0.0027263700000000 ] - [ -0.0010745800000000, -0.0007591500000000, 0.0033103800000000 ] - [ 0.0007298600000000, 0.0006165500000000, -0.0017491600000000 ] - [ -0.0005686400000000, 0.0015971100000000, 0.0010828000000000 ] - [ 0.0020802800000000, -0.0004637400000000, -0.0003706300000000 ] - [ 0.0000769800000000, -0.0001508500000000, -0.0006742200000000 ] - [ -0.0003485600000000, -0.0001513300000000, -0.0001418100000000 ] - [ 0.0047830200000000, -0.0020117100000000, -0.0012688600000000 ] - [ 0.0087089900000000, 0.0065629100000000, 0.0178335800000000 ] - [ 0.0017946200000000, -0.0014317600000000, 0.0010456000000000 ] - [ 0.0014072100000000, 0.0133696600000000, -0.0040984900000000 ] - [ -0.0005421500000000, -0.0001702100000000, -0.0005915700000000 ] - [ 0.0003490900000000, 0.0005035800000000, 0.0001859400000000 ] - [ -0.0005001900000000, -0.0001781600000000, -0.0004119300000000 ] - [ 0.0008756700000000, -0.0000272200000000, 0.0007188700000000 ] - [ 0.0002739800000000, 0.0002713700000000, 0.0008923500000000 ] - [ -0.0003410500000000, -0.0007206000000000, -0.0011810200000000 ] - [ -0.2562854900000000, -0.1053378800000000, -0.0390821700000000 ] - [ 0.0079317700000000, 0.0003444600000000, 0.0000109900000000 ] - [ -0.0001438900000000, -0.0001173600000000, 0.0001166600000000 ] - [ -0.0000431100000000, -0.0001684000000000, -0.0008590900000000 ] - [ 0.0023751900000000, -0.0000960700000000, -0.0001928700000000 ] - [ -0.0046136000000000, 0.0032359000000000, 0.0005801800000000 ] - [ -0.0000112900000000, -0.0000199400000000, -0.0006350900000000 ] - [ 0.0004046600000000, 0.0000893000000000, 0.0008912600000000 ] - [ 0.0166782900000000, 0.0004984300000000, 0.0009380100000000 ] - [ 0.0403216200000000, -0.0011897100000000, -0.0037394500000000 ] - [ -0.0003024000000000, -0.0000994000000000, -0.0001352600000000 ] - [ 0.0005204300000000, -0.0001768300000000, -0.0006122300000000 ] - [ 0.0017149700000000, 0.0036460600000000, -0.0000380300000000 ] - [ 0.0002784800000000, -0.0014701300000000, 0.0017316400000000 ] - [ 0.0000703700000000, -0.0001849800000000, 0.0002504800000000 ] - [ -0.0006547000000000, 0.0002712800000000, 0.0002799200000000 ] - [ -0.0010519500000000, -0.0000624700000000, -0.0010167900000000 ] - [ 0.0013731500000000, -0.0019012600000000, 0.0025128600000000 ] - [ 0.0002807000000000, 0.0017235500000000, 0.0013377800000000 ] - [ -0.0015655500000000, -0.0015596700000000, -0.0019787400000000 ] - [ 0.0029783200000000, 0.0012779900000000, 0.0013464800000000 ] - [ -0.0022223300000000, -0.0005919300000000, -0.0002593300000000 ] - [ -0.0023299100000000, 0.0010921400000000, -0.0015095900000000 ] - [ 0.0040386400000000, -0.0017221700000000, 0.0099672100000000 ] - [ -0.0014210800000000, -0.0000676600000000, -0.0018066800000000 ] - [ -0.0004272000000000, 0.0012142400000000, 0.0011570500000000 ] - [ 0.0024233400000000, -0.0016435400000000, -0.0002735700000000 ] - [ -0.0014793000000000, 0.0002302000000000, -0.0007891700000000 ] - [ 0.0010951400000000, -0.0001331100000000, 0.0009180400000000 ] - [ 0.0006108400000000, -0.0007006500000000, 0.0002068800000000 ] - [ -0.0098290300000000, 0.0026314900000000, 0.0009154900000000 ] - [ 0.1753485800000000, 0.0793882500000000, 0.0383454500000000 ] - [ -0.0055358400000000, -0.0030553000000000, -0.0009270000000000 ] - [ 0.0118009300000000, 0.0067719200000000, 0.0012898800000000 ] - [ 0.0018986000000000, -0.0002511200000000, 0.0016015100000000 ] - [ -0.0008066000000000, 0.0006583500000000, -0.0008187200000000 ] - [ 0.0106981400000000, 0.0027247800000000, 0.0006061000000000 ] - [ -0.0087298800000000, 0.0027869700000000, -0.0065469100000000 ] - [ -0.0006683000000000, 0.0002613600000000, -0.0006225000000000 ] - [ -0.0002404200000000, -0.0002877400000000, 0.0012751600000000 ] - [ 0.0026849300000000, -0.0006636600000000, -0.0004509600000000 ] - [ -0.0021834200000000, 0.0003104200000000, 0.0017938100000000 ] - [ 0.0041193700000000, 0.0018765300000000, -0.0103864900000000 ] - [ -0.0068538300000000, -0.0014703400000000, 0.0083912000000000 ] - [ -0.0032123400000000, 0.0016209000000000, 0.0012326400000000 ] - [ 0.0042650300000000, -0.0015977900000000, -0.0058454900000000 ] - [ -0.0026261100000000, -0.0010022500000000, 0.0012337300000000 ] - [ 0.0031138800000000, -0.0000273400000000, -0.0008616500000000 ]- atom: 41 displacement: [ -0.0099999278170813, 0.0000000000000000, 0.0000379954360843 ] forces: - [ 0.0004829600000000, -0.0006452300000000, 0.0008134600000000 ] - [ 0.0002831400000000, 0.0008343000000000, -0.0001811800000000 ] - [ -0.0029391100000000, -0.0007556600000000, -0.0017572000000000 ] - [ 0.0028694100000000, 0.0051603400000000, 0.0035603000000000 ] - [ -0.0033777700000000, -0.0005808700000000, -0.0017925500000000 ] - [ 0.0009594500000000, -0.0006299600000000, 0.0015941800000000 ] - [ 0.0033627600000000, 0.0007157900000000, 0.0034136000000000 ] - [ -0.0010894000000000, -0.0007617800000000, -0.0005750000000000 ] - [ -0.0026928700000000, -0.0001586900000000, 0.0053453200000000 ] - [ -0.0004440500000000, 0.0010889300000000, -0.0019691600000000 ] - [ -0.0009776100000000, -0.0003632200000000, -0.0004657200000000 ] - [ 0.0014186100000000, 0.0008368200000000, 0.0007244700000000 ] - [ -0.0006371000000000, -0.0014952000000000, -0.0007814500000000 ] - [ 0.0005387200000000, 0.0006493700000000, 0.0022045900000000 ] - [ 0.0040705300000000, 0.0025857100000000, 0.0012537900000000 ] - [ -0.0022359500000000, -0.0011695000000000, -0.0002176900000000 ] - [ -0.0012476800000000, 0.0008470200000000, -0.0012482000000000 ] - [ 0.0031855800000000, -0.0005885000000000, 0.0022643400000000 ] - [ -0.0007591000000000, 0.0007338200000000, 0.0007998900000000 ] - [ -0.0006586400000000, -0.0003451200000000, -0.0008965200000000 ] - [ 0.0042595600000000, -0.0021347000000000, 0.0001088000000000 ] - [ -0.0028173500000000, 0.0003352500000000, 0.0002684900000000 ] - [ -0.0003391200000000, 0.0007790000000000, -0.0007595800000000 ] - [ 0.0002746200000000, -0.0009938600000000, 0.0025433600000000 ] - [ 0.0013628200000000, 0.0013108100000000, -0.0030000700000000 ] - [ -0.0004509100000000, -0.0000663900000000, 0.0020563100000000 ] - [ 0.0003012200000000, -0.0010615200000000, -0.0014045500000000 ] - [ -0.0023904000000000, 0.0010132500000000, 0.0000480000000000 ] - [ -0.0003578500000000, -0.0003960800000000, 0.0003614900000000 ] - [ 0.0000685300000000, -0.0003959200000000, -0.0001750900000000 ] - [ -0.0045113900000000, 0.0014685200000000, 0.0016035600000000 ] - [ -0.0084695100000000, -0.0070446100000000, -0.0174240400000000 ] - [ -0.0017716700000000, 0.0016655500000000, -0.0008373500000000 ] - [ -0.0014693200000000, -0.0131486300000000, 0.0043577700000000 ] - [ 0.0005104900000000, 0.0003910300000000, 0.0003873000000000 ] - [ -0.0003754500000000, -0.0002882300000000, -0.0004020000000000 ] - [ 0.0004832300000000, -0.0000345300000000, 0.0001940700000000 ] - [ -0.0009081400000000, -0.0001914700000000, -0.0009378500000000 ] - [ -0.0002483700000000, -0.0004894500000000, -0.0006787100000000 ] - [ 0.0003674900000000, 0.0005042000000000, 0.0013966600000000 ] - [ 0.2475715600000000, 0.0990039500000000, 0.0359829200000000 ] - [ -0.0078220700000000, -0.0006743400000000, 0.0002292700000000 ] - [ 0.0000218800000000, -0.0002097800000000, -0.0003477200000000 ] - [ -0.0000833400000000, -0.0001574400000000, 0.0006297700000000 ] - [ -0.0025091700000000, 0.0004172200000000, -0.0000399600000000 ] - [ 0.0045339000000000, -0.0028772800000000, -0.0008328700000000 ] - [ 0.0001315900000000, 0.0003490900000000, 0.0008703000000000 ] - [ -0.0002802600000000, 0.0002372200000000, -0.0006593300000000 ] - [ -0.0170252500000000, -0.0007908900000000, -0.0007968500000000 ] - [ -0.0396200500000000, 0.0009077000000000, 0.0038016300000000 ] - [ 0.0003974000000000, -0.0001795600000000, -0.0000269200000000 ] - [ -0.0004278400000000, -0.0001020600000000, 0.0004458100000000 ] - [ -0.0016183200000000, -0.0033859300000000, -0.0001293100000000 ] - [ -0.0001981900000000, 0.0017460200000000, -0.0019054000000000 ] - [ -0.0001647700000000, 0.0004662000000000, -0.0000809500000000 ] - [ 0.0005605200000000, 0.0000097700000000, -0.0001150100000000 ] - [ 0.0010330500000000, -0.0010360500000000, 0.0011551300000000 ] - [ -0.0014010200000000, 0.0008060800000000, -0.0023819800000000 ] - [ -0.0002604900000000, -0.0028308100000000, -0.0014735800000000 ] - [ 0.0015972400000000, 0.0004533400000000, 0.0018420500000000 ] - [ -0.0029214800000000, -0.0001716700000000, -0.0015099900000000 ] - [ 0.0022386500000000, 0.0016918000000000, 0.0001247000000000 ] - [ 0.0023010200000000, 0.0000035200000000, 0.0016639400000000 ] - [ -0.0040569200000000, 0.0028489100000000, -0.0098844500000000 ] - [ -0.0002676600000000, 0.0006307800000000, 0.0013119600000000 ] - [ -0.0012615800000000, -0.0006559900000000, -0.0016496600000000 ] - [ -0.0007731900000000, 0.0022134600000000, 0.0007600000000000 ] - [ 0.0031776600000000, 0.0003387100000000, 0.0012917700000000 ] - [ 0.0005955100000000, -0.0004331100000000, -0.0004340100000000 ] - [ 0.0010784500000000, 0.0001411300000000, 0.0002880300000000 ] - [ 0.0081592400000000, -0.0032271500000000, -0.0014331400000000 ] - [ -0.1682968900000000, -0.0738267100000000, -0.0357995400000000 ] - [ 0.0046874800000000, 0.0028713000000000, 0.0011074800000000 ] - [ -0.0125052900000000, -0.0071495100000000, -0.0011494100000000 ] - [ -0.0010407900000000, 0.0000255800000000, -0.0017922100000000 ] - [ 0.0016578900000000, -0.0008793600000000, 0.0006499800000000 ] - [ -0.0101521100000000, -0.0026069900000000, -0.0003185900000000 ] - [ 0.0095999100000000, -0.0025664800000000, 0.0063220200000000 ] - [ -0.0001869700000000, -0.0000414100000000, 0.0007931100000000 ] - [ -0.0006146100000000, 0.0005097900000000, -0.0011056600000000 ] - [ -0.0023981900000000, 0.0007328100000000, 0.0009044000000000 ] - [ 0.0025113800000000, -0.0002416700000000, -0.0013431100000000 ] - [ -0.0046021100000000, -0.0018059700000000, 0.0097754400000000 ] - [ 0.0065440800000000, 0.0015178000000000, -0.0087882200000000 ] - [ 0.0029092500000000, -0.0016931400000000, -0.0017006100000000 ] - [ -0.0045821600000000, 0.0015349600000000, 0.0054055600000000 ] - [ 0.0029394800000000, 0.0009417700000000, -0.0007816000000000 ] - [ -0.0028067700000000, -0.0000362300000000, 0.0013289600000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003228400000000, 0.0007912100000000, -0.0000733500000000 ] - [ 0.0001515400000000, 0.0002495400000000, -0.0000070600000000 ] - [ 0.0003938100000000, 0.0006459200000000, 0.0001227900000000 ] - [ -0.0018186800000000, -0.0005616000000000, 0.0011656800000000 ] - [ -0.0010270100000000, -0.0007621500000000, -0.0003670000000000 ] - [ -0.0005699200000000, -0.0022643400000000, -0.0000963500000000 ] - [ 0.0011421500000000, 0.0085048700000000, 0.0016109300000000 ] - [ 0.0002560500000000, 0.0001028200000000, 0.0005168300000000 ] - [ 0.0006262200000000, 0.0000532300000000, -0.0016699500000000 ] - [ 0.0001707700000000, -0.0007949100000000, 0.0005257300000000 ] - [ 0.0005054600000000, 0.0004715600000000, 0.0001864600000000 ] - [ 0.0001639000000000, 0.0010121000000000, 0.0000620100000000 ] - [ 0.0004299100000000, -0.0004222900000000, 0.0004290900000000 ] - [ -0.0013774700000000, -0.0003508000000000, 0.0020471900000000 ] - [ -0.0011314500000000, 0.0025170900000000, -0.0048274100000000 ] - [ -0.0000578100000000, -0.0000249800000000, -0.0000887000000000 ] - [ 0.0008700700000000, -0.0000099400000000, 0.0000292200000000 ] - [ 0.0000191800000000, -0.0001481700000000, -0.0009855700000000 ] - [ -0.0006655400000000, 0.0006286900000000, 0.0001622900000000 ] - [ -0.0002199900000000, 0.0008417400000000, 0.0003445200000000 ] - [ -0.0003035700000000, 0.0003086700000000, 0.0066401300000000 ] - [ -0.0004712800000000, -0.0006233000000000, 0.0002872400000000 ] - [ 0.0000513000000000, 0.0002235000000000, -0.0001857400000000 ] - [ 0.0022755800000000, 0.0012889000000000, -0.0037300800000000 ] - [ 0.0000510100000000, 0.0000094400000000, -0.0003343700000000 ] - [ 0.0001104600000000, 0.0000594800000000, 0.0001245400000000 ] - [ 0.0012300600000000, 0.0019955800000000, 0.0007084500000000 ] - [ -0.0043475100000000, 0.0026070500000000, -0.0003888800000000 ] - [ 0.0000056800000000, -0.0000104800000000, -0.0002385100000000 ] - [ -0.0001332700000000, -0.0000924400000000, -0.0004595000000000 ] - [ 0.0011124400000000, -0.0011199500000000, 0.0003840700000000 ] - [ 0.0084995300000000, -0.0053956200000000, 0.0075509600000000 ] - [ -0.0001242400000000, -0.0000489800000000, 0.0002086900000000 ] - [ 0.0175918800000000, 0.0232727100000000, -0.0087626400000000 ] - [ -0.0003732400000000, 0.0005914100000000, 0.0010657400000000 ] - [ -0.0000133400000000, 0.0000676400000000, -0.0000446000000000 ] - [ 0.0001390000000000, 0.0027712200000000, -0.0002589300000000 ] - [ 0.0003410800000000, 0.0011458000000000, -0.0002461200000000 ] - [ 0.0001166900000000, -0.0003164300000000, 0.0001036800000000 ] - [ -0.0000721500000000, -0.0004587700000000, -0.0002662200000000 ] - [ -0.1038419200000000, -0.1119860100000000, -0.0257057600000000 ] - [ 0.0005585600000000, -0.0002829800000000, -0.0000767400000000 ] - [ -0.0001021200000000, 0.0000036000000000, -0.0001026900000000 ] - [ -0.0000491300000000, 0.0003887000000000, -0.0002789700000000 ] - [ -0.0003091600000000, -0.0001702400000000, -0.0005981200000000 ] - [ 0.0029577900000000, 0.0072530000000000, -0.0049368100000000 ] - [ 0.0002398500000000, 0.0000164800000000, -0.0001546100000000 ] - [ 0.0001291400000000, 0.0002332600000000, 0.0002375000000000 ] - [ 0.0004361900000000, -0.0029998200000000, 0.0006331900000000 ] - [ -0.0018781700000000, -0.0101244400000000, 0.0004853000000000 ] - [ 0.0000484700000000, 0.0005635200000000, -0.0002008600000000 ] - [ -0.0000085800000000, 0.0000191200000000, -0.0000778300000000 ] - [ 0.0016199200000000, 0.0004782600000000, -0.0006746900000000 ] - [ -0.0017766000000000, 0.0002595400000000, -0.0019838700000000 ] - [ -0.0000102600000000, 0.0001511300000000, -0.0002101500000000 ] - [ -0.0003383800000000, 0.0001808200000000, 0.0004328100000000 ] - [ -0.0004348000000000, -0.0000437800000000, -0.0000247700000000 ] - [ 0.0001738800000000, -0.0006884400000000, 0.0008288200000000 ] - [ 0.0006410600000000, -0.0023142300000000, -0.0007196800000000 ] - [ -0.0006311900000000, -0.0011703200000000, -0.0005168300000000 ] - [ 0.0023135500000000, 0.0025482200000000, -0.0023783300000000 ] - [ -0.0000436700000000, 0.0012356600000000, -0.0003999300000000 ] - [ 0.0002322100000000, -0.0002102100000000, -0.0001323400000000 ] - [ 0.0018130900000000, -0.0107934500000000, 0.0157300300000000 ] - [ -0.0009044300000000, 0.0004562600000000, 0.0000557900000000 ] - [ -0.0007234500000000, 0.0008653100000000, -0.0001506300000000 ] - [ -0.0034517700000000, -0.0044741700000000, 0.0001162700000000 ] - [ 0.0017195400000000, -0.0016138800000000, 0.0018339700000000 ] - [ 0.0007501700000000, -0.0013826400000000, 0.0000432500000000 ] - [ 0.0009376400000000, -0.0003771700000000, 0.0003755400000000 ] - [ -0.0006487400000000, 0.0001820500000000, -0.0006704000000000 ] - [ 0.0720057700000000, 0.0821599000000000, 0.0209739700000000 ] - [ -0.0014370100000000, 0.0004036200000000, -0.0003550800000000 ] - [ 0.0047088000000000, -0.0023365600000000, -0.0037531800000000 ] - [ -0.0001088500000000, 0.0003807400000000, 0.0018083700000000 ] - [ 0.0006000800000000, -0.0003119600000000, -0.0000260500000000 ] - [ 0.0022054200000000, 0.0108530300000000, -0.0012837100000000 ] - [ -0.0017165800000000, 0.0027612700000000, 0.0003623900000000 ] - [ -0.0005262600000000, -0.0002902600000000, 0.0000351600000000 ] - [ -0.0004069700000000, -0.0004029500000000, 0.0001994200000000 ] - [ 0.0002407800000000, -0.0028591300000000, -0.0008087000000000 ] - [ -0.0000201800000000, -0.0022833100000000, -0.0006614300000000 ] - [ 0.0013745300000000, 0.0084465200000000, 0.0014086700000000 ] - [ -0.0008233300000000, 0.0016907400000000, 0.0003484400000000 ] - [ -0.0006590700000000, 0.0005794600000000, -0.0000190300000000 ] - [ 0.0004957700000000, -0.0005510400000000, -0.0035294400000000 ] - [ -0.0004911000000000, -0.0005006800000000, 0.0008678400000000 ] - [ 0.0012693800000000, -0.0006975400000000, 0.0024086500000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003988700000000, 0.0000801900000000, 0.0004311900000000 ] - [ 0.0005725900000000, 0.0006188700000000, 0.0003673800000000 ] - [ -0.0011246400000000, 0.0002058800000000, -0.0004882400000000 ] - [ 0.0010997900000000, 0.0014001900000000, -0.0015252200000000 ] - [ 0.0003188400000000, -0.0000978000000000, 0.0000143200000000 ] - [ -0.0001481100000000, 0.0014072200000000, -0.0002588300000000 ] - [ -0.0004541600000000, -0.0094059600000000, -0.0012940600000000 ] - [ 0.0004694400000000, -0.0009684700000000, -0.0001585500000000 ] - [ -0.0009776500000000, 0.0002521000000000, 0.0014761300000000 ] - [ -0.0005332900000000, 0.0011096500000000, -0.0007032600000000 ] - [ -0.0001479200000000, -0.0001730400000000, -0.0000167100000000 ] - [ 0.0001947100000000, -0.0007185100000000, 0.0001136800000000 ] - [ -0.0000767600000000, 0.0001277400000000, -0.0002608000000000 ] - [ 0.0017535000000000, 0.0000617600000000, -0.0019012500000000 ] - [ 0.0007590400000000, -0.0028386300000000, 0.0046263000000000 ] - [ -0.0003005000000000, -0.0002871000000000, -0.0000812300000000 ] - [ 0.0000294400000000, 0.0006098500000000, -0.0002334600000000 ] - [ 0.0008774700000000, 0.0007542900000000, 0.0007805200000000 ] - [ -0.0002401800000000, -0.0000409600000000, 0.0000395300000000 ] - [ -0.0006843600000000, -0.0002589100000000, -0.0001474200000000 ] - [ -0.0006093400000000, -0.0008749100000000, -0.0064981200000000 ] - [ -0.0004315500000000, 0.0000379400000000, -0.0000879200000000 ] - [ 0.0008439500000000, -0.0008246700000000, -0.0000135200000000 ] - [ -0.0013612000000000, -0.0018933200000000, 0.0035058700000000 ] - [ 0.0002262500000000, 0.0005283300000000, 0.0006582000000000 ] - [ 0.0001751500000000, 0.0004801000000000, 0.0001959700000000 ] - [ -0.0015379100000000, -0.0014591800000000, -0.0010279600000000 ] - [ 0.0041347800000000, -0.0020817000000000, 0.0000781400000000 ] - [ -0.0002904600000000, -0.0005310000000000, -0.0000877100000000 ] - [ -0.0001514300000000, -0.0004490400000000, 0.0001419600000000 ] - [ -0.0008215300000000, 0.0005696600000000, -0.0000694500000000 ] - [ -0.0082838200000000, 0.0047608700000000, -0.0072984800000000 ] - [ 0.0001514600000000, 0.0002696800000000, 0.0000241000000000 ] - [ -0.0172565300000000, -0.0227051600000000, 0.0089376900000000 ] - [ 0.0003452100000000, -0.0003624500000000, -0.0013039600000000 ] - [ -0.0000151600000000, 0.0001648700000000, -0.0001825900000000 ] - [ -0.0001788200000000, -0.0030167500000000, 0.0000445800000000 ] - [ -0.0003649300000000, -0.0013908700000000, 0.0000316800000000 ] - [ -0.0000892600000000, 0.0000872700000000, 0.0001204400000000 ] - [ 0.0000997600000000, 0.0002279500000000, 0.0004891000000000 ] - [ 0.1006140100000000, 0.1113099800000000, 0.0252917200000000 ] - [ -0.0004440000000000, -0.0000419900000000, 0.0003146000000000 ] - [ -0.0000247500000000, -0.0003300900000000, -0.0001376500000000 ] - [ -0.0000745200000000, -0.0007147400000000, 0.0000349800000000 ] - [ 0.0001917900000000, 0.0005054100000000, 0.0003699600000000 ] - [ -0.0031359500000000, -0.0070157200000000, 0.0047979000000000 ] - [ -0.0001125200000000, 0.0003064500000000, 0.0003863800000000 ] - [ -0.0000035700000000, 0.0000894200000000, -0.0000037700000000 ] - [ -0.0004955900000000, 0.0027371400000000, -0.0004534300000000 ] - [ 0.0015569800000000, 0.0098810900000000, -0.0002860700000000 ] - [ 0.0000513700000000, -0.0008399000000000, 0.0000182400000000 ] - [ 0.0001118600000000, -0.0002966400000000, -0.0000994500000000 ] - [ -0.0015370800000000, -0.0001765100000000, 0.0005167300000000 ] - [ 0.0018987400000000, 0.0000262500000000, 0.0018417800000000 ] - [ -0.0000876800000000, 0.0001241000000000, 0.0003781500000000 ] - [ 0.0002432700000000, 0.0000916500000000, -0.0002659800000000 ] - [ 0.0004196800000000, -0.0010515600000000, 0.0001950600000000 ] - [ -0.0001792000000000, -0.0004100400000000, -0.0006571400000000 ] - [ -0.0006284000000000, 0.0012494800000000, 0.0005351900000000 ] - [ 0.0006500800000000, 0.0001030800000000, 0.0003431300000000 ] - [ -0.0023006700000000, -0.0014846400000000, 0.0022276500000000 ] - [ 0.0000591900000000, -0.0001592100000000, 0.0002422200000000 ] - [ -0.0002444800000000, 0.0013155600000000, 0.0002927300000000 ] - [ -0.0018169700000000, 0.0119056300000000, -0.0154983800000000 ] - [ -0.0007847400000000, 0.0000863900000000, -0.0005582800000000 ] - [ -0.0009759500000000, -0.0003221900000000, -0.0003506300000000 ] - [ 0.0052052000000000, 0.0050311200000000, 0.0003849000000000 ] - [ -0.0000511300000000, 0.0021553400000000, -0.0013661700000000 ] - [ 0.0009429200000000, 0.0008452300000000, 0.0004651700000000 ] - [ 0.0007566000000000, -0.0001681800000000, 0.0001319300000000 ] - [ -0.0010486800000000, -0.0007022600000000, 0.0001622500000000 ] - [ -0.0707070500000000, -0.0820304900000000, -0.0206419100000000 ] - [ 0.0005825600000000, -0.0006548700000000, 0.0005255000000000 ] - [ -0.0053499700000000, 0.0016037700000000, 0.0038664000000000 ] - [ 0.0009679600000000, -0.0005999600000000, -0.0019754200000000 ] - [ 0.0002617400000000, 0.0000955400000000, -0.0001467600000000 ] - [ -0.0013203800000000, -0.0106175400000000, 0.0010898700000000 ] - [ 0.0026079500000000, -0.0025759500000000, -0.0005173000000000 ] - [ -0.0003280800000000, 0.0005221100000000, 0.0001479000000000 ] - [ -0.0004556000000000, 0.0006307200000000, -0.0000199100000000 ] - [ 0.0000907500000000, 0.0029313600000000, 0.0012818100000000 ] - [ 0.0003074700000000, 0.0023588100000000, 0.0011380700000000 ] - [ -0.0016840700000000, -0.0083848400000000, -0.0018882900000000 ] - [ 0.0005302200000000, -0.0016211100000000, -0.0008416100000000 ] - [ 0.0003563600000000, -0.0006306200000000, -0.0004209300000000 ] - [ -0.0008098600000000, 0.0004970500000000, 0.0031165900000000 ] - [ 0.0007970700000000, 0.0004227900000000, -0.0004182900000000 ] - [ -0.0009736300000000, 0.0006276300000000, -0.0019875100000000 ]- atom: 41 displacement: [ -0.0038283560719029, 0.0000000000000000, 0.0092381648495101 ] forces: - [ 0.0001769100000000, -0.0012455500000000, 0.0014854000000000 ] - [ 0.0008499100000000, -0.0000284400000000, 0.0009804600000000 ] - [ -0.0001969400000000, 0.0004380600000000, -0.0003572400000000 ] - [ 0.0006753000000000, 0.0069010600000000, 0.0046436000000000 ] - [ 0.0025528000000000, -0.0002483900000000, 0.0014341400000000 ] - [ -0.0015213000000000, -0.0013362000000000, 0.0020753900000000 ] - [ 0.0013882500000000, -0.0002571400000000, 0.0009775800000000 ] - [ -0.0001754100000000, -0.0008486500000000, -0.0008459100000000 ] - [ -0.0034766900000000, -0.0002311600000000, 0.0067346800000000 ] - [ 0.0011485200000000, -0.0007294100000000, 0.0005113900000000 ] - [ -0.0003697400000000, 0.0002552600000000, 0.0003086200000000 ] - [ 0.0007378600000000, 0.0017297500000000, 0.0012715900000000 ] - [ 0.0015015700000000, 0.0004919800000000, -0.0004809600000000 ] - [ -0.0015476200000000, 0.0009814600000000, 0.0010183500000000 ] - [ -0.0002501700000000, -0.0035156700000000, 0.0025204400000000 ] - [ -0.0009892700000000, -0.0007088200000000, -0.0003375300000000 ] - [ -0.0004401200000000, 0.0002702000000000, -0.0000812000000000 ] - [ 0.0020711600000000, -0.0015872100000000, 0.0036708100000000 ] - [ -0.0013280400000000, 0.0012992600000000, 0.0012758400000000 ] - [ 0.0004550700000000, 0.0011077700000000, 0.0004438600000000 ] - [ -0.0010103800000000, 0.0052580500000000, 0.0071747500000000 ] - [ -0.0011332100000000, 0.0003350800000000, -0.0003252900000000 ] - [ 0.0017461800000000, -0.0007435300000000, -0.0005753700000000 ] - [ -0.0008286100000000, -0.0009945000000000, 0.0009904200000000 ] - [ 0.0001094000000000, -0.0005271000000000, 0.0039732100000000 ] - [ -0.0001282000000000, -0.0000678500000000, 0.0025974500000000 ] - [ 0.0003099700000000, -0.0001819600000000, -0.0038719700000000 ] - [ -0.0026112900000000, 0.0009190500000000, -0.0017548000000000 ] - [ -0.0003360600000000, -0.0004082400000000, 0.0019781600000000 ] - [ 0.0001874400000000, -0.0004942600000000, 0.0015600700000000 ] - [ -0.0048729300000000, 0.0018738200000000, -0.0015725300000000 ] - [ 0.0180358400000000, 0.0050751600000000, 0.0055192500000000 ] - [ -0.0005867500000000, 0.0013368900000000, -0.0019046000000000 ] - [ -0.0033358700000000, -0.0079945900000000, -0.0052472400000000 ] - [ -0.0005972200000000, 0.0014432200000000, 0.0025460800000000 ] - [ 0.0002055800000000, 0.0008011100000000, 0.0010190900000000 ] - [ -0.0002477700000000, 0.0003851600000000, -0.0011237000000000 ] - [ -0.0003387400000000, 0.0006752300000000, -0.0015601700000000 ] - [ 0.0002895500000000, 0.0005298700000000, 0.0016712400000000 ] - [ 0.0002057600000000, 0.0009291500000000, 0.0026080800000000 ] - [ 0.0625257500000000, 0.0158667300000000, -0.0637862000000000 ] - [ -0.0030739800000000, -0.0005393600000000, -0.0018620000000000 ] - [ 0.0001844100000000, -0.0001950700000000, 0.0009838300000000 ] - [ -0.0007572500000000, -0.0000143800000000, 0.0013939900000000 ] - [ -0.0010879000000000, -0.0001886300000000, -0.0013934100000000 ] - [ 0.0023527800000000, -0.0055180600000000, -0.0027165500000000 ] - [ -0.0005938200000000, 0.0004828500000000, 0.0021234100000000 ] - [ 0.0006569000000000, 0.0000785000000000, 0.0018268700000000 ] - [ -0.0037312500000000, 0.0001669700000000, -0.0070667300000000 ] - [ -0.0249510300000000, 0.0006703300000000, -0.0078348100000000 ] - [ 0.0001029300000000, -0.0002506200000000, 0.0015378300000000 ] - [ -0.0000745400000000, -0.0001510700000000, 0.0012411300000000 ] - [ -0.0022620700000000, -0.0042961100000000, -0.0019195700000000 ] - [ 0.0001323900000000, 0.0001966600000000, -0.0028571400000000 ] - [ -0.0004951200000000, 0.0000643100000000, 0.0023009700000000 ] - [ -0.0003589600000000, 0.0003265300000000, 0.0022906300000000 ] - [ -0.0005705500000000, -0.0003582600000000, -0.0018272500000000 ] - [ -0.0005166300000000, 0.0012629200000000, -0.0043639200000000 ] - [ 0.0013346100000000, -0.0053328800000000, -0.0010062300000000 ] - [ -0.0003637000000000, -0.0019143000000000, 0.0010454700000000 ] - [ 0.0039366300000000, -0.0001427800000000, -0.0047956800000000 ] - [ -0.0005604900000000, -0.0006657400000000, -0.0009901600000000 ] - [ -0.0000068300000000, 0.0002806300000000, 0.0026667500000000 ] - [ 0.0017245500000000, 0.0040732100000000, -0.0025990400000000 ] - [ -0.0015262500000000, 0.0002364100000000, -0.0035505800000000 ] - [ -0.0004998200000000, -0.0006955300000000, -0.0033231800000000 ] - [ 0.0010275500000000, 0.0019494200000000, 0.0047820100000000 ] - [ 0.0020980900000000, 0.0001331900000000, 0.0034613800000000 ] - [ 0.0012036800000000, -0.0015168400000000, -0.0025006700000000 ] - [ 0.0004380700000000, -0.0004569700000000, -0.0017276800000000 ] - [ 0.0024186400000000, -0.0008616300000000, 0.0039238200000000 ] - [ -0.0285387200000000, -0.0093055700000000, 0.0365741900000000 ] - [ 0.0015614100000000, 0.0009095500000000, 0.0039408100000000 ] - [ -0.0030580800000000, -0.0062281600000000, 0.0097682100000000 ] - [ 0.0014523600000000, 0.0011795000000000, -0.0045035500000000 ] - [ -0.0002631100000000, 0.0008649400000000, -0.0024403200000000 ] - [ -0.0088199600000000, -0.0044034500000000, 0.0164878700000000 ] - [ -0.0000415900000000, 0.0024254600000000, 0.0061230800000000 ] - [ -0.0008701500000000, 0.0004003700000000, -0.0023258700000000 ] - [ -0.0001395900000000, 0.0004655300000000, -0.0032404300000000 ] - [ -0.0027823300000000, -0.0001914800000000, 0.0006273100000000 ] - [ 0.0021556000000000, -0.0005040000000000, -0.0008214500000000 ] - [ -0.0106359500000000, 0.0008037400000000, -0.0002781000000000 ] - [ 0.0046195400000000, 0.0011057600000000, -0.0037309800000000 ] - [ 0.0026185200000000, -0.0020643300000000, -0.0031969500000000 ] - [ -0.0024742900000000, -0.0016046900000000, -0.0058288300000000 ] - [ 0.0027168700000000, 0.0013171800000000, -0.0012417700000000 ] - [ -0.0025320800000000, 0.0012512800000000, -0.0003219500000000 ]- atom: 41 displacement: [ 0.0038283560719029, 0.0000000000000000, -0.0092381648495101 ] forces: - [ 0.0005465700000000, 0.0020999400000000, -0.0011216300000000 ] - [ -0.0001273000000000, 0.0009030300000000, -0.0006272300000000 ] - [ -0.0005483400000000, 0.0004286600000000, -0.0000073000000000 ] - [ -0.0013574300000000, -0.0059396200000000, -0.0049432500000000 ] - [ -0.0032879600000000, -0.0006236500000000, -0.0017936800000000 ] - [ 0.0008096900000000, 0.0004630500000000, -0.0024256500000000 ] - [ -0.0006382700000000, -0.0006121800000000, -0.0005946900000000 ] - [ 0.0008899200000000, -0.0000250200000000, 0.0011962400000000 ] - [ 0.0030775000000000, 0.0005294100000000, -0.0068138100000000 ] - [ -0.0015051800000000, 0.0010344900000000, -0.0006910900000000 ] - [ 0.0007127100000000, 0.0000384000000000, -0.0001473300000000 ] - [ -0.0003696700000000, -0.0014166900000000, -0.0010989000000000 ] - [ -0.0011474900000000, -0.0007932500000000, 0.0006453900000000 ] - [ 0.0019066700000000, -0.0012811700000000, -0.0008327300000000 ] - [ -0.0000915900000000, 0.0032496700000000, -0.0026652800000000 ] - [ 0.0006211200000000, 0.0004052700000000, 0.0001723200000000 ] - [ 0.0013212200000000, 0.0003270500000000, -0.0001174600000000 ] - [ -0.0011357300000000, 0.0021625600000000, -0.0038222100000000 ] - [ 0.0004290300000000, -0.0006961500000000, -0.0010765600000000 ] - [ -0.0013514300000000, -0.0005173300000000, -0.0002587300000000 ] - [ 0.0001129500000000, -0.0059294200000000, -0.0070348200000000 ] - [ 0.0002251000000000, -0.0009252300000000, 0.0005201500000000 ] - [ -0.0008480300000000, 0.0001510900000000, 0.0003811000000000 ] - [ 0.0017179100000000, 0.0003954300000000, -0.0011480900000000 ] - [ 0.0001719900000000, 0.0010717900000000, -0.0036549500000000 ] - [ 0.0004068800000000, 0.0006111700000000, -0.0022632700000000 ] - [ -0.0005802400000000, 0.0007219800000000, 0.0035356300000000 ] - [ 0.0023058300000000, -0.0003682300000000, 0.0014354900000000 ] - [ 0.0000532800000000, -0.0001381900000000, -0.0022810100000000 ] - [ -0.0004635500000000, -0.0000515000000000, -0.0018681000000000 ] - [ 0.0050807200000000, -0.0023796000000000, 0.0018688400000000 ] - [ -0.0177194400000000, -0.0056220300000000, -0.0053098400000000 ] - [ 0.0006061800000000, -0.0011147900000000, 0.0021003900000000 ] - [ 0.0032765500000000, 0.0081052000000000, 0.0055747900000000 ] - [ 0.0005759600000000, -0.0012283900000000, -0.0027504100000000 ] - [ -0.0002313200000000, -0.0005859300000000, -0.0012243800000000 ] - [ 0.0002298900000000, -0.0005997300000000, 0.0009037200000000 ] - [ 0.0003048600000000, -0.0008884000000000, 0.0013379700000000 ] - [ -0.0002667600000000, -0.0007433300000000, -0.0014627000000000 ] - [ -0.0001759500000000, -0.0011322400000000, -0.0023779500000000 ] - [ -0.0605560600000000, -0.0152890900000000, 0.0629380000000000 ] - [ 0.0031739500000000, 0.0002121400000000, 0.0020866100000000 ] - [ -0.0003143400000000, -0.0001268600000000, -0.0012157300000000 ] - [ 0.0006222200000000, -0.0003069700000000, -0.0016196200000000 ] - [ 0.0009366700000000, 0.0005090000000000, 0.0011488400000000 ] - [ -0.0024342400000000, 0.0058015100000000, 0.0024419100000000 ] - [ 0.0007255000000000, -0.0001579300000000, -0.0018744800000000 ] - [ -0.0005257100000000, 0.0002426400000000, -0.0015904400000000 ] - [ 0.0036126400000000, -0.0004284500000000, 0.0071787200000000 ] - [ 0.0248630900000000, -0.0009652900000000, 0.0081486100000000 ] - [ -0.0000015800000000, -0.0000254200000000, -0.0017039500000000 ] - [ 0.0001753100000000, -0.0001208700000000, -0.0014047600000000 ] - [ 0.0023402700000000, 0.0045018400000000, 0.0017251200000000 ] - [ -0.0000335700000000, 0.0000867000000000, 0.0026644100000000 ] - [ 0.0003898200000000, 0.0002109200000000, -0.0021206600000000 ] - [ 0.0002627500000000, -0.0000531000000000, -0.0021133200000000 ] - [ 0.0005587400000000, -0.0007423100000000, 0.0019743500000000 ] - [ 0.0004847400000000, -0.0023419100000000, 0.0044697200000000 ] - [ -0.0013123100000000, 0.0041931300000000, 0.0008639100000000 ] - [ 0.0004027500000000, 0.0008156900000000, -0.0011738700000000 ] - [ -0.0039393900000000, 0.0012471100000000, 0.0046418800000000 ] - [ 0.0005910700000000, 0.0017665800000000, 0.0008377100000000 ] - [ -0.0000088200000000, 0.0008157600000000, -0.0025077900000000 ] - [ -0.0017746000000000, -0.0029479300000000, 0.0026147500000000 ] - [ -0.0001628700000000, 0.0003209000000000, 0.0030540100000000 ] - [ -0.0011946400000000, 0.0012350000000000, 0.0028105800000000 ] - [ 0.0006231000000000, -0.0013676600000000, -0.0042540200000000 ] - [ -0.0003915800000000, 0.0004243200000000, -0.0029492900000000 ] - [ 0.0004841100000000, 0.0009637500000000, 0.0029845500000000 ] - [ 0.0012515900000000, -0.0000968600000000, 0.0022138100000000 ] - [ -0.0040780000000000, 0.0003069900000000, -0.0043656600000000 ] - [ 0.0261470700000000, 0.0084448100000000, -0.0370245300000000 ] - [ -0.0023903700000000, -0.0011271500000000, -0.0037427500000000 ] - [ 0.0022297500000000, 0.0058247200000000, -0.0096181300000000 ] - [ -0.0005999700000000, -0.0014132400000000, 0.0043085500000000 ] - [ 0.0011234800000000, -0.0010942000000000, 0.0022602000000000 ] - [ 0.0086963400000000, 0.0042922100000000, -0.0155450500000000 ] - [ 0.0009685400000000, -0.0022137000000000, -0.0062571600000000 ] - [ 0.0000164000000000, -0.0001720700000000, 0.0024995000000000 ] - [ -0.0007199800000000, -0.0002322300000000, 0.0033912600000000 ] - [ 0.0030776900000000, 0.0002741200000000, -0.0001832300000000 ] - [ -0.0018266300000000, 0.0005754500000000, 0.0012602100000000 ] - [ 0.0102005100000000, -0.0007281200000000, -0.0003443400000000 ] - [ -0.0048956800000000, -0.0010335600000000, 0.0032228900000000 ] - [ -0.0028886400000000, 0.0019723600000000, 0.0027140000000000 ] - [ 0.0021163900000000, 0.0015421800000000, 0.0054142000000000 ] - [ -0.0023710700000000, -0.0013693800000000, 0.0016868400000000 ] - [ 0.0028087100000000, -0.0013116300000000, 0.0007946400000000 ]- atom: 49 displacement: [ 0.0099999278170813, 0.0000000000000000, -0.0000379954360843 ] forces: - [ -0.0002034800000000, 0.0000519100000000, 0.0001906400000000 ] - [ 0.0006949500000000, 0.0006795300000000, -0.0001366800000000 ] - [ 0.0002437400000000, -0.0009174500000000, -0.0017254300000000 ] - [ -0.0003773400000000, 0.0036980600000000, 0.0017560700000000 ] - [ -0.0044140300000000, -0.0009067200000000, 0.0001333400000000 ] - [ 0.0018469800000000, -0.0002400100000000, 0.0001100200000000 ] - [ 0.0009166000000000, 0.0000365800000000, 0.0003325700000000 ] - [ 0.0011004200000000, 0.0019881400000000, 0.0044505200000000 ] - [ -0.0024302900000000, 0.0008296100000000, 0.0009280400000000 ] - [ 0.0010719900000000, 0.0000620700000000, -0.0014690500000000 ] - [ 0.0001640900000000, -0.0003560500000000, -0.0007577000000000 ] - [ 0.0002756700000000, 0.0006237300000000, 0.0005004600000000 ] - [ -0.0037925700000000, -0.0018539800000000, 0.0003193600000000 ] - [ 0.0023245300000000, -0.0004575500000000, 0.0001565400000000 ] - [ 0.0028548200000000, 0.0036643200000000, -0.0007684000000000 ] - [ 0.0002485300000000, -0.0003041600000000, 0.0025986900000000 ] - [ 0.0004494400000000, 0.0007785400000000, -0.0015615900000000 ] - [ 0.0018048200000000, -0.0010605400000000, 0.0031727200000000 ] - [ -0.0016294100000000, 0.0000869300000000, 0.0001270200000000 ] - [ 0.0004433500000000, 0.0001854900000000, -0.0005419200000000 ] - [ 0.0030004500000000, -0.0032816500000000, -0.0009909200000000 ] - [ -0.0008841500000000, 0.0001180600000000, 0.0032515600000000 ] - [ -0.0031183700000000, 0.0007332600000000, 0.0018157300000000 ] - [ 0.0025623200000000, -0.0000721800000000, -0.0002564000000000 ] - [ 0.0007135400000000, 0.0023241200000000, -0.0070612800000000 ] - [ 0.0001562900000000, 0.0001577500000000, 0.0014092800000000 ] - [ -0.0031740600000000, -0.0010888000000000, -0.0003556100000000 ] - [ 0.0018123500000000, 0.0002509800000000, 0.0003883800000000 ] - [ -0.0001570700000000, -0.0003005300000000, -0.0008338600000000 ] - [ -0.0001143500000000, -0.0003528400000000, 0.0001684200000000 ] - [ -0.0045146700000000, -0.0059983400000000, -0.0156687500000000 ] - [ 0.0036897600000000, -0.0002831700000000, 0.0017716700000000 ] - [ 0.0008983400000000, -0.0115980200000000, 0.0020527700000000 ] - [ 0.0017596600000000, 0.0010980600000000, 0.0001273900000000 ] - [ 0.0004985200000000, -0.0003035500000000, -0.0007981300000000 ] - [ -0.0005888000000000, 0.0001819400000000, 0.0002681600000000 ] - [ -0.0007538900000000, -0.0000489500000000, 0.0001760900000000 ] - [ 0.0007891400000000, -0.0000272900000000, -0.0006047200000000 ] - [ -0.0000783500000000, -0.0007540200000000, -0.0011408300000000 ] - [ -0.0001482400000000, 0.0002014200000000, 0.0006489400000000 ] - [ 0.0170553500000000, 0.0003043900000000, 0.0031832400000000 ] - [ 0.0396023900000000, -0.0018510800000000, -0.0101700700000000 ] - [ -0.0004189200000000, -0.0001602000000000, -0.0002118800000000 ] - [ 0.0004099000000000, -0.0001017200000000, -0.0000635500000000 ] - [ 0.0015990000000000, 0.0017352300000000, -0.0019159600000000 ] - [ 0.0001586900000000, -0.0016723000000000, 0.0000823400000000 ] - [ 0.0001820400000000, 0.0001210100000000, -0.0003249300000000 ] - [ -0.0005423100000000, 0.0004540400000000, -0.0004795800000000 ] - [ -0.1986671600000000, 0.0748484700000000, 0.0807879300000000 ] - [ 0.0068196000000000, -0.0001117600000000, -0.0002035000000000 ] - [ 0.0001426600000000, 0.0000672100000000, -0.0007109700000000 ] - [ -0.0001197100000000, -0.0001658900000000, 0.0006357800000000 ] - [ -0.0033804100000000, -0.0013897900000000, -0.0006218400000000 ] - [ 0.0021630000000000, 0.0006624800000000, -0.0000204200000000 ] - [ 0.0007761500000000, 0.0004413300000000, -0.0021104800000000 ] - [ -0.0001046700000000, 0.0001982800000000, 0.0005842300000000 ] - [ -0.0005897000000000, -0.0006478400000000, 0.0015357100000000 ] - [ 0.0015555000000000, -0.0001584000000000, -0.0010372700000000 ] - [ 0.0017182000000000, -0.0018996700000000, -0.0007889500000000 ] - [ -0.0011899500000000, 0.0005221100000000, 0.0014987900000000 ] - [ -0.0034489400000000, 0.0005462000000000, 0.0011936600000000 ] - [ 0.0036193700000000, 0.0007391400000000, -0.0021445800000000 ] - [ 0.0025268500000000, 0.0027354700000000, -0.0090023100000000 ] - [ -0.0032053600000000, -0.0007553600000000, 0.0000087600000000 ] - [ -0.0001250100000000, 0.0006214700000000, 0.0029784100000000 ] - [ -0.0010272600000000, -0.0000587000000000, -0.0011208500000000 ] - [ 0.0025704000000000, 0.0018163900000000, -0.0001766500000000 ] - [ -0.0019280400000000, -0.0002348200000000, -0.0001895600000000 ] - [ 0.0004568100000000, 0.0001925200000000, 0.0010177800000000 ] - [ 0.0013046000000000, -0.0003222100000000, -0.0002262800000000 ] - [ 0.1218660600000000, -0.0592050900000000, -0.0473636900000000 ] - [ -0.0095087800000000, -0.0029675000000000, -0.0018935300000000 ] - [ 0.0143849700000000, -0.0020975200000000, -0.0037305900000000 ] - [ -0.0051836900000000, 0.0024087600000000, -0.0004246200000000 ] - [ -0.0017568100000000, -0.0007345900000000, 0.0012510300000000 ] - [ 0.0019529100000000, -0.0006566500000000, -0.0012952700000000 ] - [ 0.0104044700000000, -0.0009059500000000, -0.0065396300000000 ] - [ -0.0074676200000000, -0.0007813200000000, 0.0076756800000000 ] - [ -0.0003895900000000, -0.0001831200000000, 0.0011779600000000 ] - [ -0.0004263700000000, 0.0002190800000000, -0.0001681700000000 ] - [ 0.0022108000000000, 0.0004231100000000, 0.0006415900000000 ] - [ -0.0027126800000000, 0.0000957800000000, -0.0012316300000000 ] - [ 0.0118344900000000, -0.0006970300000000, -0.0010787100000000 ] - [ -0.0059515400000000, 0.0004499700000000, -0.0064348000000000 ] - [ 0.0005394700000000, 0.0005279600000000, 0.0043904500000000 ] - [ -0.0018002600000000, -0.0003172100000000, -0.0008073400000000 ] - [ 0.0018201500000000, -0.0001231200000000, 0.0015305800000000 ] - [ -0.0016702800000000, 0.0005237500000000, 0.0001305500000000 ]- atom: 49 displacement: [ -0.0099999278170813, 0.0000000000000000, 0.0000379954360843 ] forces: - [ 0.0009244800000000, 0.0008156000000000, 0.0001649800000000 ] - [ 0.0000297500000000, 0.0001835100000000, 0.0004962000000000 ] - [ -0.0009465200000000, 0.0017911800000000, 0.0013744800000000 ] - [ -0.0003534700000000, -0.0028236200000000, -0.0021123200000000 ] - [ 0.0036861100000000, 0.0000377700000000, -0.0004746700000000 ] - [ -0.0025696700000000, -0.0006252400000000, -0.0004733100000000 ] - [ -0.0001988700000000, -0.0009034100000000, 0.0000214200000000 ] - [ -0.0003783500000000, -0.0028563600000000, -0.0040815300000000 ] - [ 0.0020556000000000, -0.0005196400000000, -0.0010957800000000 ] - [ -0.0014345000000000, 0.0002398800000000, 0.0013123200000000 ] - [ 0.0002002900000000, 0.0006579000000000, 0.0009250100000000 ] - [ 0.0000790800000000, -0.0003211300000000, -0.0003329400000000 ] - [ 0.0041377200000000, 0.0015742300000000, -0.0001197700000000 ] - [ -0.0019579900000000, 0.0001493600000000, 0.0000080600000000 ] - [ -0.0032092100000000, -0.0039566600000000, 0.0005933100000000 ] - [ -0.0005926800000000, 0.0000126300000000, -0.0027570600000000 ] - [ 0.0004615200000000, -0.0001847400000000, 0.0013691700000000 ] - [ -0.0009025800000000, 0.0016541700000000, -0.0033645600000000 ] - [ 0.0007236300000000, 0.0005019800000000, 0.0000642400000000 ] - [ -0.0013422800000000, 0.0004088800000000, 0.0007388900000000 ] - [ -0.0038942200000000, 0.0026790100000000, 0.0011785300000000 ] - [ -0.0000013900000000, -0.0007224500000000, -0.0030569600000000 ] - [ 0.0040065800000000, -0.0013310700000000, -0.0019940900000000 ] - [ -0.0016562500000000, -0.0005175600000000, 0.0000561800000000 ] - [ -0.0004228400000000, -0.0017679100000000, 0.0073415000000000 ] - [ 0.0001311000000000, 0.0003872500000000, -0.0010956600000000 ] - [ 0.0028778900000000, 0.0016214600000000, 0.0000337000000000 ] - [ -0.0020838300000000, 0.0002866900000000, -0.0007085600000000 ] - [ -0.0001240400000000, -0.0002415400000000, 0.0005081600000000 ] - [ -0.0001680200000000, -0.0001890400000000, -0.0004855500000000 ] - [ 0.0049368400000000, 0.0054465600000000, 0.0158544800000000 ] - [ -0.0034045600000000, -0.0002507500000000, -0.0014290700000000 ] - [ -0.0007798300000000, 0.0118212200000000, -0.0017965400000000 ] - [ -0.0017311500000000, -0.0008646000000000, 0.0000797700000000 ] - [ -0.0005222800000000, 0.0005164400000000, 0.0005805900000000 ] - [ 0.0005684400000000, 0.0000365900000000, -0.0004756600000000 ] - [ 0.0007207900000000, -0.0001696800000000, -0.0003877400000000 ] - [ -0.0008093300000000, -0.0001923300000000, 0.0003942200000000 ] - [ 0.0001042000000000, 0.0005358500000000, 0.0013508200000000 ] - [ 0.0001725200000000, -0.0004212400000000, -0.0004403900000000 ] - [ -0.0166737000000000, -0.0006233800000000, -0.0028993300000000 ] - [ -0.0403009500000000, 0.0015866400000000, 0.0105824500000000 ] - [ 0.0002915800000000, -0.0001607800000000, -0.0000213100000000 ] - [ -0.0005338200000000, -0.0002203300000000, -0.0001755800000000 ] - [ -0.0017108700000000, -0.0014251200000000, 0.0016746600000000 ] - [ -0.0002983900000000, 0.0019850400000000, -0.0003134800000000 ] - [ -0.0000576400000000, 0.0002004500000000, 0.0005544700000000 ] - [ 0.0006694700000000, -0.0001313400000000, 0.0007161600000000 ] - [ 0.2035243600000000, -0.0795124300000000, -0.0841249400000000 ] - [ -0.0069072900000000, -0.0001668400000000, 0.0003654900000000 ] - [ -0.0000457700000000, -0.0003395700000000, 0.0005382500000000 ] - [ 0.0002200800000000, -0.0001089400000000, -0.0008055900000000 ] - [ 0.0034614000000000, 0.0016844100000000, 0.0004370200000000 ] - [ -0.0020624500000000, -0.0003973600000000, -0.0001474200000000 ] - [ -0.0008633400000000, -0.0001645400000000, 0.0022654200000000 ] - [ 0.0000070600000000, 0.0000776600000000, -0.0004124800000000 ] - [ 0.0005644400000000, -0.0004364500000000, -0.0013771100000000 ] - [ -0.0015631300000000, -0.0009342900000000, 0.0012008100000000 ] - [ -0.0016860800000000, 0.0008078700000000, 0.0006315300000000 ] - [ 0.0011976700000000, -0.0016130300000000, -0.0016651200000000 ] - [ 0.0034613100000000, 0.0005462500000000, -0.0013459500000000 ] - [ -0.0036220100000000, 0.0003434500000000, 0.0019729600000000 ] - [ -0.0025562200000000, -0.0016225700000000, 0.0091060800000000 ] - [ 0.0031828300000000, 0.0018372400000000, 0.0001624800000000 ] - [ -0.0015657100000000, -0.0000803200000000, -0.0034690100000000 ] - [ -0.0006651600000000, 0.0005992700000000, 0.0006247700000000 ] - [ -0.0008536700000000, -0.0012691500000000, 0.0006703100000000 ] - [ 0.0036119000000000, 0.0007819300000000, 0.0006896100000000 ] - [ 0.0012364400000000, -0.0007300900000000, -0.0005109900000000 ] - [ 0.0003870000000000, -0.0002229400000000, 0.0007238100000000 ] - [ -0.1285009500000000, 0.0631845100000000, 0.0504427900000000 ] - [ 0.0078033000000000, 0.0023898400000000, 0.0013774900000000 ] - [ -0.0153663100000000, 0.0016073900000000, 0.0039101500000000 ] - [ 0.0043165600000000, -0.0025972600000000, 0.0006077000000000 ] - [ 0.0026104200000000, 0.0005033500000000, -0.0014206500000000 ] - [ -0.0010905700000000, 0.0004386200000000, 0.0011038100000000 ] - [ -0.0093343700000000, 0.0010783800000000, 0.0065946500000000 ] - [ 0.0083316200000000, 0.0010051300000000, -0.0079236800000000 ] - [ -0.0004720700000000, 0.0004080600000000, -0.0009957600000000 ] - [ -0.0004355300000000, 0.0000051800000000, 0.0003524400000000 ] - [ -0.0018773500000000, -0.0003495800000000, -0.0001954400000000 ] - [ 0.0030060900000000, -0.0000178700000000, 0.0016825700000000 ] - [ -0.0119197600000000, 0.0008392100000000, 0.0002206400000000 ] - [ 0.0056403700000000, -0.0003903500000000, 0.0060347700000000 ] - [ -0.0008539100000000, -0.0005858800000000, -0.0047882800000000 ] - [ 0.0015019400000000, 0.0002353300000000, 0.0003467300000000 ] - [ -0.0015215000000000, 0.0000490100000000, -0.0010730400000000 ] - [ 0.0019799900000000, -0.0005929800000000, 0.0003112800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002869900000000, 0.0003948800000000, -0.0001733100000000 ] - [ 0.0001753700000000, 0.0003676700000000, 0.0000753700000000 ] - [ -0.0013763000000000, 0.0007259100000000, 0.0000770600000000 ] - [ 0.0001971000000000, -0.0008519800000000, -0.0001063200000000 ] - [ -0.0010183700000000, -0.0030781800000000, -0.0005625500000000 ] - [ -0.0002357800000000, -0.0007580300000000, -0.0000790100000000 ] - [ -0.0000495400000000, 0.0002608600000000, 0.0004638300000000 ] - [ 0.0007312300000000, 0.0118552200000000, 0.0034513500000000 ] - [ 0.0007729800000000, -0.0009898200000000, -0.0001420800000000 ] - [ -0.0003740900000000, -0.0000552600000000, -0.0000276200000000 ] - [ 0.0002296000000000, 0.0009806700000000, 0.0001650600000000 ] - [ 0.0003201700000000, 0.0003476900000000, 0.0000104100000000 ] - [ -0.0007963600000000, 0.0019635800000000, 0.0067357300000000 ] - [ 0.0004769200000000, -0.0003373800000000, 0.0002518600000000 ] - [ 0.0006376400000000, 0.0007140100000000, -0.0005346500000000 ] - [ -0.0018692600000000, 0.0010841000000000, -0.0027656700000000 ] - [ 0.0003897900000000, -0.0005205900000000, -0.0000669200000000 ] - [ 0.0003095400000000, 0.0004251800000000, -0.0009135000000000 ] - [ 0.0001025800000000, 0.0010494800000000, 0.0002091900000000 ] - [ -0.0006986300000000, 0.0005832700000000, 0.0002079300000000 ] - [ -0.0001020100000000, -0.0019119700000000, 0.0006337300000000 ] - [ 0.0014916000000000, -0.0018139000000000, 0.0026488500000000 ] - [ 0.0010250300000000, 0.0030804100000000, -0.0036870200000000 ] - [ 0.0006241000000000, 0.0001244500000000, -0.0000711400000000 ] - [ 0.0002206900000000, 0.0007435700000000, -0.0009908800000000 ] - [ 0.0000474800000000, -0.0000522000000000, 0.0000749200000000 ] - [ -0.0033097500000000, 0.0053787200000000, 0.0002375800000000 ] - [ 0.0006566100000000, 0.0008086200000000, -0.0000183300000000 ] - [ -0.0000402000000000, -0.0001158100000000, -0.0004588600000000 ] - [ -0.0001025300000000, -0.0000608200000000, -0.0001339000000000 ] - [ -0.0067425800000000, -0.0053344800000000, 0.0161673800000000 ] - [ 0.0000259700000000, -0.0003691500000000, 0.0001958300000000 ] - [ -0.0181561100000000, 0.0235937200000000, -0.0038360200000000 ] - [ 0.0001758700000000, 0.0001404700000000, 0.0001485700000000 ] - [ 0.0000122800000000, 0.0000529900000000, -0.0000802600000000 ] - [ 0.0003431300000000, 0.0002423400000000, 0.0011010800000000 ] - [ -0.0000082400000000, 0.0024729800000000, -0.0006224000000000 ] - [ -0.0001841500000000, 0.0011387700000000, -0.0002372600000000 ] - [ -0.0000649800000000, -0.0003916800000000, -0.0000390200000000 ] - [ 0.0001465600000000, -0.0003882800000000, -0.0000085200000000 ] - [ 0.0006676800000000, -0.0030397600000000, 0.0007023300000000 ] - [ -0.0008793600000000, -0.0101719400000000, 0.0005440000000000 ] - [ -0.0000904500000000, 0.0005281600000000, -0.0000134300000000 ] - [ -0.0000144700000000, -0.0000152900000000, -0.0000831100000000 ] - [ 0.0034291800000000, 0.0005056900000000, -0.0033972600000000 ] - [ -0.0016528700000000, 0.0002974400000000, -0.0007157900000000 ] - [ 0.0003744500000000, 0.0001855100000000, 0.0003256300000000 ] - [ -0.0000778900000000, 0.0002145000000000, -0.0001467200000000 ] - [ 0.0787089900000000, -0.1192981800000000, -0.0511509700000000 ] - [ -0.0000130900000000, -0.0003622900000000, -0.0000411000000000 ] - [ -0.0001587200000000, 0.0001356500000000, 0.0001430800000000 ] - [ 0.0000698800000000, 0.0003947600000000, -0.0000146700000000 ] - [ -0.0015004900000000, 0.0033902600000000, -0.0049966000000000 ] - [ 0.0005641600000000, -0.0000346200000000, -0.0002714900000000 ] - [ -0.0003399700000000, 0.0003202600000000, 0.0003322500000000 ] - [ -0.0001015700000000, 0.0001553000000000, -0.0000788400000000 ] - [ 0.0000957600000000, -0.0002892900000000, 0.0001438200000000 ] - [ -0.0006012200000000, -0.0000950800000000, 0.0003638500000000 ] - [ -0.0008705900000000, -0.0013367000000000, -0.0003316000000000 ] - [ 0.0005026500000000, -0.0016015400000000, -0.0003164500000000 ] - [ -0.0003360300000000, 0.0009343000000000, -0.0001442100000000 ] - [ -0.0014691100000000, 0.0039874600000000, -0.0036047300000000 ] - [ 0.0037719800000000, -0.0113615600000000, 0.0161515200000000 ] - [ -0.0006259600000000, -0.0006615600000000, -0.0002138300000000 ] - [ -0.0005384900000000, 0.0007637000000000, 0.0003232800000000 ] - [ -0.0010235100000000, 0.0006474500000000, -0.0001419600000000 ] - [ 0.0039828500000000, -0.0042119400000000, 0.0029443400000000 ] - [ -0.0010845300000000, -0.0018849500000000, 0.0003091900000000 ] - [ 0.0008864300000000, -0.0002786500000000, 0.0003100800000000 ] - [ 0.0007729900000000, -0.0013297700000000, -0.0002157900000000 ] - [ -0.0582163900000000, 0.0825342200000000, 0.0330865600000000 ] - [ -0.0015068900000000, -0.0004148700000000, -0.0004497600000000 ] - [ 0.0008670200000000, 0.0039576100000000, -0.0043455100000000 ] - [ 0.0005449400000000, 0.0006212300000000, -0.0004930600000000 ] - [ -0.0000330700000000, -0.0004091000000000, -0.0000169300000000 ] - [ 0.0008194200000000, -0.0000348400000000, 0.0013854600000000 ] - [ -0.0017100300000000, 0.0111231200000000, 0.0001739800000000 ] - [ 0.0015887400000000, 0.0022304900000000, -0.0000665500000000 ] - [ -0.0003307800000000, -0.0004179100000000, -0.0000454500000000 ] - [ -0.0006068400000000, -0.0004004200000000, 0.0000706900000000 ] - [ 0.0013135600000000, -0.0042886300000000, -0.0018371900000000 ] - [ -0.0005604200000000, -0.0014178800000000, -0.0004600800000000 ] - [ 0.0008273800000000, 0.0082157500000000, -0.0005628700000000 ] - [ 0.0001573400000000, 0.0022358400000000, 0.0003199600000000 ] - [ 0.0001143200000000, -0.0008442100000000, -0.0039969500000000 ] - [ 0.0001332800000000, 0.0001279000000000, -0.0001976100000000 ] - [ -0.0007305500000000, -0.0005037300000000, 0.0026010200000000 ] - [ 0.0006099500000000, -0.0003019600000000, 0.0008189900000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004359200000000, 0.0004714300000000, 0.0005259800000000 ] - [ 0.0005436000000000, 0.0004955100000000, 0.0002749600000000 ] - [ 0.0006677100000000, 0.0001228900000000, -0.0004308500000000 ] - [ -0.0009224400000000, 0.0016926000000000, -0.0002506800000000 ] - [ 0.0003187500000000, 0.0022286500000000, 0.0002396500000000 ] - [ -0.0004851600000000, -0.0000994500000000, -0.0002716500000000 ] - [ 0.0007758900000000, -0.0011268400000000, -0.0001140700000000 ] - [ -0.0000306400000000, -0.0127878500000000, -0.0031776500000000 ] - [ -0.0011412600000000, 0.0013090000000000, -0.0000428500000000 ] - [ 0.0000089700000000, 0.0003635300000000, -0.0001516700000000 ] - [ 0.0001356100000000, -0.0006871200000000, 0.0000124700000000 ] - [ 0.0000470300000000, -0.0000475600000000, 0.0001675800000000 ] - [ 0.0011780600000000, -0.0022654800000000, -0.0066389300000000 ] - [ -0.0001186200000000, 0.0000403600000000, -0.0000785300000000 ] - [ -0.0010093800000000, -0.0010462700000000, 0.0003576700000000 ] - [ 0.0014871400000000, -0.0014182900000000, 0.0025702000000000 ] - [ 0.0005180500000000, 0.0011268400000000, -0.0001394800000000 ] - [ 0.0005882500000000, 0.0001833400000000, 0.0006835300000000 ] - [ -0.0010178400000000, -0.0004685200000000, -0.0000015800000000 ] - [ -0.0002113800000000, 0.0000049800000000, -0.0000015200000000 ] - [ -0.0008124500000000, 0.0013351700000000, -0.0004262200000000 ] - [ -0.0024198500000000, 0.0012516700000000, -0.0024754600000000 ] - [ -0.0001026500000000, -0.0036893100000000, 0.0034563700000000 ] - [ 0.0002791800000000, -0.0007274100000000, -0.0001354200000000 ] - [ 0.0000602000000000, -0.0002059500000000, 0.0013497200000000 ] - [ 0.0002309700000000, 0.0005992400000000, 0.0002474700000000 ] - [ 0.0030835900000000, -0.0048850900000000, -0.0005673300000000 ] - [ -0.0009594800000000, -0.0002595200000000, -0.0003069400000000 ] - [ -0.0002424400000000, -0.0004338200000000, 0.0001331700000000 ] - [ -0.0001800700000000, -0.0004872500000000, -0.0002001500000000 ] - [ 0.0070354200000000, 0.0046358500000000, -0.0159280300000000 ] - [ 0.0002524900000000, -0.0001854500000000, 0.0001253500000000 ] - [ 0.0178943200000000, -0.0230365200000000, 0.0040833700000000 ] - [ -0.0001506700000000, 0.0000656000000000, 0.0000687800000000 ] - [ -0.0000395700000000, 0.0001683600000000, -0.0001325200000000 ] - [ -0.0003715600000000, -0.0000218100000000, -0.0013255200000000 ] - [ -0.0000092100000000, -0.0027106500000000, 0.0004316600000000 ] - [ 0.0001527100000000, -0.0013718800000000, 0.0000354300000000 ] - [ 0.0000919600000000, 0.0001751000000000, 0.0002524600000000 ] - [ -0.0001207200000000, 0.0001690800000000, 0.0002159600000000 ] - [ -0.0006081000000000, 0.0027115900000000, -0.0004736200000000 ] - [ 0.0012321300000000, 0.0098476300000000, -0.0003548900000000 ] - [ -0.0000283500000000, -0.0008627100000000, -0.0002286600000000 ] - [ -0.0001064800000000, -0.0003187700000000, -0.0001531500000000 ] - [ -0.0035949800000000, -0.0001634500000000, 0.0032170200000000 ] - [ 0.0015508100000000, 0.0000527100000000, 0.0004958000000000 ] - [ -0.0002594800000000, 0.0001443100000000, -0.0000987700000000 ] - [ 0.0002028900000000, 0.0001136100000000, 0.0003781100000000 ] - [ -0.0752244100000000, 0.1185833400000000, 0.0496838500000000 ] - [ -0.0000742900000000, 0.0000815600000000, 0.0002127600000000 ] - [ 0.0002536100000000, -0.0004234700000000, -0.0003142400000000 ] - [ 0.0000210200000000, -0.0006811800000000, -0.0001603800000000 ] - [ 0.0016200800000000, -0.0031313800000000, 0.0049180600000000 ] - [ -0.0004855300000000, 0.0003285100000000, 0.0001137100000000 ] - [ 0.0002556900000000, -0.0000402700000000, -0.0001723200000000 ] - [ 0.0000099200000000, 0.0001259000000000, 0.0002394700000000 ] - [ -0.0001147000000000, -0.0008130100000000, -0.0000028100000000 ] - [ 0.0005741300000000, -0.0010154200000000, -0.0002119000000000 ] - [ 0.0008899000000000, 0.0002668400000000, 0.0001711100000000 ] - [ -0.0004795300000000, 0.0005235100000000, 0.0001640600000000 ] - [ 0.0003668400000000, 0.0001562600000000, 0.0000056700000000 ] - [ 0.0014874800000000, -0.0029404800000000, 0.0034857400000000 ] - [ -0.0037966600000000, 0.0124922800000000, -0.0159423100000000 ] - [ 0.0006110400000000, 0.0017751000000000, 0.0003534500000000 ] - [ -0.0011601300000000, -0.0002037400000000, -0.0008279600000000 ] - [ -0.0006611700000000, -0.0000833400000000, -0.0003462500000000 ] - [ -0.0023416700000000, 0.0047927200000000, -0.0024937100000000 ] - [ 0.0028105900000000, 0.0024583400000000, 0.0001715000000000 ] - [ 0.0008008100000000, -0.0002913100000000, 0.0001879800000000 ] - [ 0.0009169700000000, 0.0007698700000000, 0.0007212800000000 ] - [ 0.0535445900000000, -0.0818950200000000, -0.0318885700000000 ] - [ -0.0001670900000000, -0.0001219300000000, -0.0000430300000000 ] - [ -0.0021859600000000, -0.0049183900000000, 0.0045285700000000 ] - [ -0.0014033700000000, -0.0008690900000000, 0.0006619300000000 ] - [ 0.0008958000000000, 0.0001979700000000, -0.0001494700000000 ] - [ 0.0000310400000000, -0.0001641700000000, -0.0015441000000000 ] - [ 0.0025877600000000, -0.0109623700000000, -0.0003224600000000 ] - [ -0.0007531400000000, -0.0020463200000000, -0.0000734200000000 ] - [ -0.0005260900000000, 0.0006436900000000, 0.0002215200000000 ] - [ -0.0002466200000000, 0.0006243200000000, 0.0001045800000000 ] - [ -0.0010318800000000, 0.0043710400000000, 0.0023275600000000 ] - [ 0.0009021600000000, 0.0014844500000000, 0.0009412300000000 ] - [ -0.0011673600000000, -0.0081745100000000, 0.0000921500000000 ] - [ -0.0004619000000000, -0.0021726200000000, -0.0008096800000000 ] - [ -0.0004273400000000, 0.0007966800000000, 0.0035794400000000 ] - [ -0.0004388300000000, -0.0001882000000000, -0.0002514800000000 ] - [ 0.0010416900000000, 0.0004338400000000, -0.0021787400000000 ] - [ -0.0003023200000000, 0.0002279100000000, -0.0003693100000000 ]- atom: 49 displacement: [ -0.0038283560719029, 0.0000000000000000, 0.0092381648495101 ] forces: - [ 0.0007061400000000, -0.0008556200000000, 0.0014741000000000 ] - [ 0.0002871100000000, -0.0000731600000000, 0.0012939300000000 ] - [ -0.0029024900000000, 0.0016615600000000, 0.0005865200000000 ] - [ 0.0020073100000000, 0.0031439000000000, 0.0015381200000000 ] - [ 0.0053948900000000, -0.0009371900000000, 0.0062644200000000 ] - [ -0.0024812200000000, -0.0007869200000000, 0.0001124400000000 ] - [ -0.0008463700000000, -0.0016004900000000, -0.0013600100000000 ] - [ 0.0006178900000000, -0.0018103900000000, -0.0023991800000000 ] - [ 0.0009466100000000, -0.0015558200000000, 0.0026836200000000 ] - [ -0.0003892000000000, 0.0000174500000000, 0.0010033400000000 ] - [ -0.0007078500000000, 0.0009632200000000, 0.0010259000000000 ] - [ 0.0008956500000000, 0.0009187000000000, 0.0008207800000000 ] - [ 0.0030577100000000, 0.0069422600000000, 0.0035929400000000 ] - [ -0.0014666500000000, 0.0002756100000000, -0.0003384500000000 ] - [ -0.0054815800000000, -0.0062257200000000, -0.0001914900000000 ] - [ 0.0005326200000000, -0.0004262500000000, -0.0019308500000000 ] - [ -0.0009969600000000, -0.0005751900000000, 0.0015189200000000 ] - [ 0.0023950700000000, -0.0012424800000000, 0.0030373900000000 ] - [ 0.0006767700000000, 0.0018624300000000, 0.0012866400000000 ] - [ -0.0009102500000000, 0.0008041100000000, 0.0010111300000000 ] - [ -0.0062001500000000, 0.0045005300000000, 0.0004321200000000 ] - [ 0.0020636800000000, 0.0001900800000000, -0.0019244300000000 ] - [ 0.0036511600000000, -0.0031372300000000, -0.0011474700000000 ] - [ -0.0012142200000000, -0.0005780200000000, -0.0002691400000000 ] - [ -0.0012665400000000, -0.0029826800000000, 0.0114953400000000 ] - [ 0.0010545900000000, 0.0002762100000000, 0.0011680500000000 ] - [ 0.0007659500000000, 0.0011336300000000, -0.0040316100000000 ] - [ -0.0009788600000000, 0.0001392400000000, -0.0018941300000000 ] - [ -0.0004804800000000, -0.0005077900000000, 0.0020988900000000 ] - [ 0.0003492100000000, -0.0003171000000000, 0.0017785600000000 ] - [ -0.0150722800000000, 0.0171068500000000, 0.0388761700000000 ] - [ -0.0010888400000000, -0.0002136900000000, -0.0018524000000000 ] - [ 0.0001516700000000, 0.0051350900000000, -0.0090525800000000 ] - [ -0.0010673200000000, 0.0006264900000000, -0.0016447900000000 ] - [ -0.0006748400000000, 0.0009826100000000, 0.0015669500000000 ] - [ 0.0012254100000000, 0.0017294500000000, 0.0020032300000000 ] - [ 0.0006364300000000, 0.0006167400000000, -0.0014929500000000 ] - [ -0.0005853500000000, 0.0004940300000000, -0.0007203900000000 ] - [ -0.0000393100000000, 0.0011148700000000, 0.0027667600000000 ] - [ 0.0004040100000000, 0.0007091400000000, 0.0021470500000000 ] - [ -0.0056304900000000, 0.0001606000000000, -0.0078061600000000 ] - [ -0.0187143100000000, 0.0008647300000000, -0.0054312200000000 ] - [ 0.0000308300000000, -0.0000642300000000, 0.0015187300000000 ] - [ -0.0007198300000000, -0.0001962900000000, 0.0009825600000000 ] - [ -0.0006445900000000, -0.0009854000000000, -0.0012469100000000 ] - [ 0.0015137400000000, -0.0008984900000000, -0.0022545800000000 ] - [ 0.0001807400000000, 0.0004521700000000, 0.0025542900000000 ] - [ 0.0004742400000000, -0.0002654700000000, 0.0026108800000000 ] - [ 0.1544182800000000, -0.0782428400000000, -0.1474194600000000 ] - [ -0.0029362400000000, -0.0002643500000000, -0.0011527300000000 ] - [ -0.0005571100000000, -0.0004220200000000, 0.0017419600000000 ] - [ 0.0007796700000000, -0.0001913100000000, 0.0007535400000000 ] - [ 0.0008624000000000, -0.0038436000000000, -0.0009372600000000 ] - [ -0.0006983300000000, -0.0002436700000000, -0.0011199900000000 ] - [ -0.0023635100000000, -0.0002075600000000, 0.0048546400000000 ] - [ 0.0004395500000000, 0.0002599600000000, 0.0016330500000000 ] - [ 0.0009314400000000, -0.0006030600000000, -0.0030595300000000 ] - [ -0.0008827100000000, 0.0005828800000000, -0.0033148700000000 ] - [ -0.0016749900000000, -0.0030999600000000, -0.0003492100000000 ] - [ 0.0015702700000000, -0.0026614300000000, -0.0004165400000000 ] - [ 0.0043341000000000, 0.0002574200000000, -0.0026286200000000 ] - [ -0.0063354800000000, -0.0031606800000000, -0.0029117100000000 ] - [ -0.0036119900000000, 0.0008622800000000, 0.0073213300000000 ] - [ 0.0039369400000000, 0.0017349700000000, 0.0031340500000000 ] - [ -0.0008741100000000, 0.0000948600000000, -0.0066530100000000 ] - [ -0.0014421000000000, -0.0003849700000000, -0.0025057500000000 ] - [ -0.0007421100000000, 0.0007643400000000, 0.0054105500000000 ] - [ 0.0021086800000000, 0.0002811000000000, 0.0021703100000000 ] - [ 0.0015576400000000, -0.0008669100000000, -0.0022715500000000 ] - [ -0.0001818200000000, -0.0014830000000000, -0.0022793400000000 ] - [ -0.0958411300000000, 0.0550224500000000, 0.0856832100000000 ] - [ 0.0024068800000000, -0.0000164700000000, 0.0024729400000000 ] - [ -0.0078424400000000, 0.0011896900000000, 0.0126859000000000 ] - [ 0.0019437000000000, -0.0007013300000000, 0.0045737400000000 ] - [ 0.0036748100000000, 0.0011461300000000, -0.0037004200000000 ] - [ -0.0025981200000000, 0.0031234800000000, -0.0034214700000000 ] - [ -0.0114863100000000, 0.0029364300000000, 0.0082845000000000 ] - [ 0.0065644100000000, 0.0021981500000000, -0.0020972800000000 ] - [ 0.0000919900000000, 0.0006744100000000, -0.0033060000000000 ] - [ -0.0010976400000000, 0.0003634400000000, -0.0030122900000000 ] - [ 0.0007092700000000, -0.0012694400000000, 0.0005506700000000 ] - [ 0.0008087700000000, -0.0002448400000000, 0.0010104600000000 ] - [ -0.0079250700000000, 0.0012673700000000, 0.0101081400000000 ] - [ 0.0010476000000000, 0.0001934600000000, 0.0043955900000000 ] - [ 0.0025251700000000, -0.0032387400000000, -0.0118100500000000 ] - [ -0.0015534700000000, -0.0004726200000000, -0.0021520000000000 ] - [ 0.0012995900000000, 0.0013427800000000, -0.0020308900000000 ] - [ -0.0008259700000000, 0.0007371400000000, -0.0004956700000000 ]- atom: 49 displacement: [ 0.0038283560719029, 0.0000000000000000, -0.0092381648495101 ] forces: - [ 0.0000178400000000, 0.0017302700000000, -0.0011223000000000 ] - [ 0.0004335200000000, 0.0009488300000000, -0.0009441100000000 ] - [ 0.0021670900000000, -0.0007960700000000, -0.0009653600000000 ] - [ -0.0027345400000000, -0.0022877300000000, -0.0019147700000000 ] - [ -0.0062094700000000, 0.0000614700000000, -0.0066911700000000 ] - [ 0.0017886300000000, -0.0000862000000000, -0.0004708900000000 ] - [ 0.0015810800000000, 0.0007454400000000, 0.0017410000000000 ] - [ 0.0001145000000000, 0.0009765700000000, 0.0028359500000000 ] - [ -0.0012869700000000, 0.0018473400000000, -0.0028607900000000 ] - [ 0.0000366100000000, 0.0002843300000000, -0.0011848800000000 ] - [ 0.0010601200000000, -0.0006569600000000, -0.0008742900000000 ] - [ -0.0005455800000000, -0.0006195300000000, -0.0006666300000000 ] - [ -0.0027604600000000, -0.0073454500000000, -0.0034510700000000 ] - [ 0.0018498500000000, -0.0005871100000000, 0.0005118700000000 ] - [ 0.0051955400000000, 0.0060209900000000, 0.0000374400000000 ] - [ -0.0008754900000000, 0.0001379900000000, 0.0018097700000000 ] - [ 0.0018992600000000, 0.0011659200000000, -0.0017327500000000 ] - [ -0.0014929100000000, 0.0018407700000000, -0.0032495400000000 ] - [ -0.0015700800000000, -0.0012587500000000, -0.0010978700000000 ] - [ 0.0000079000000000, -0.0002085200000000, -0.0008239200000000 ] - [ 0.0053693100000000, -0.0051733300000000, -0.0002307500000000 ] - [ -0.0029762900000000, -0.0007988400000000, 0.0021700300000000 ] - [ -0.0027996900000000, 0.0025727800000000, 0.0009910600000000 ] - [ 0.0021452800000000, -0.0000091300000000, 0.0000774900000000 ] - [ 0.0015625800000000, 0.0035659100000000, -0.0113225300000000 ] - [ -0.0007740500000000, 0.0002643800000000, -0.0008559900000000 ] - [ -0.0010863000000000, -0.0005774500000000, 0.0037519000000000 ] - [ 0.0007160700000000, 0.0004022500000000, 0.0015975600000000 ] - [ 0.0002017300000000, -0.0000301600000000, -0.0024228300000000 ] - [ -0.0006341300000000, -0.0002231100000000, -0.0020951000000000 ] - [ 0.0150960200000000, -0.0172745200000000, -0.0379250900000000 ] - [ 0.0013817800000000, -0.0003307600000000, 0.0021615300000000 ] - [ -0.0000082800000000, -0.0050792900000000, 0.0092971800000000 ] - [ 0.0011048900000000, -0.0004043400000000, 0.0018938100000000 ] - [ 0.0006542200000000, -0.0007600100000000, -0.0018105500000000 ] - [ -0.0012652000000000, -0.0015081000000000, -0.0022396700000000 ] - [ -0.0006725600000000, -0.0008483500000000, 0.0012499500000000 ] - [ 0.0005635000000000, -0.0007198000000000, 0.0004790400000000 ] - [ 0.0000646500000000, -0.0013606100000000, -0.0025628000000000 ] - [ -0.0003731900000000, -0.0009452900000000, -0.0019247600000000 ] - [ 0.0057389300000000, -0.0004804100000000, 0.0081086200000000 ] - [ 0.0189017000000000, -0.0011581500000000, 0.0054978400000000 ] - [ -0.0001571000000000, -0.0002617000000000, -0.0017574500000000 ] - [ 0.0006061000000000, -0.0001270300000000, -0.0012205000000000 ] - [ 0.0005492400000000, 0.0013180200000000, 0.0009834800000000 ] - [ -0.0016535300000000, 0.0012256100000000, 0.0020232800000000 ] - [ -0.0000471600000000, -0.0001269800000000, -0.0023263400000000 ] - [ -0.0003666100000000, 0.0005980800000000, -0.0023972900000000 ] - [ -0.1507814700000000, 0.0738687900000000, 0.1464165900000000 ] - [ 0.0028544600000000, -0.0000122500000000, 0.0013314000000000 ] - [ 0.0006564100000000, 0.0001526900000000, -0.0019222800000000 ] - [ -0.0006872900000000, -0.0000830600000000, -0.0009187400000000 ] - [ -0.0007713700000000, 0.0041268900000000, 0.0007379200000000 ] - [ 0.0008115400000000, 0.0005213800000000, 0.0009486500000000 ] - [ 0.0022700700000000, 0.0004932800000000, -0.0047105300000000 ] - [ -0.0005380700000000, 0.0000158500000000, -0.0014693200000000 ] - [ -0.0009446700000000, -0.0004822400000000, 0.0032446900000000 ] - [ 0.0008620900000000, -0.0016755000000000, 0.0034895100000000 ] - [ 0.0016834500000000, 0.0020099000000000, 0.0002155400000000 ] - [ -0.0015569600000000, 0.0015660300000000, 0.0002772900000000 ] - [ -0.0043776900000000, 0.0008443000000000, 0.0024869600000000 ] - [ 0.0064149800000000, 0.0042926200000000, 0.0027384400000000 ] - [ 0.0036207800000000, 0.0002593000000000, -0.0073372300000000 ] - [ -0.0040029300000000, -0.0006617100000000, -0.0030156300000000 ] - [ -0.0008065900000000, 0.0004577000000000, 0.0062078700000000 ] - [ -0.0002596400000000, 0.0009349200000000, 0.0020072800000000 ] - [ 0.0024609300000000, -0.0002296900000000, -0.0049037400000000 ] - [ -0.0004495500000000, 0.0002529500000000, -0.0016743700000000 ] - [ 0.0001256000000000, 0.0003304500000000, 0.0027888000000000 ] - [ 0.0018863000000000, 0.0009422400000000, 0.0027903600000000 ] - [ 0.0894206300000000, -0.0518414400000000, -0.0843426400000000 ] - [ -0.0041038400000000, -0.0005134500000000, -0.0029809300000000 ] - [ 0.0070226700000000, -0.0014879100000000, -0.0126314500000000 ] - [ -0.0028258800000000, 0.0004815100000000, -0.0044428000000000 ] - [ -0.0028586800000000, -0.0013899500000000, 0.0035367100000000 ] - [ 0.0034961000000000, -0.0033791100000000, 0.0032391700000000 ] - [ 0.0125712200000000, -0.0027560300000000, -0.0081150900000000 ] - [ -0.0057378800000000, -0.0019689700000000, 0.0019695800000000 ] - [ -0.0009498800000000, -0.0004641900000000, 0.0035118100000000 ] - [ 0.0002300200000000, -0.0001463500000000, 0.0032041200000000 ] - [ -0.0003739800000000, 0.0013456400000000, -0.0001406800000000 ] - [ -0.0005354200000000, 0.0003137500000000, -0.0005889800000000 ] - [ 0.0084804300000000, -0.0010111500000000, -0.0116809800000000 ] - [ -0.0013950500000000, -0.0001366900000000, -0.0048979400000000 ] - [ -0.0028259300000000, 0.0031776200000000, 0.0113580900000000 ] - [ 0.0012593700000000, 0.0004083000000000, 0.0017197600000000 ] - [ -0.0009956700000000, -0.0014137900000000, 0.0025170300000000 ] - [ 0.0011330200000000, -0.0008059100000000, 0.0009589200000000 ]- atom: 57 displacement: [ 0.0099999278170813, 0.0000000000000000, -0.0000379954360843 ] forces: - [ -0.0049688800000000, 0.0004933200000000, -0.0014012700000000 ] - [ 0.0527928100000000, 0.0521641400000000, -0.0012325300000000 ] - [ 0.0061934900000000, -0.0020773200000000, 0.0008747700000000 ] - [ -0.0047570700000000, 0.0003087700000000, -0.0019462800000000 ] - [ 0.0001007800000000, -0.0004854500000000, 0.0005005200000000 ] - [ -0.0007548400000000, -0.0005723600000000, -0.0008132500000000 ] - [ 0.0002588700000000, -0.0005377200000000, -0.0002491400000000 ] - [ 0.0004733700000000, -0.0000962600000000, 0.0007553300000000 ] - [ -0.0083767800000000, -0.0000761600000000, 0.0005897300000000 ] - [ 0.1500111200000000, -0.0606358700000000, 0.0675657000000000 ] - [ 0.0058083400000000, 0.0015951500000000, -0.0008712500000000 ] - [ -0.0046975200000000, -0.0009915000000000, -0.0000864900000000 ] - [ 0.0004925600000000, -0.0001595400000000, 0.0009689600000000 ] - [ -0.0001991000000000, -0.0000711800000000, -0.0007438500000000 ] - [ -0.0002639300000000, -0.0002618200000000, -0.0007103700000000 ] - [ -0.0002116300000000, -0.0000846600000000, 0.0004894100000000 ] - [ 0.1712176100000000, 0.0240158500000000, -0.0823159300000000 ] - [ -0.0084576000000000, 0.0003390700000000, -0.0004296800000000 ] - [ -0.0052446200000000, 0.0002620200000000, 0.0005903900000000 ] - [ 0.0036062400000000, 0.0003277600000000, -0.0013093700000000 ] - [ -0.0002771700000000, -0.0003141900000000, -0.0008539100000000 ] - [ -0.0006496700000000, -0.0002578700000000, 0.0010646000000000 ] - [ 0.0005392100000000, -0.0002529300000000, 0.0005295400000000 ] - [ 0.0003849700000000, -0.0003480500000000, -0.0006991300000000 ] - [ 0.0002022200000000, -0.0007321800000000, -0.0009417400000000 ] - [ -0.0008919200000000, 0.0000395700000000, 0.0007387200000000 ] - [ -0.0010241300000000, 0.0005580900000000, 0.0002992000000000 ] - [ 0.0015151100000000, 0.0001858900000000, -0.0005392300000000 ] - [ 0.0004418100000000, 0.0056015400000000, -0.0051155400000000 ] - [ -0.0025779500000000, -0.0028056000000000, 0.0025155900000000 ] - [ -0.0018160100000000, -0.0010463400000000, 0.0032694300000000 ] - [ 0.0002960400000000, 0.0006728300000000, -0.0071250500000000 ] - [ 0.0001264800000000, -0.0003575100000000, 0.0010442300000000 ] - [ -0.0001424500000000, 0.0009234300000000, -0.0015180400000000 ] - [ -0.0005683000000000, -0.0000452000000000, -0.0024941900000000 ] - [ -0.0002246000000000, 0.0004213400000000, 0.0022968800000000 ] - [ -0.0013224900000000, 0.0004580600000000, -0.0004440000000000 ] - [ 0.0017820800000000, -0.0003538600000000, -0.0003461000000000 ] - [ 0.0319786800000000, 0.0085281100000000, 0.0230576300000000 ] - [ -0.0022938600000000, -0.0004382400000000, -0.0001710200000000 ] - [ -0.0009789000000000, -0.0005908800000000, -0.0009182900000000 ] - [ 0.0014460000000000, 0.0000095600000000, 0.0001617700000000 ] - [ 0.0001962600000000, -0.0007987000000000, 0.0014307400000000 ] - [ -0.0016493500000000, 0.0004797400000000, -0.0011988700000000 ] - [ 0.0028991600000000, 0.0024752600000000, 0.0053926300000000 ] - [ -0.0023009700000000, 0.0001132500000000, -0.0016604500000000 ] - [ -0.0022446300000000, -0.0000768200000000, -0.0008527700000000 ] - [ 0.0040754300000000, -0.0015789800000000, 0.0036912900000000 ] - [ -0.0006253600000000, -0.0000304900000000, 0.0008767900000000 ] - [ 0.0015162400000000, -0.0007245200000000, -0.0001991100000000 ] - [ 0.0017533900000000, 0.0007489800000000, -0.0012049700000000 ] - [ -0.0011499100000000, -0.0006259000000000, 0.0011046600000000 ] - [ -0.0034019500000000, -0.0002161600000000, 0.0032104900000000 ] - [ 0.0036413500000000, -0.0013324000000000, -0.0054788800000000 ] - [ 0.0025367200000000, -0.0035777900000000, -0.0027963100000000 ] - [ -0.0032326800000000, 0.0007500100000000, 0.0030548800000000 ] - [ -0.4286905400000000, -0.0274718700000000, -0.0043903800000000 ] - [ 0.0097860200000000, -0.0003200100000000, -0.0002663600000000 ] - [ 0.0056188600000000, -0.0014251400000000, 0.0001634900000000 ] - [ -0.0061790600000000, 0.0007519100000000, 0.0016593800000000 ] - [ 0.0003436700000000, 0.0012121700000000, 0.0023600500000000 ] - [ -0.0003602400000000, -0.0001993800000000, -0.0025413600000000 ] - [ 0.0000153600000000, 0.0004576400000000, -0.0008856400000000 ] - [ 0.0000744400000000, 0.0003771600000000, 0.0012339700000000 ] - [ -0.0064892400000000, 0.0082046600000000, 0.0022544500000000 ] - [ 0.0030303600000000, 0.0008079000000000, -0.0007472000000000 ] - [ 0.0043712300000000, -0.0005692500000000, -0.0002036900000000 ] - [ -0.0061447300000000, -0.0001973600000000, 0.0008992300000000 ] - [ 0.0020653100000000, -0.0022050500000000, 0.0059238500000000 ] - [ 0.0019675800000000, 0.0015003800000000, -0.0035562700000000 ] - [ -0.0012996700000000, -0.0000261300000000, -0.0032456900000000 ] - [ -0.0004251100000000, 0.0000356200000000, 0.0043925800000000 ] - [ 0.0001594100000000, -0.0001931500000000, -0.0027927500000000 ] - [ -0.0001125700000000, 0.0001536600000000, 0.0024124800000000 ] - [ 0.0009915100000000, -0.0000516300000000, 0.0016907900000000 ] - [ 0.0006023200000000, 0.0002687800000000, -0.0024224400000000 ] - [ 0.0062558400000000, 0.0009410600000000, 0.0003598300000000 ] - [ -0.0274140000000000, 0.0036570500000000, -0.0017281700000000 ] - [ -0.0099200900000000, 0.0054866100000000, -0.0033695900000000 ] - [ 0.0050506300000000, -0.0008268700000000, 0.0002313800000000 ] - [ -0.0006401700000000, -0.0000840600000000, -0.0000345600000000 ] - [ 0.0008830300000000, -0.0001078300000000, 0.0000020600000000 ] - [ -0.0003631000000000, 0.0000765700000000, 0.0002663700000000 ] - [ 0.0001130100000000, 0.0001408400000000, -0.0003593300000000 ] - [ 0.0092437000000000, 0.0145938100000000, -0.0018844700000000 ] - [ 0.0149890700000000, -0.0207262500000000, 0.0012714900000000 ] - [ 0.0205879300000000, -0.0236204200000000, -0.0060819700000000 ] - [ 0.0209072100000000, 0.0204413200000000, 0.0099815200000000 ]- atom: 57 displacement: [ -0.0099999278170813, 0.0000000000000000, 0.0000379954360843 ] forces: - [ 0.0056913600000000, 0.0003801800000000, 0.0017620300000000 ] - [ -0.0514361300000000, -0.0510980200000000, 0.0015039400000000 ] - [ -0.0069096200000000, 0.0029388800000000, -0.0012188700000000 ] - [ 0.0040290100000000, 0.0005625700000000, 0.0015911700000000 ] - [ -0.0008289500000000, -0.0003863000000000, -0.0008603300000000 ] - [ 0.0000317700000000, -0.0003009800000000, 0.0004513200000000 ] - [ 0.0004644200000000, -0.0003324900000000, 0.0006059300000000 ] - [ 0.0002482800000000, -0.0007764400000000, -0.0003998800000000 ] - [ 0.0080169100000000, 0.0003669200000000, -0.0007354300000000 ] - [ -0.1565035800000000, 0.0652892500000000, -0.0728074500000000 ] - [ -0.0054347000000000, -0.0012912900000000, 0.0010390200000000 ] - [ 0.0050578400000000, 0.0013091600000000, 0.0002577700000000 ] - [ -0.0001398400000000, -0.0001423800000000, -0.0008055000000000 ] - [ 0.0005569200000000, -0.0002313500000000, 0.0009059300000000 ] - [ -0.0000911200000000, -0.0000369200000000, 0.0005431600000000 ] - [ -0.0001481500000000, -0.0002152600000000, -0.0006589300000000 ] - [ -0.1619892200000000, -0.0219017200000000, 0.0754306600000000 ] - [ 0.0093901000000000, 0.0002499800000000, 0.0002521000000000 ] - [ 0.0043457500000000, 0.0003344300000000, -0.0003895800000000 ] - [ -0.0045139700000000, 0.0002622800000000, 0.0014984400000000 ] - [ -0.0006171700000000, -0.0002822800000000, 0.0010441600000000 ] - [ -0.0002501100000000, -0.0003396400000000, -0.0008747200000000 ] - [ 0.0003556800000000, -0.0003397600000000, -0.0007226800000000 ] - [ 0.0005163300000000, -0.0002445300000000, 0.0005013400000000 ] - [ 0.0000955000000000, 0.0013013000000000, 0.0012973000000000 ] - [ 0.0011721200000000, 0.0004995300000000, -0.0004295200000000 ] - [ 0.0007432300000000, -0.0000168100000000, -0.0006137400000000 ] - [ -0.0017977900000000, 0.0003553200000000, 0.0002190300000000 ] - [ -0.0007280300000000, -0.0060786100000000, 0.0047632000000000 ] - [ 0.0023031100000000, 0.0022903100000000, -0.0028450000000000 ] - [ 0.0021125300000000, 0.0005144600000000, -0.0029582600000000 ] - [ -0.0000342000000000, -0.0011959500000000, 0.0074094000000000 ] - [ -0.0001022400000000, 0.0005768000000000, -0.0008363700000000 ] - [ 0.0001660500000000, -0.0007004400000000, 0.0017213600000000 ] - [ 0.0005455500000000, 0.0002566300000000, 0.0022634700000000 ] - [ 0.0001958500000000, -0.0002049700000000, -0.0025269500000000 ] - [ 0.0012988300000000, -0.0006754900000000, 0.0002360600000000 ] - [ -0.0018061800000000, 0.0001358300000000, 0.0001332100000000 ] - [ -0.0323741500000000, -0.0093081800000000, -0.0240091000000000 ] - [ 0.0023209700000000, 0.0002128000000000, 0.0003782600000000 ] - [ 0.0011009300000000, 0.0002654200000000, 0.0011528900000000 ] - [ -0.0013154000000000, -0.0003299200000000, 0.0000679000000000 ] - [ -0.0003389500000000, 0.0004817100000000, -0.0016651300000000 ] - [ 0.0015151700000000, -0.0007948700000000, 0.0009461200000000 ] - [ -0.0030246700000000, -0.0021625400000000, -0.0056267900000000 ] - [ 0.0021734800000000, 0.0002084000000000, 0.0014321800000000 ] - [ 0.0023738100000000, 0.0003953500000000, 0.0010866500000000 ] - [ -0.0039796700000000, 0.0019256900000000, -0.0034517100000000 ] - [ 0.0005278100000000, -0.0002448600000000, -0.0007042000000000 ] - [ -0.0016147000000000, 0.0004490900000000, 0.0003604800000000 ] - [ -0.0016382100000000, -0.0010134300000000, 0.0010245300000000 ] - [ 0.0012469300000000, 0.0003571800000000, -0.0012854000000000 ] - [ 0.0035016100000000, 0.0004887700000000, -0.0033754100000000 ] - [ -0.0035652200000000, 0.0016024300000000, 0.0053155300000000 ] - [ -0.0025997200000000, 0.0038718500000000, 0.0029617900000000 ] - [ 0.0031260300000000, -0.0004797700000000, -0.0028786800000000 ] - [ 0.4263645600000000, 0.0209805000000000, 0.0178000900000000 ] - [ -0.0098113200000000, -0.0007713400000000, 0.0004336000000000 ] - [ -0.0056021900000000, 0.0003293000000000, -0.0003339900000000 ] - [ 0.0061876900000000, -0.0018384300000000, -0.0018176500000000 ] - [ -0.0003288700000000, -0.0001164600000000, -0.0025011400000000 ] - [ 0.0003870000000000, 0.0012973600000000, 0.0023991300000000 ] - [ -0.0000366300000000, 0.0006352800000000, 0.0010473700000000 ] - [ -0.0000953500000000, 0.0007107300000000, -0.0010685200000000 ] - [ 0.0047637100000000, -0.0076823700000000, -0.0028146600000000 ] - [ -0.0047196200000000, -0.0002527700000000, 0.0002576800000000 ] - [ -0.0026806800000000, 0.0011117700000000, 0.0007039600000000 ] - [ 0.0078402700000000, 0.0007420400000000, -0.0003893400000000 ] - [ -0.0003770300000000, 0.0016543900000000, -0.0053638700000000 ] - [ -0.0002573600000000, -0.0020629300000000, 0.0040908500000000 ] - [ -0.0003949500000000, -0.0005191000000000, 0.0027513300000000 ] - [ -0.0012585600000000, -0.0005775400000000, -0.0048745900000000 ] - [ -0.0010259900000000, -0.0000244100000000, 0.0029815900000000 ] - [ -0.0007430500000000, -0.0003699200000000, -0.0022277500000000 ] - [ -0.0001490500000000, -0.0001788800000000, -0.0018685100000000 ] - [ 0.0002729500000000, -0.0004903900000000, 0.0022404400000000 ] - [ -0.0053998400000000, -0.0007074900000000, -0.0005600700000000 ] - [ 0.0282696200000000, -0.0034932600000000, 0.0017149900000000 ] - [ 0.0090337700000000, -0.0052487600000000, 0.0035438500000000 ] - [ -0.0059120500000000, 0.0010344800000000, -0.0000483700000000 ] - [ 0.0009508300000000, 0.0001610300000000, 0.0004765600000000 ] - [ -0.0005728900000000, 0.0001818200000000, 0.0004605700000000 ] - [ 0.0000602400000000, -0.0000045100000000, -0.0007245300000000 ] - [ -0.0004172400000000, -0.0000689100000000, -0.0000769300000000 ] - [ -0.0095384800000000, -0.0146161000000000, 0.0013961800000000 ] - [ -0.0152907700000000, 0.0207020000000000, -0.0017771600000000 ] - [ -0.0201877700000000, 0.0234631100000000, 0.0063904300000000 ] - [ -0.0207731400000000, -0.0207376000000000, -0.0097182400000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004593300000000, 0.0018089100000000, -0.0005646200000000 ] - [ 0.0515504200000000, 0.2232897800000000, -0.0110397900000000 ] - [ -0.0018714800000000, -0.0062522300000000, 0.0013912500000000 ] - [ 0.0008493000000000, -0.0007267700000000, 0.0000786700000000 ] - [ 0.0004058600000000, 0.0000065600000000, -0.0006440500000000 ] - [ -0.0007270300000000, -0.0000597400000000, -0.0003617900000000 ] - [ 0.0005383600000000, -0.0008493500000000, 0.0003322500000000 ] - [ 0.0005171600000000, -0.0005967900000000, 0.0003425400000000 ] - [ -0.0006716800000000, 0.0008000200000000, -0.0000871100000000 ] - [ -0.0660008900000000, 0.0747651200000000, -0.0406344600000000 ] - [ 0.0038080600000000, -0.0063556200000000, -0.0038731600000000 ] - [ -0.0010252400000000, -0.0029992600000000, -0.0002337300000000 ] - [ 0.0003099900000000, 0.0006611400000000, 0.0002236900000000 ] - [ -0.0000053000000000, 0.0003700300000000, 0.0000965800000000 ] - [ -0.0004400900000000, -0.0009786600000000, -0.0003290600000000 ] - [ -0.0001148200000000, -0.0006132300000000, -0.0001500600000000 ] - [ 0.0174056700000000, 0.0448399300000000, -0.0122658900000000 ] - [ 0.0017055100000000, 0.0040217700000000, 0.0000890000000000 ] - [ -0.0007969900000000, -0.0005808900000000, -0.0004542100000000 ] - [ -0.0027260100000000, -0.0089133800000000, -0.0029303400000000 ] - [ -0.0008347500000000, 0.0004075600000000, -0.0001747500000000 ] - [ -0.0005036500000000, 0.0002790600000000, 0.0004406000000000 ] - [ 0.0003853000000000, -0.0010704300000000, 0.0000237100000000 ] - [ 0.0001287100000000, -0.0008757800000000, -0.0000815100000000 ] - [ -0.0012921900000000, -0.0033741300000000, -0.0049087600000000 ] - [ 0.0002040500000000, 0.0003084800000000, 0.0001160000000000 ] - [ -0.0004662400000000, 0.0002668700000000, -0.0002942900000000 ] - [ -0.0000075900000000, 0.0002325000000000, -0.0007328600000000 ] - [ 0.0066762300000000, -0.0014199800000000, 0.0025998400000000 ] - [ -0.0072472400000000, -0.0025693500000000, 0.0033559200000000 ] - [ -0.0003589500000000, -0.0002370500000000, 0.0003713200000000 ] - [ 0.0014781800000000, -0.0017443600000000, 0.0031614900000000 ] - [ -0.0000812800000000, -0.0003745200000000, 0.0003496600000000 ] - [ 0.0001053800000000, -0.0007203200000000, 0.0008493500000000 ] - [ -0.0003927100000000, 0.0025123800000000, 0.0009375300000000 ] - [ 0.0000946500000000, 0.0025297200000000, 0.0016959700000000 ] - [ -0.0002224700000000, -0.0004559400000000, -0.0003476000000000 ] - [ 0.0002842900000000, -0.0013163900000000, -0.0011998300000000 ] - [ 0.0102386400000000, 0.0559537500000000, 0.0745127900000000 ] - [ 0.0000634600000000, 0.0004306400000000, 0.0001993800000000 ] - [ 0.0005496600000000, 0.0003336300000000, 0.0005261200000000 ] - [ -0.0012846800000000, -0.0003054500000000, 0.0015080100000000 ] - [ -0.0023205000000000, -0.0019518400000000, 0.0041001300000000 ] - [ 0.0009473200000000, -0.0008066600000000, 0.0017753400000000 ] - [ 0.0006590800000000, 0.0021790600000000, -0.0005702400000000 ] - [ -0.0012101400000000, 0.0008654800000000, -0.0019108900000000 ] - [ -0.0004832100000000, -0.0005934800000000, 0.0001802300000000 ] - [ 0.0023353400000000, -0.0111731500000000, -0.0027660000000000 ] - [ -0.0001526700000000, 0.0001264600000000, -0.0000200200000000 ] - [ 0.0003485700000000, 0.0003224200000000, 0.0014679800000000 ] - [ 0.0014125700000000, -0.0009358400000000, 0.0032379800000000 ] - [ -0.0010166700000000, -0.0012022400000000, 0.0017604000000000 ] - [ 0.0000427000000000, 0.0005261900000000, -0.0004058300000000 ] - [ 0.0002296800000000, 0.0035939900000000, -0.0040433700000000 ] - [ -0.0022313900000000, -0.0117877400000000, -0.0011717900000000 ] - [ 0.0012476700000000, -0.0010794100000000, -0.0006725000000000 ] - [ -0.0205855800000000, -0.4483465000000000, -0.0165024400000000 ] - [ 0.0002259900000000, -0.0024795200000000, 0.0007237600000000 ] - [ 0.0008884300000000, 0.0014980500000000, 0.0009129800000000 ] - [ -0.0012924600000000, 0.0102700600000000, 0.0045708600000000 ] - [ 0.0006660700000000, -0.0005893200000000, -0.0000184000000000 ] - [ -0.0007442900000000, -0.0013400600000000, -0.0008143900000000 ] - [ 0.0000814500000000, 0.0011371200000000, -0.0001873200000000 ] - [ 0.0001587700000000, 0.0014355800000000, -0.0002482600000000 ] - [ 0.0027236100000000, 0.0365739800000000, 0.0250666700000000 ] - [ -0.0012174400000000, -0.0001481300000000, -0.0001659100000000 ] - [ 0.0016580200000000, 0.0007352400000000, 0.0004746600000000 ] - [ -0.0004863300000000, 0.0005333800000000, 0.0032915400000000 ] - [ -0.0011424400000000, -0.0025033000000000, -0.0059413500000000 ] - [ 0.0044408100000000, -0.0010774100000000, -0.0063951600000000 ] - [ -0.0001030100000000, 0.0003435800000000, -0.0004562400000000 ] - [ -0.0016431500000000, 0.0000569400000000, -0.0026706600000000 ] - [ -0.0003079500000000, -0.0010248400000000, 0.0001836400000000 ] - [ -0.0002603100000000, -0.0013591300000000, 0.0010660500000000 ] - [ 0.0024742400000000, 0.0032324400000000, 0.0007863400000000 ] - [ -0.0012912300000000, 0.0033336600000000, 0.0015488900000000 ] - [ 0.0001560100000000, -0.0010190400000000, -0.0002210000000000 ] - [ 0.0045145900000000, -0.0040957700000000, -0.0174378800000000 ] - [ -0.0083194900000000, 0.0415323900000000, -0.0180572800000000 ] - [ 0.0008621600000000, 0.0027490400000000, 0.0001844900000000 ] - [ -0.0000662000000000, -0.0001273300000000, -0.0017226500000000 ] - [ 0.0003082900000000, 0.0000489700000000, -0.0007289500000000 ] - [ -0.0005190200000000, -0.0003752800000000, 0.0020358100000000 ] - [ 0.0000073600000000, -0.0000359300000000, -0.0007699300000000 ] - [ 0.0063376900000000, 0.0052938800000000, -0.0029660800000000 ] - [ -0.0120936600000000, 0.0168181700000000, -0.0026341400000000 ] - [ -0.0113785800000000, -0.0042433700000000, 0.0081401300000000 ] - [ 0.0254524100000000, -0.0053390400000000, 0.0160969800000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002586700000000, -0.0009482800000000, 0.0009222600000000 ] - [ -0.0558243300000000, -0.2382052800000000, 0.0124170400000000 ] - [ 0.0011478600000000, 0.0071000800000000, -0.0016867900000000 ] - [ -0.0015743600000000, 0.0016031200000000, -0.0004302500000000 ] - [ -0.0011320800000000, -0.0008716500000000, 0.0002932100000000 ] - [ 0.0000069400000000, -0.0008086500000000, 0.0000095000000000 ] - [ 0.0001840900000000, -0.0000193200000000, 0.0000201600000000 ] - [ 0.0002028400000000, -0.0002745400000000, 0.0000094700000000 ] - [ 0.0003151400000000, -0.0004877900000000, -0.0000841100000000 ] - [ 0.0638646100000000, -0.0744846600000000, 0.0393652000000000 ] - [ -0.0034632500000000, 0.0066651800000000, 0.0040460400000000 ] - [ 0.0013780200000000, 0.0032991100000000, 0.0004053900000000 ] - [ 0.0000463200000000, -0.0009637800000000, -0.0000513200000000 ] - [ 0.0003657100000000, -0.0006723800000000, 0.0000746000000000 ] - [ 0.0000842500000000, 0.0006786500000000, 0.0001582600000000 ] - [ -0.0002423100000000, 0.0003132600000000, -0.0000217800000000 ] - [ -0.0173848100000000, -0.0447404800000000, 0.0126444400000000 ] - [ -0.0008185500000000, -0.0034324900000000, -0.0002887800000000 ] - [ -0.0001134200000000, 0.0011682800000000, 0.0006573900000000 ] - [ 0.0018421200000000, 0.0094813900000000, 0.0031159300000000 ] - [ -0.0000648000000000, -0.0010014200000000, 0.0003770100000000 ] - [ -0.0004008800000000, -0.0008722500000000, -0.0002387200000000 ] - [ 0.0005136900000000, 0.0004784000000000, -0.0002236100000000 ] - [ 0.0007756200000000, 0.0002828500000000, -0.0001221100000000 ] - [ 0.0015844600000000, 0.0039772300000000, 0.0052602800000000 ] - [ 0.0000768000000000, 0.0002407400000000, 0.0001992700000000 ] - [ 0.0001855200000000, 0.0002786900000000, -0.0000224600000000 ] - [ -0.0002728500000000, 0.0003114400000000, 0.0004209700000000 ] - [ -0.0069991900000000, 0.0008885200000000, -0.0029502000000000 ] - [ 0.0069735500000000, 0.0020263700000000, -0.0036689300000000 ] - [ 0.0006323500000000, -0.0003001700000000, -0.0000496500000000 ] - [ -0.0011959700000000, 0.0012146400000000, -0.0028571200000000 ] - [ 0.0001057400000000, 0.0005945000000000, -0.0001353400000000 ] - [ -0.0000784500000000, 0.0009432200000000, -0.0006392900000000 ] - [ 0.0003705600000000, -0.0023048100000000, -0.0011526200000000 ] - [ -0.0001250000000000, -0.0023181700000000, -0.0019053700000000 ] - [ 0.0001954600000000, 0.0002362700000000, 0.0001368100000000 ] - [ -0.0003040200000000, 0.0010778300000000, 0.0010009000000000 ] - [ -0.0100296400000000, -0.0564518700000000, -0.0726645400000000 ] - [ -0.0000390900000000, -0.0006445100000000, 0.0000175200000000 ] - [ -0.0004252400000000, -0.0006631900000000, -0.0002914000000000 ] - [ 0.0014118400000000, -0.0000196000000000, -0.0012743200000000 ] - [ 0.0021990200000000, 0.0016210400000000, -0.0043364800000000 ] - [ -0.0010800100000000, 0.0004795300000000, -0.0020225600000000 ] - [ -0.0007896800000000, -0.0018633400000000, 0.0003331400000000 ] - [ 0.0010844400000000, -0.0005383600000000, 0.0016730500000000 ] - [ 0.0006028800000000, 0.0009249500000000, 0.0000518200000000 ] - [ -0.0022075200000000, 0.0115124800000000, 0.0029529100000000 ] - [ 0.0000532200000000, -0.0004053500000000, 0.0001916300000000 ] - [ -0.0004455900000000, -0.0006033700000000, -0.0013048200000000 ] - [ -0.0013104700000000, 0.0006597600000000, -0.0034148000000000 ] - [ 0.0011128100000000, 0.0009192700000000, -0.0019299000000000 ] - [ 0.0000534800000000, -0.0002473500000000, 0.0002352100000000 ] - [ -0.0001250700000000, -0.0033253500000000, 0.0038817100000000 ] - [ 0.0021310000000000, 0.0120675100000000, 0.0012863700000000 ] - [ -0.0013450000000000, 0.0013616200000000, 0.0008446900000000 ] - [ 0.0281223100000000, 0.4639808000000000, 0.0142839800000000 ] - [ -0.0002386000000000, 0.0013842500000000, -0.0005820800000000 ] - [ -0.0008608500000000, -0.0025991000000000, -0.0010655500000000 ] - [ 0.0012746100000000, -0.0113258300000000, -0.0047224300000000 ] - [ -0.0006466300000000, 0.0016895600000000, -0.0001322000000000 ] - [ 0.0007718300000000, 0.0024366200000000, 0.0006604800000000 ] - [ -0.0001029500000000, -0.0000328500000000, 0.0003325100000000 ] - [ -0.0001847100000000, -0.0003356100000000, 0.0003953700000000 ] - [ -0.0043828200000000, -0.0360663400000000, -0.0252848400000000 ] - [ -0.0004677800000000, 0.0006942700000000, -0.0003268300000000 ] - [ 0.0000321700000000, -0.0001774500000000, 0.0000193700000000 ] - [ 0.0021801500000000, 0.0000379500000000, -0.0028093100000000 ] - [ 0.0028309600000000, 0.0019665900000000, 0.0064779000000000 ] - [ -0.0027523800000000, 0.0005331000000000, 0.0068929000000000 ] - [ -0.0015822200000000, -0.0009068300000000, -0.0000460300000000 ] - [ -0.0000463000000000, -0.0006157100000000, 0.0021826600000000 ] - [ -0.0005480300000000, 0.0008044800000000, -0.0000112600000000 ] - [ -0.0006020000000000, 0.0011409400000000, -0.0008907900000000 ] - [ -0.0016222400000000, -0.0034692700000000, -0.0009432300000000 ] - [ 0.0021442700000000, -0.0035595000000000, -0.0017106100000000 ] - [ 0.0007088900000000, 0.0012393000000000, 0.0000536000000000 ] - [ -0.0036784700000000, 0.0041983000000000, 0.0172787200000000 ] - [ 0.0074079100000000, -0.0414396500000000, 0.0182940000000000 ] - [ -0.0017108500000000, -0.0025237600000000, -0.0000146100000000 ] - [ 0.0003778200000000, 0.0002000300000000, 0.0021807600000000 ] - [ 0.0000046400000000, 0.0000209100000000, 0.0011859900000000 ] - [ 0.0002112100000000, 0.0004394400000000, -0.0025050800000000 ] - [ -0.0003168400000000, 0.0000961600000000, 0.0003126700000000 ] - [ -0.0065547400000000, -0.0053615900000000, 0.0025007100000000 ] - [ 0.0117124700000000, -0.0169128100000000, 0.0021441300000000 ] - [ 0.0117699100000000, 0.0042371000000000, -0.0077241600000000 ] - [ -0.0252182100000000, 0.0052889600000000, -0.0156616400000000 ]- atom: 57 displacement: [ -0.0038283560719029, 0.0000000000000000, 0.0092381648495101 ] forces: - [ 0.0035520000000000, -0.0009432400000000, 0.0035019300000000 ] - [ -0.0206366300000000, -0.0319933300000000, 0.0357753000000000 ] - [ -0.0015625800000000, 0.0079498200000000, 0.0002811300000000 ] - [ 0.0004587000000000, 0.0009891100000000, 0.0001043500000000 ] - [ 0.0006532500000000, -0.0002697900000000, -0.0027165700000000 ] - [ -0.0019330000000000, 0.0000217600000000, -0.0018837100000000 ] - [ -0.0004269400000000, -0.0012793700000000, -0.0013988500000000 ] - [ 0.0004397000000000, -0.0013281300000000, -0.0015485800000000 ] - [ 0.0059634900000000, 0.0009653400000000, 0.0007574000000000 ] - [ 0.0089235000000000, -0.0113731300000000, 0.0536594900000000 ] - [ -0.0033320100000000, -0.0003923500000000, 0.0040270300000000 ] - [ 0.0009768900000000, 0.0011393700000000, 0.0011108600000000 ] - [ 0.0006943000000000, 0.0004637800000000, -0.0028165900000000 ] - [ -0.0005919400000000, 0.0002345500000000, -0.0017625000000000 ] - [ -0.0012224900000000, -0.0010390000000000, -0.0021537000000000 ] - [ 0.0003455800000000, -0.0003270900000000, -0.0018744800000000 ] - [ -0.1356064000000000, -0.0215416600000000, 0.1140076000000000 ] - [ 0.0014994400000000, -0.0008045600000000, 0.0008428500000000 ] - [ 0.0022934200000000, 0.0004152200000000, 0.0010674600000000 ] - [ -0.0011166000000000, 0.0031782800000000, 0.0040567900000000 ] - [ -0.0013104400000000, 0.0002501300000000, -0.0022494300000000 ] - [ 0.0006497100000000, -0.0001426000000000, -0.0024657300000000 ] - [ 0.0013097000000000, -0.0007814800000000, -0.0021515300000000 ] - [ -0.0000405300000000, -0.0006980300000000, -0.0015381200000000 ] - [ -0.0021469900000000, -0.0061675200000000, -0.0103621300000000 ] - [ 0.0011432900000000, 0.0006345100000000, 0.0003092900000000 ] - [ 0.0004657600000000, -0.0003195400000000, -0.0029127400000000 ] - [ -0.0010229700000000, -0.0003951900000000, -0.0037299700000000 ] - [ -0.0036083800000000, -0.0016512300000000, 0.0066595800000000 ] - [ 0.0020190000000000, 0.0009821400000000, 0.0022281900000000 ] - [ 0.0020640700000000, 0.0006207300000000, -0.0024951000000000 ] - [ -0.0024067300000000, 0.0005912400000000, 0.0001034600000000 ] - [ 0.0002517400000000, 0.0013821300000000, -0.0021476900000000 ] - [ -0.0004956200000000, 0.0011746100000000, -0.0016744000000000 ] - [ -0.0022371400000000, 0.0015169300000000, -0.0014426400000000 ] - [ 0.0022607400000000, 0.0013462100000000, -0.0028805500000000 ] - [ 0.0004920800000000, -0.0001488100000000, -0.0006033500000000 ] - [ -0.0009166200000000, -0.0001386800000000, -0.0000986100000000 ] - [ 0.0107389300000000, 0.0614710700000000, 0.1855436000000000 ] - [ 0.0010216900000000, 0.0010461000000000, 0.0026832100000000 ] - [ -0.0005504300000000, -0.0001041300000000, -0.0018060300000000 ] - [ 0.0017664600000000, 0.0004508200000000, -0.0033787900000000 ] - [ 0.0011322900000000, 0.0006653700000000, -0.0011018700000000 ] - [ -0.0012114400000000, -0.0000134400000000, 0.0006756500000000 ] - [ 0.0001046800000000, -0.0028347600000000, -0.0063843600000000 ] - [ 0.0006173500000000, -0.0001111300000000, -0.0005168900000000 ] - [ -0.0005109000000000, 0.0004520300000000, 0.0024719000000000 ] - [ 0.0076690900000000, -0.0135835400000000, -0.0000576900000000 ] - [ 0.0015068300000000, -0.0001042500000000, -0.0028072200000000 ] - [ -0.0016840400000000, 0.0003581100000000, -0.0036265300000000 ] - [ -0.0012637200000000, -0.0002316000000000, -0.0002135300000000 ] - [ 0.0019684600000000, 0.0002864500000000, -0.0002904700000000 ] - [ 0.0025266300000000, 0.0001951400000000, -0.0034294500000000 ] - [ -0.0032349600000000, -0.0025689100000000, -0.0016368000000000 ] - [ -0.0093660800000000, -0.0132500100000000, 0.0050549900000000 ] - [ 0.0011140900000000, 0.0001541800000000, 0.0020100300000000 ] - [ 0.1454736900000000, -0.0090561300000000, -0.4283349700000000 ] - [ -0.0040913700000000, -0.0000191400000000, -0.0045124000000000 ] - [ -0.0019201300000000, -0.0011116300000000, 0.0000025600000000 ] - [ 0.0039469900000000, -0.0053134900000000, -0.0036384900000000 ] - [ 0.0021298100000000, 0.0003368300000000, 0.0037866900000000 ] - [ -0.0021190200000000, 0.0001482200000000, 0.0056021900000000 ] - [ -0.0008853500000000, 0.0008101900000000, 0.0035154500000000 ] - [ 0.0010428000000000, 0.0009015100000000, 0.0030033200000000 ] - [ 0.0038742400000000, 0.0501221600000000, 0.0222105800000000 ] - [ -0.0016586900000000, -0.0007224300000000, -0.0018276900000000 ] - [ -0.0008211900000000, 0.0012070900000000, 0.0028130900000000 ] - [ 0.0035464100000000, 0.0035142500000000, 0.0041310800000000 ] - [ 0.0035369900000000, -0.0030290300000000, -0.0025641000000000 ] - [ -0.0034268800000000, -0.0040463000000000, -0.0001094400000000 ] - [ -0.0024401700000000, -0.0012921100000000, 0.0035534300000000 ] - [ 0.0006649400000000, -0.0013557100000000, 0.0020546700000000 ] - [ -0.0024648000000000, 0.0003833600000000, 0.0064178500000000 ] - [ 0.0013396800000000, 0.0003846400000000, 0.0043656600000000 ] - [ 0.0058212900000000, 0.0020473600000000, 0.0020859500000000 ] - [ -0.0049686300000000, 0.0013297500000000, 0.0039608100000000 ] - [ -0.0018313600000000, -0.0000607800000000, 0.0020749000000000 ] - [ 0.0110350700000000, -0.0137477700000000, 0.0394712700000000 ] - [ 0.0036465100000000, -0.0044765900000000, -0.0038847000000000 ] - [ -0.0023751000000000, 0.0011013300000000, -0.0042379200000000 ] - [ 0.0004098600000000, -0.0001003700000000, 0.0047544500000000 ] - [ -0.0000653800000000, 0.0003533700000000, 0.0033198900000000 ] - [ -0.0005176700000000, -0.0007724200000000, 0.0078903900000000 ] - [ -0.0001499700000000, -0.0002947100000000, 0.0036978700000000 ] - [ -0.0055175600000000, -0.0128593600000000, -0.0090171700000000 ] - [ -0.0012045200000000, -0.0029158700000000, -0.0080793300000000 ] - [ -0.0171026800000000, 0.0216676200000000, -0.0021510700000000 ] - [ -0.0010951000000000, 0.0024675200000000, -0.0091302900000000 ]- atom: 57 displacement: [ 0.0038283560719029, 0.0000000000000000, -0.0092381648495101 ] forces: - [ -0.0028236900000000, 0.0018059100000000, -0.0031314600000000 ] - [ 0.0218386300000000, 0.0338727900000000, -0.0358059800000000 ] - [ 0.0008376200000000, -0.0071252500000000, -0.0006672600000000 ] - [ -0.0011877900000000, -0.0001195900000000, -0.0004776400000000 ] - [ -0.0013803800000000, -0.0006095600000000, 0.0023447300000000 ] - [ 0.0012111200000000, -0.0008946100000000, 0.0015248000000000 ] - [ 0.0011524600000000, 0.0004131200000000, 0.0017649500000000 ] - [ 0.0002830300000000, 0.0004609400000000, 0.0019124000000000 ] - [ -0.0062955300000000, -0.0006637600000000, -0.0009184700000000 ] - [ -0.0087197500000000, 0.0113305200000000, -0.0530283100000000 ] - [ 0.0036805700000000, 0.0006850000000000, -0.0038748400000000 ] - [ -0.0006329000000000, -0.0008409700000000, -0.0009426900000000 ] - [ -0.0003467500000000, -0.0007641000000000, 0.0029731100000000 ] - [ 0.0009484300000000, -0.0005376300000000, 0.0019319200000000 ] - [ 0.0008721400000000, 0.0007398700000000, 0.0019946100000000 ] - [ -0.0006981700000000, 0.0000260100000000, 0.0017090000000000 ] - [ 0.1456951000000000, 0.0236216900000000, -0.1192930200000000 ] - [ -0.0006073000000000, 0.0013994600000000, -0.0010353300000000 ] - [ -0.0031876000000000, 0.0001803100000000, -0.0008724700000000 ] - [ 0.0002221100000000, -0.0025978000000000, -0.0038751300000000 ] - [ 0.0004115300000000, -0.0008463900000000, 0.0024460500000000 ] - [ -0.0015442200000000, -0.0004553700000000, 0.0026545700000000 ] - [ -0.0004151000000000, 0.0001879400000000, 0.0019563000000000 ] - [ 0.0009415200000000, 0.0001055900000000, 0.0013471700000000 ] - [ 0.0024219100000000, 0.0067436700000000, 0.0107376800000000 ] - [ -0.0008541400000000, -0.0000981500000000, 0.0000070700000000 ] - [ -0.0007531600000000, 0.0008583500000000, 0.0025980900000000 ] - [ 0.0007421200000000, 0.0009361300000000, 0.0034313800000000 ] - [ 0.0033382800000000, 0.0011036600000000, -0.0069559600000000 ] - [ -0.0022956600000000, -0.0015065300000000, -0.0025151700000000 ] - [ -0.0017827100000000, -0.0011570500000000, 0.0027864900000000 ] - [ 0.0027107700000000, -0.0011399600000000, 0.0001949800000000 ] - [ -0.0002248100000000, -0.0011393000000000, 0.0023864800000000 ] - [ 0.0005278400000000, -0.0009356100000000, 0.0019187100000000 ] - [ 0.0022024900000000, -0.0012700600000000, 0.0012063700000000 ] - [ -0.0022728300000000, -0.0010886200000000, 0.0026149800000000 ] - [ -0.0005232000000000, -0.0000907100000000, 0.0003532300000000 ] - [ 0.0008875900000000, -0.0000939400000000, -0.0001536700000000 ] - [ -0.0085439100000000, -0.0570991100000000, -0.1766238300000000 ] - [ -0.0009861800000000, -0.0012866900000000, -0.0024319100000000 ] - [ 0.0006831100000000, -0.0002173400000000, 0.0020408900000000 ] - [ -0.0016554700000000, -0.0007802500000000, 0.0036214100000000 ] - [ -0.0012631500000000, -0.0009708500000000, 0.0008716600000000 ] - [ 0.0010895000000000, -0.0003076100000000, -0.0009054200000000 ] - [ -0.0002407800000000, 0.0031770700000000, 0.0061727600000000 ] - [ -0.0007432100000000, 0.0004330900000000, 0.0002674900000000 ] - [ 0.0006420400000000, -0.0001308700000000, -0.0022267500000000 ] - [ -0.0075570700000000, 0.0138678000000000, 0.0002956300000000 ] - [ -0.0016132400000000, -0.0001721300000000, 0.0029756900000000 ] - [ 0.0015948600000000, -0.0006367800000000, 0.0038100200000000 ] - [ 0.0013617200000000, -0.0000360600000000, 0.0000507800000000 ] - [ -0.0018588100000000, -0.0005507300000000, 0.0001182200000000 ] - [ -0.0024296300000000, 0.0000777400000000, 0.0032449800000000 ] - [ 0.0033625400000000, 0.0028616700000000, 0.0014670200000000 ] - [ 0.0092606600000000, 0.0135150600000000, -0.0048860000000000 ] - [ -0.0012139300000000, 0.0001170600000000, -0.0018215700000000 ] - [ -0.1581481500000000, 0.0008411500000000, 0.4247790400000000 ] - [ 0.0040774300000000, -0.0010564600000000, 0.0046749400000000 ] - [ 0.0019311700000000, 0.0000303900000000, -0.0001732100000000 ] - [ -0.0039530200000000, 0.0042435600000000, 0.0034902700000000 ] - [ -0.0021212500000000, 0.0007454200000000, -0.0039726300000000 ] - [ 0.0021299300000000, 0.0009439700000000, -0.0057450500000000 ] - [ 0.0008789500000000, 0.0002744300000000, -0.0033368500000000 ] - [ -0.0010574200000000, 0.0001829900000000, -0.0028248600000000 ] - [ -0.0054425300000000, -0.0494205900000000, -0.0225581700000000 ] - [ -0.0000421500000000, 0.0012473600000000, 0.0013095300000000 ] - [ 0.0025174700000000, -0.0006834200000000, -0.0022909800000000 ] - [ -0.0018527900000000, -0.0030183900000000, -0.0036344600000000 ] - [ -0.0018425800000000, 0.0024969300000000, 0.0030489300000000 ] - [ 0.0051082000000000, 0.0034736700000000, 0.0006113700000000 ] - [ 0.0007559900000000, 0.0007693600000000, -0.0040512800000000 ] - [ -0.0023664300000000, 0.0008323700000000, -0.0025615700000000 ] - [ 0.0016212500000000, -0.0006166900000000, -0.0062420000000000 ] - [ -0.0022085000000000, -0.0006160700000000, -0.0041967000000000 ] - [ -0.0049754400000000, -0.0022852100000000, -0.0022730700000000 ] - [ 0.0058226400000000, -0.0015544600000000, -0.0041361700000000 ] - [ 0.0026835100000000, 0.0002935300000000, -0.0022281800000000 ] - [ -0.0102167700000000, 0.0142103700000000, -0.0401698000000000 ] - [ -0.0044861400000000, 0.0047268300000000, 0.0040147300000000 ] - [ 0.0015059700000000, -0.0008663800000000, 0.0043962800000000 ] - [ -0.0000913400000000, 0.0001632200000000, -0.0043038300000000 ] - [ 0.0003677000000000, -0.0002863400000000, -0.0028728400000000 ] - [ 0.0002186600000000, 0.0008474300000000, -0.0083495100000000 ] - [ -0.0001590100000000, 0.0003651600000000, -0.0041526700000000 ] - [ 0.0052162300000000, 0.0127739100000000, 0.0085853000000000 ] - [ 0.0009283600000000, 0.0028263100000000, 0.0076264600000000 ] - [ 0.0174727100000000, -0.0217452300000000, 0.0026389400000000 ] - [ 0.0014587000000000, -0.0024961900000000, 0.0096092700000000 ]- atom: 65 displacement: [ 0.0099999278170813, 0.0000000000000000, -0.0000379954360843 ] forces: - [ -0.0011165700000000, 0.0008486200000000, -0.0003010600000000 ] - [ 0.0010388000000000, 0.0000283600000000, 0.0012359400000000 ] - [ 0.0034038500000000, 0.0005627900000000, 0.0024027600000000 ] - [ -0.0037422800000000, 0.0005847600000000, -0.0016331100000000 ] - [ 0.0016086600000000, -0.0036617100000000, 0.0060834800000000 ] - [ -0.0026328400000000, 0.0020133700000000, -0.0032936300000000 ] - [ 0.0005651700000000, -0.0010693100000000, -0.0003120100000000 ] - [ 0.0002532400000000, 0.0000954300000000, 0.0006733000000000 ] - [ -0.0033312300000000, 0.0026776900000000, 0.0004039700000000 ] - [ 0.0028170600000000, -0.0038735500000000, -0.0026178700000000 ] - [ 0.0027146900000000, -0.0027661300000000, 0.0025976500000000 ] - [ -0.0019728300000000, 0.0007660000000000, -0.0004915200000000 ] - [ 0.0017154600000000, -0.0011585900000000, 0.0015935600000000 ] - [ -0.0011526600000000, 0.0007085000000000, -0.0009150800000000 ] - [ 0.0001199000000000, -0.0008091700000000, -0.0022990200000000 ] - [ -0.0019966500000000, 0.0000423700000000, 0.0030640400000000 ] - [ 0.0037012900000000, 0.0019651400000000, -0.0008503400000000 ] - [ -0.0018224100000000, -0.0002811400000000, -0.0005358700000000 ] - [ -0.0039147900000000, -0.0016219100000000, 0.0007763800000000 ] - [ 0.0035229200000000, 0.0036215300000000, -0.0042148800000000 ] - [ -0.0002065800000000, 0.0005840200000000, -0.0012240100000000 ] - [ -0.0017354900000000, -0.0008555800000000, 0.0014220700000000 ] - [ 0.0026258600000000, 0.0002658100000000, 0.0020779800000000 ] - [ -0.0015224200000000, -0.0014495600000000, -0.0024768300000000 ] - [ 0.0483028700000000, 0.0011941400000000, 0.0403257700000000 ] - [ -0.0049324200000000, -0.0008813700000000, 0.0003859600000000 ] - [ 0.0000865200000000, 0.0002786400000000, -0.0000485600000000 ] - [ -0.0003837400000000, 0.0002990200000000, -0.0003006600000000 ] - [ 0.0013144200000000, -0.0012920200000000, 0.0008233100000000 ] - [ -0.0013817700000000, 0.0002628400000000, -0.0013269500000000 ] - [ -0.0003933400000000, 0.0006198000000000, 0.0035706300000000 ] - [ 0.0007249000000000, -0.0009505300000000, -0.0031067400000000 ] - [ 0.0002497300000000, -0.0004922600000000, 0.0013074600000000 ] - [ -0.0002384600000000, 0.0006452400000000, -0.0011288200000000 ] - [ -0.0006844600000000, 0.0014505900000000, -0.0009543600000000 ] - [ -0.0007916300000000, -0.0007164900000000, 0.0010780700000000 ] - [ -0.0005678900000000, 0.0000427900000000, -0.0001441600000000 ] - [ 0.0011317500000000, -0.0002397800000000, -0.0003105000000000 ] - [ 0.0282201400000000, 0.0016080500000000, 0.0003388500000000 ] - [ -0.0023026900000000, -0.0004217200000000, -0.0003811600000000 ] - [ -0.0005103700000000, -0.0002245100000000, -0.0008460800000000 ] - [ 0.0004772600000000, -0.0000379700000000, 0.0006737600000000 ] - [ 0.0015331400000000, 0.0041675800000000, 0.0007568900000000 ] - [ -0.0023852700000000, -0.0010452000000000, 0.0002579800000000 ] - [ 0.0001843200000000, 0.0000677400000000, 0.0003831700000000 ] - [ -0.0003021500000000, 0.0002520900000000, -0.0006502400000000 ] - [ -0.0089521900000000, -0.0000468900000000, -0.0001074400000000 ] - [ 0.1674875800000000, -0.0680683900000000, 0.0400611700000000 ] - [ 0.0006558900000000, 0.0001658000000000, 0.0003661100000000 ] - [ -0.0002317300000000, -0.0003208000000000, -0.0006281700000000 ] - [ 0.0017677200000000, -0.0032958900000000, -0.0011233300000000 ] - [ -0.0027198500000000, 0.0018049600000000, 0.0001503400000000 ] - [ -0.0003406800000000, 0.0001846700000000, 0.0005402400000000 ] - [ 0.0005060400000000, 0.0000718000000000, -0.0010034600000000 ] - [ 0.1276082000000000, 0.0584055100000000, -0.0504156100000000 ] - [ -0.0087058400000000, 0.0007999400000000, 0.0000197700000000 ] - [ -0.0056250100000000, 0.0029378500000000, 0.0027007000000000 ] - [ 0.0038676400000000, -0.0009301300000000, 0.0007993900000000 ] - [ 0.0035401600000000, -0.0013620000000000, -0.0004241600000000 ] - [ -0.0069803500000000, 0.0007948100000000, -0.0000545100000000 ] - [ 0.0012196600000000, -0.0014233400000000, 0.0033645200000000 ] - [ 0.0011237600000000, 0.0041474900000000, -0.0042199200000000 ] - [ -0.0004595600000000, -0.0001875700000000, -0.0018566400000000 ] - [ 0.0003912000000000, 0.0013409900000000, 0.0018748100000000 ] - [ -0.4024603500000000, 0.0028934800000000, -0.0363612100000000 ] - [ 0.0089563600000000, 0.0003503200000000, 0.0003069900000000 ] - [ 0.0012869100000000, 0.0001930900000000, 0.0001610900000000 ] - [ 0.0002257400000000, 0.0003526100000000, 0.0004139000000000 ] - [ 0.0021097700000000, -0.0004967300000000, -0.0006073700000000 ] - [ 0.0024896000000000, -0.0005473100000000, 0.0010912700000000 ] - [ -0.0014945600000000, 0.0003786800000000, -0.0023130500000000 ] - [ -0.0001097900000000, -0.0006907200000000, 0.0019364300000000 ] - [ -0.0006624600000000, -0.0003709500000000, -0.0013786200000000 ] - [ -0.0000120200000000, -0.0000705600000000, 0.0015813400000000 ] - [ 0.0243506300000000, 0.0120627200000000, 0.0248384700000000 ] - [ 0.0217195600000000, -0.0081372000000000, -0.0248055400000000 ] - [ 0.0023183200000000, 0.0004492800000000, 0.0002784000000000 ] - [ -0.0020347200000000, -0.0007821500000000, 0.0003683100000000 ] - [ -0.0260081000000000, -0.0003773200000000, 0.0016969400000000 ] - [ 0.0056696600000000, -0.0000753800000000, 0.0005639000000000 ] - [ -0.0038768500000000, 0.0005720000000000, 0.0002778100000000 ] - [ 0.0034984100000000, -0.0001418300000000, -0.0004635800000000 ] - [ -0.0054608700000000, -0.0018509800000000, 0.0033858000000000 ] - [ 0.0036612100000000, 0.0006453800000000, -0.0007452800000000 ] - [ 0.0129162000000000, -0.0023258200000000, -0.0209881500000000 ] - [ 0.0109199600000000, 0.0005618300000000, 0.0179018000000000 ] - [ 0.0008379600000000, 0.0007179800000000, -0.0010334700000000 ] - [ 0.0007158100000000, -0.0001336800000000, 0.0019804500000000 ]- atom: 65 displacement: [ -0.0099999278170813, 0.0000000000000000, 0.0000379954360843 ] forces: - [ 0.0018384900000000, 0.0000065000000000, 0.0006629800000000 ] - [ -0.0003389100000000, 0.0007938200000000, -0.0009011400000000 ] - [ -0.0041185000000000, 0.0002875900000000, -0.0027661300000000 ] - [ 0.0030238900000000, 0.0002696100000000, 0.0012772600000000 ] - [ -0.0023257500000000, 0.0028228100000000, -0.0064930900000000 ] - [ 0.0019089000000000, -0.0028552100000000, 0.0029162400000000 ] - [ 0.0001561400000000, 0.0002086900000000, 0.0006666900000000 ] - [ 0.0004612700000000, -0.0009525700000000, -0.0003207400000000 ] - [ 0.0029722700000000, -0.0023732700000000, -0.0005694500000000 ] - [ -0.0032176700000000, 0.0041871200000000, 0.0024241300000000 ] - [ -0.0023480100000000, 0.0030762100000000, -0.0024382400000000 ] - [ 0.0023312000000000, -0.0004608500000000, 0.0006687300000000 ] - [ -0.0013629000000000, 0.0008623400000000, -0.0014232900000000 ] - [ 0.0015186400000000, -0.0010086100000000, 0.0010844000000000 ] - [ -0.0004681600000000, 0.0005053900000000, 0.0021213200000000 ] - [ 0.0016310500000000, -0.0003533800000000, -0.0032469800000000 ] - [ -0.0027688700000000, -0.0013761800000000, 0.0006115800000000 ] - [ 0.0027229100000000, 0.0008771400000000, 0.0003390200000000 ] - [ 0.0030154800000000, 0.0022140700000000, -0.0005708500000000 ] - [ -0.0044304500000000, -0.0030327500000000, 0.0044050200000000 ] - [ -0.0006849500000000, -0.0011778200000000, 0.0014232100000000 ] - [ 0.0008350700000000, 0.0002711000000000, -0.0012262500000000 ] - [ -0.0017338400000000, -0.0008627500000000, -0.0022807700000000 ] - [ 0.0024264100000000, 0.0008489500000000, 0.0022621800000000 ] - [ -0.0486567300000000, -0.0006205200000000, -0.0407543300000000 ] - [ 0.0052187600000000, 0.0014263700000000, -0.0000606200000000 ] - [ -0.0003725900000000, 0.0002668500000000, -0.0002806800000000 ] - [ 0.0000991700000000, 0.0002460700000000, -0.0000338300000000 ] - [ -0.0015844700000000, 0.0007600100000000, -0.0011415600000000 ] - [ 0.0010856900000000, -0.0007996700000000, 0.0010104800000000 ] - [ 0.0006796300000000, -0.0011650800000000, -0.0032500900000000 ] - [ -0.0004408700000000, 0.0004051600000000, 0.0034265300000000 ] - [ -0.0002249000000000, 0.0007218000000000, -0.0010881100000000 ] - [ 0.0002666500000000, -0.0004159500000000, 0.0013482700000000 ] - [ 0.0006632800000000, -0.0012016600000000, 0.0007294900000000 ] - [ 0.0007639600000000, 0.0009664400000000, -0.0012992400000000 ] - [ 0.0005407200000000, -0.0002708600000000, -0.0000808000000000 ] - [ -0.0011590200000000, 0.0000155900000000, 0.0000772700000000 ] - [ -0.0281551100000000, -0.0003224800000000, 0.0004668400000000 ] - [ 0.0023287500000000, 0.0002020300000000, 0.0006161300000000 ] - [ 0.0006388600000000, -0.0001025300000000, 0.0010819400000000 ] - [ -0.0003522700000000, -0.0002888500000000, -0.0004451300000000 ] - [ -0.0016701200000000, -0.0044920000000000, -0.0009727200000000 ] - [ 0.0022596900000000, 0.0007148100000000, -0.0004879800000000 ] - [ -0.0003114000000000, 0.0002578900000000, -0.0006268900000000 ] - [ 0.0001740600000000, 0.0000741500000000, 0.0004104700000000 ] - [ 0.0090447900000000, 0.0003575200000000, 0.0003564600000000 ] - [ -0.1761932900000000, 0.0745839500000000, -0.0428646000000000 ] - [ -0.0007575000000000, -0.0004470200000000, -0.0001968000000000 ] - [ 0.0001359000000000, 0.0000424300000000, 0.0007903400000000 ] - [ -0.0016549500000000, 0.0030115700000000, 0.0009652300000000 ] - [ 0.0028112000000000, -0.0020883600000000, -0.0003128600000000 ] - [ 0.0004355800000000, 0.0000973400000000, -0.0007124100000000 ] - [ -0.0004118200000000, 0.0002085000000000, 0.0008279000000000 ] - [ -0.1227546000000000, -0.0536536000000000, 0.0470966300000000 ] - [ 0.0085970700000000, -0.0005414300000000, 0.0001667400000000 ] - [ 0.0056385000000000, -0.0039708500000000, -0.0025228500000000 ] - [ -0.0038776100000000, -0.0001713300000000, -0.0006645200000000 ] - [ -0.0035238600000000, 0.0002723200000000, 0.0002722200000000 ] - [ 0.0069997000000000, -0.0018885700000000, -0.0000852200000000 ] - [ -0.0012147000000000, 0.0024948600000000, -0.0034994700000000 ] - [ -0.0011064300000000, -0.0031058600000000, 0.0040805700000000 ] - [ 0.0004463000000000, 0.0012880300000000, 0.0020182500000000 ] - [ -0.0004172900000000, -0.0002452700000000, -0.0017121200000000 ] - [ 0.4051293600000000, -0.0148336500000000, 0.0424223100000000 ] - [ -0.0106332700000000, 0.0001923600000000, -0.0008097900000000 ] - [ 0.0004042600000000, 0.0003578700000000, 0.0003446500000000 ] - [ 0.0014686400000000, 0.0001946600000000, 0.0000961800000000 ] - [ -0.0004371800000000, -0.0000724800000000, 0.0010834200000000 ] - [ -0.0007761300000000, -0.0000275400000000, -0.0006114000000000 ] - [ -0.0001971500000000, -0.0009315200000000, 0.0018149000000000 ] - [ -0.0015838400000000, 0.0001378300000000, -0.0024295000000000 ] - [ -0.0001926600000000, 0.0001447300000000, 0.0015632600000000 ] - [ -0.0008439100000000, -0.0001537400000000, -0.0013994800000000 ] - [ -0.0232534400000000, -0.0120475200000000, -0.0247644500000000 ] - [ -0.0209891900000000, 0.0080659800000000, 0.0247099500000000 ] - [ -0.0014597900000000, -0.0002214900000000, -0.0004499000000000 ] - [ 0.0028920300000000, 0.0010105800000000, -0.0005257900000000 ] - [ 0.0251493300000000, 0.0004475300000000, -0.0014981300000000 ] - [ -0.0065207200000000, 0.0003136000000000, -0.0004059900000000 ] - [ 0.0041883800000000, -0.0005040700000000, 0.0001595900000000 ] - [ -0.0031883900000000, 0.0002133900000000, 0.0009239700000000 ] - [ 0.0051713900000000, 0.0019171500000000, -0.0038438500000000 ] - [ -0.0039683800000000, -0.0005782800000000, 0.0003096200000000 ] - [ -0.0132142600000000, 0.0023030100000000, 0.0204627100000000 ] - [ -0.0112340900000000, -0.0005948100000000, -0.0183954900000000 ] - [ -0.0005483900000000, -0.0007939600000000, 0.0014915700000000 ] - [ -0.0003950400000000, 0.0000605900000000, -0.0015231000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008308000000000, -0.0000829100000000, 0.0007443700000000 ] - [ -0.0021901100000000, -0.0177093000000000, -0.0036401700000000 ] - [ 0.0010390400000000, 0.0033598300000000, 0.0022395200000000 ] - [ 0.0001391600000000, 0.0006847000000000, 0.0005337700000000 ] - [ -0.0016247700000000, 0.0030634300000000, 0.0003273400000000 ] - [ -0.0004856000000000, 0.0022649500000000, -0.0006310700000000 ] - [ 0.0002541700000000, -0.0010207200000000, -0.0002807000000000 ] - [ 0.0003791200000000, -0.0012374700000000, -0.0002024500000000 ] - [ -0.0001894300000000, 0.0021987100000000, -0.0000745000000000 ] - [ -0.0104336800000000, 0.0024019700000000, -0.0152343800000000 ] - [ -0.0004980500000000, -0.0028471400000000, 0.0025967300000000 ] - [ -0.0005348100000000, -0.0011288000000000, 0.0004404900000000 ] - [ 0.0000350100000000, -0.0004913600000000, 0.0011538800000000 ] - [ 0.0008038000000000, 0.0000197200000000, 0.0006175100000000 ] - [ 0.0006502300000000, 0.0002589400000000, -0.0002059400000000 ] - [ 0.0004764200000000, -0.0000565700000000, -0.0016620600000000 ] - [ 0.0088471900000000, -0.0036204100000000, -0.0174526500000000 ] - [ -0.0009619800000000, 0.0009068300000000, 0.0000162900000000 ] - [ -0.0013012500000000, -0.0012187900000000, 0.0005606200000000 ] - [ 0.0000553900000000, -0.0019943600000000, 0.0032162200000000 ] - [ -0.0003594900000000, 0.0002887000000000, 0.0012098100000000 ] - [ -0.0010152500000000, -0.0000288300000000, 0.0005273500000000 ] - [ 0.0001211200000000, -0.0006330500000000, -0.0013893600000000 ] - [ 0.0000154800000000, -0.0008520400000000, -0.0015043100000000 ] - [ 0.0011698400000000, 0.0368080600000000, 0.0041076300000000 ] - [ 0.0009010600000000, 0.0016168500000000, -0.0009226300000000 ] - [ -0.0000713600000000, -0.0001230300000000, -0.0005125400000000 ] - [ -0.0001042400000000, -0.0002464200000000, -0.0009580600000000 ] - [ -0.0007446400000000, -0.0049115200000000, 0.0005813000000000 ] - [ -0.0009925500000000, -0.0024307600000000, 0.0009313100000000 ] - [ 0.0002831800000000, 0.0009802400000000, 0.0021052200000000 ] - [ -0.0010810000000000, 0.0012421400000000, 0.0001276000000000 ] - [ 0.0000947800000000, 0.0003752900000000, -0.0002295000000000 ] - [ -0.0000017800000000, 0.0005221000000000, -0.0004127400000000 ] - [ 0.0022199700000000, -0.0028014900000000, 0.0021587300000000 ] - [ -0.0016655500000000, -0.0024070600000000, 0.0013893900000000 ] - [ -0.0001212000000000, -0.0006104400000000, 0.0002812100000000 ] - [ -0.0000335500000000, -0.0010378900000000, 0.0009498400000000 ] - [ 0.0003751900000000, 0.2154282200000000, 0.0562194000000000 ] - [ -0.0000256900000000, 0.0015091100000000, 0.0007999600000000 ] - [ -0.0002793200000000, 0.0000254400000000, -0.0000713800000000 ] - [ 0.0010006200000000, 0.0004334300000000, -0.0005393800000000 ] - [ 0.0018722800000000, -0.0049181800000000, -0.0011248300000000 ] - [ -0.0000212500000000, -0.0020362100000000, 0.0000615100000000 ] - [ 0.0000769400000000, -0.0009551400000000, -0.0013995500000000 ] - [ -0.0004914500000000, 0.0000537000000000, -0.0004900500000000 ] - [ -0.0028583200000000, 0.0006004600000000, -0.0004620000000000 ] - [ -0.0779559100000000, 0.0825598700000000, -0.0224538700000000 ] - [ 0.0002968900000000, 0.0003326200000000, 0.0000311300000000 ] - [ -0.0003863900000000, 0.0002148000000000, -0.0007726400000000 ] - [ -0.0015064300000000, -0.0046536200000000, -0.0012691800000000 ] - [ 0.0005661700000000, -0.0023157200000000, 0.0001161000000000 ] - [ 0.0005104800000000, 0.0001543000000000, -0.0005366200000000 ] - [ -0.0000026600000000, -0.0008991200000000, -0.0014144800000000 ] - [ 0.0623633500000000, 0.0829330700000000, -0.0332540100000000 ] - [ 0.0026170600000000, 0.0000025000000000, 0.0009226000000000 ] - [ 0.0081473700000000, 0.0356178900000000, 0.0572293300000000 ] - [ 0.0005082500000000, -0.0009691700000000, -0.0007692800000000 ] - [ 0.0008516800000000, -0.0000983600000000, -0.0007538100000000 ] - [ 0.0004749900000000, -0.0003129600000000, -0.0034271900000000 ] - [ -0.0019226700000000, -0.0016691600000000, -0.0038595300000000 ] - [ 0.0017824400000000, -0.0002418100000000, -0.0034016600000000 ] - [ -0.0002602300000000, 0.0011754900000000, 0.0010932000000000 ] - [ -0.0003182600000000, 0.0008834900000000, 0.0011345600000000 ] - [ 0.0081531700000000, -0.4645405100000000, -0.0255979400000000 ] - [ -0.0007701700000000, -0.0030904000000000, 0.0002516300000000 ] - [ 0.0009347700000000, 0.0011092900000000, 0.0004048400000000 ] - [ 0.0007760600000000, 0.0022724100000000, 0.0009771900000000 ] - [ 0.0006508100000000, 0.0068484900000000, -0.0009056200000000 ] - [ 0.0005705700000000, 0.0056504000000000, -0.0009761300000000 ] - [ -0.0015058200000000, -0.0008998400000000, -0.0007259300000000 ] - [ -0.0004352200000000, -0.0007128700000000, 0.0003435300000000 ] - [ -0.0007489300000000, 0.0001378500000000, 0.0005080000000000 ] - [ -0.0000843800000000, 0.0002610700000000, 0.0006348800000000 ] - [ 0.0119263100000000, -0.0008568300000000, 0.0134257500000000 ] - [ -0.0093730500000000, -0.0010663400000000, 0.0117657800000000 ] - [ 0.0009528000000000, -0.0009437000000000, -0.0000184200000000 ] - [ 0.0000097200000000, -0.0033571800000000, 0.0059419100000000 ] - [ -0.0022335700000000, 0.0490122500000000, -0.0136566600000000 ] - [ -0.0002199000000000, 0.0029568900000000, -0.0006392400000000 ] - [ 0.0001665300000000, 0.0027646200000000, 0.0012452300000000 ] - [ -0.0000456000000000, 0.0014043800000000, 0.0009318100000000 ] - [ -0.0005690300000000, -0.0021260600000000, -0.0019633400000000 ] - [ -0.0002830600000000, -0.0013559300000000, 0.0011113500000000 ] - [ 0.0030801400000000, -0.0081461700000000, -0.0105379000000000 ] - [ -0.0008909600000000, -0.0081580700000000, -0.0084062800000000 ] - [ -0.0039928500000000, 0.0060140900000000, 0.0011253100000000 ] - [ 0.0046110600000000, 0.0044651400000000, 0.0016488400000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001099300000000, 0.0009526000000000, -0.0003814500000000 ] - [ 0.0028893500000000, 0.0184815900000000, 0.0039846600000000 ] - [ -0.0017704000000000, -0.0024853700000000, -0.0026130800000000 ] - [ -0.0008666600000000, 0.0001884900000000, -0.0008988900000000 ] - [ 0.0008879100000000, -0.0039616000000000, -0.0006831100000000 ] - [ -0.0002307100000000, -0.0031513800000000, 0.0002728000000000 ] - [ 0.0004672300000000, 0.0001523800000000, 0.0006403000000000 ] - [ 0.0003434500000000, 0.0003693100000000, 0.0005629200000000 ] - [ -0.0001591500000000, -0.0019094100000000, -0.0000882000000000 ] - [ 0.0101060000000000, -0.0021099700000000, 0.0151177000000000 ] - [ 0.0008434500000000, 0.0031593900000000, -0.0024184000000000 ] - [ 0.0008889500000000, 0.0014370600000000, -0.0002761500000000 ] - [ 0.0003217200000000, 0.0001808600000000, -0.0009992500000000 ] - [ -0.0004553700000000, -0.0003248900000000, -0.0004594000000000 ] - [ -0.0010020200000000, -0.0005470700000000, 0.0000461600000000 ] - [ -0.0008304200000000, -0.0002423600000000, 0.0015026400000000 ] - [ -0.0079527000000000, 0.0042314500000000, 0.0172801500000000 ] - [ 0.0018688900000000, -0.0003175300000000, -0.0002135100000000 ] - [ 0.0004037800000000, 0.0018225800000000, -0.0003644900000000 ] - [ -0.0009484100000000, 0.0025992500000000, -0.0030052700000000 ] - [ -0.0005393700000000, -0.0008951600000000, -0.0010232100000000 ] - [ 0.0001151800000000, -0.0005724800000000, -0.0003326800000000 ] - [ 0.0007823100000000, 0.0000501200000000, 0.0011942500000000 ] - [ 0.0008880300000000, 0.0002626500000000, 0.0013117700000000 ] - [ -0.0012082300000000, -0.0364255400000000, -0.0053180700000000 ] - [ -0.0006199600000000, -0.0010818600000000, 0.0012354700000000 ] - [ -0.0002106600000000, 0.0006618600000000, 0.0002015100000000 ] - [ -0.0001771900000000, 0.0007862700000000, 0.0006530800000000 ] - [ 0.0004429100000000, 0.0043709600000000, -0.0008797300000000 ] - [ 0.0007212200000000, 0.0018947400000000, -0.0012307900000000 ] - [ -0.0000003200000000, -0.0015229800000000, -0.0018092800000000 ] - [ 0.0013682100000000, -0.0017858900000000, 0.0001764400000000 ] - [ -0.0000658700000000, -0.0001387600000000, 0.0004608300000000 ] - [ 0.0000312800000000, -0.0002863700000000, 0.0006460600000000 ] - [ -0.0022731600000000, 0.0030406600000000, -0.0024127600000000 ] - [ 0.0016517400000000, 0.0026408900000000, -0.0016346900000000 ] - [ 0.0000914300000000, 0.0003784800000000, -0.0005164400000000 ] - [ 0.0000041500000000, 0.0008063200000000, -0.0011809000000000 ] - [ -0.0005578700000000, -0.2297641700000000, -0.0618068900000000 ] - [ 0.0000553600000000, -0.0017523100000000, -0.0005676800000000 ] - [ 0.0004064200000000, -0.0003526900000000, 0.0003095400000000 ] - [ -0.0008798800000000, -0.0007612800000000, 0.0007746900000000 ] - [ -0.0019616800000000, 0.0045834500000000, 0.0008733800000000 ] - [ -0.0001161000000000, 0.0017276000000000, -0.0002978600000000 ] - [ -0.0002005700000000, 0.0012805000000000, 0.0011675300000000 ] - [ 0.0003673700000000, 0.0002701700000000, 0.0002536900000000 ] - [ 0.0029917500000000, -0.0002761200000000, 0.0007010500000000 ] - [ 0.0753189600000000, -0.0816224100000000, 0.0218478000000000 ] - [ -0.0004005700000000, -0.0006116100000000, 0.0001439600000000 ] - [ 0.0002875300000000, -0.0004911100000000, 0.0009451400000000 ] - [ 0.0015812800000000, 0.0043741200000000, 0.0010788100000000 ] - [ -0.0004573400000000, 0.0020533400000000, -0.0002893300000000 ] - [ -0.0004141100000000, 0.0001191600000000, 0.0003662600000000 ] - [ 0.0001023600000000, 0.0011741700000000, 0.0012448900000000 ] - [ -0.0597257700000000, -0.0815211600000000, 0.0318115300000000 ] - [ -0.0027384600000000, 0.0002725200000000, -0.0007495000000000 ] - [ -0.0081584800000000, -0.0370109100000000, -0.0572789800000000 ] - [ -0.0005234800000000, -0.0001142900000000, 0.0009312300000000 ] - [ -0.0008435300000000, -0.0009957500000000, 0.0005920500000000 ] - [ -0.0004587300000000, -0.0007956500000000, 0.0032595700000000 ] - [ 0.0019459000000000, 0.0027869500000000, 0.0037278800000000 ] - [ -0.0017734000000000, 0.0013544400000000, 0.0032654800000000 ] - [ 0.0002442300000000, -0.0000852200000000, -0.0009310700000000 ] - [ 0.0003016400000000, 0.0001990600000000, -0.0009736800000000 ] - [ -0.0092840600000000, 0.4775362800000000, 0.0352726400000000 ] - [ -0.0009231000000000, 0.0036461700000000, -0.0007564100000000 ] - [ 0.0007568600000000, -0.0005704800000000, 0.0001030000000000 ] - [ 0.0009193900000000, -0.0017313300000000, -0.0004768600000000 ] - [ 0.0010748600000000, -0.0074082100000000, 0.0014005800000000 ] - [ 0.0010900400000000, -0.0062015500000000, 0.0014687300000000 ] - [ -0.0001839700000000, 0.0003535400000000, 0.0002221600000000 ] - [ -0.0012611100000000, 0.0001695100000000, -0.0008453700000000 ] - [ -0.0001131500000000, -0.0003573400000000, -0.0003252600000000 ] - [ -0.0007786400000000, -0.0004787900000000, -0.0004523400000000 ] - [ -0.0110350000000000, 0.0005403800000000, -0.0136096400000000 ] - [ 0.0102459900000000, 0.0007838200000000, -0.0119710700000000 ] - [ -0.0000928200000000, 0.0011745400000000, -0.0001619100000000 ] - [ 0.0008559300000000, 0.0035958700000000, -0.0061414600000000 ] - [ 0.0013608000000000, -0.0482013400000000, 0.0136022000000000 ] - [ -0.0006451900000000, -0.0027511400000000, 0.0008156500000000 ] - [ 0.0001364300000000, -0.0027032800000000, -0.0007694500000000 ] - [ 0.0003574200000000, -0.0013447200000000, -0.0004776500000000 ] - [ 0.0002645400000000, 0.0022090500000000, 0.0014927200000000 ] - [ -0.0000191400000000, 0.0014225800000000, -0.0015646500000000 ] - [ -0.0034062300000000, 0.0080893700000000, 0.0101321600000000 ] - [ 0.0005959100000000, 0.0080994200000000, 0.0079941300000000 ] - [ 0.0043145600000000, -0.0060851300000000, -0.0006903900000000 ] - [ -0.0043197600000000, -0.0045372700000000, -0.0012079800000000 ]- atom: 65 displacement: [ -0.0038283560719029, 0.0000000000000000, 0.0092381648495101 ] forces: - [ 0.0014991600000000, -0.0000935800000000, 0.0011743500000000 ] - [ -0.0015951200000000, -0.0026798600000000, -0.0026764600000000 ] - [ -0.0019183800000000, 0.0006549200000000, -0.0052373200000000 ] - [ 0.0003207700000000, -0.0000821000000000, -0.0009733100000000 ] - [ 0.0068781500000000, 0.0022378300000000, -0.0033796100000000 ] - [ -0.0053418800000000, 0.0000833300000000, -0.0009094700000000 ] - [ -0.0006928100000000, -0.0020707400000000, -0.0011573200000000 ] - [ 0.0012400300000000, -0.0012962400000000, -0.0009539900000000 ] - [ 0.0028312400000000, -0.0016854500000000, -0.0008122200000000 ] - [ -0.0049582300000000, -0.0001061200000000, -0.0053122800000000 ] - [ -0.0001335200000000, 0.0027372600000000, -0.0023473400000000 ] - [ 0.0001438000000000, -0.0001918400000000, 0.0001136100000000 ] - [ 0.0013411300000000, 0.0026475900000000, -0.0011620000000000 ] - [ -0.0006845300000000, 0.0008959100000000, -0.0001233400000000 ] - [ -0.0049724100000000, -0.0047563400000000, -0.0042679400000000 ] - [ 0.0008145500000000, -0.0006252600000000, -0.0006200400000000 ] - [ 0.0016731500000000, -0.0034749400000000, -0.0051406400000000 ] - [ 0.0002196800000000, 0.0005439600000000, -0.0003316800000000 ] - [ 0.0026096000000000, 0.0019212200000000, -0.0005203500000000 ] - [ -0.0031821100000000, -0.0001683600000000, 0.0003241800000000 ] - [ -0.0038323200000000, 0.0033332300000000, -0.0015189400000000 ] - [ 0.0013180200000000, 0.0013716700000000, -0.0011648200000000 ] - [ 0.0032793900000000, -0.0029935400000000, -0.0026246000000000 ] - [ -0.0005923100000000, -0.0007538100000000, 0.0002019700000000 ] - [ 0.0205156700000000, 0.0023286000000000, 0.2174299000000000 ] - [ 0.0019408100000000, 0.0002048000000000, 0.0029459000000000 ] - [ -0.0000447500000000, 0.0000588700000000, -0.0027534600000000 ] - [ -0.0005587500000000, 0.0002473300000000, -0.0026319800000000 ] - [ 0.0014341000000000, 0.0007120000000000, 0.0029436000000000 ] - [ -0.0004370700000000, -0.0006551100000000, 0.0026106500000000 ] - [ 0.0014193800000000, -0.0014687800000000, -0.0052756900000000 ] - [ -0.0014672100000000, 0.0000114200000000, -0.0023918100000000 ] - [ 0.0005514700000000, 0.0010274400000000, -0.0023241100000000 ] - [ -0.0010940400000000, 0.0009406500000000, -0.0023968000000000 ] - [ -0.0001314600000000, 0.0021640500000000, 0.0036160200000000 ] - [ 0.0006359000000000, 0.0026340600000000, 0.0023425600000000 ] - [ 0.0002085700000000, 0.0005472000000000, -0.0018549200000000 ] - [ -0.0007604500000000, 0.0014240000000000, -0.0025039100000000 ] - [ -0.0103874800000000, 0.0606881200000000, 0.0463797400000000 ] - [ 0.0009276400000000, 0.0004533500000000, 0.0018015900000000 ] - [ -0.0011735600000000, 0.0001469500000000, -0.0034125700000000 ] - [ 0.0011869000000000, -0.0001138400000000, -0.0026260100000000 ] - [ -0.0011376200000000, -0.0016919000000000, 0.0038824000000000 ] - [ -0.0001153900000000, -0.0012955200000000, 0.0025473800000000 ] - [ 0.0004581400000000, 0.0000028500000000, -0.0027934600000000 ] - [ -0.0000183800000000, 0.0002358600000000, -0.0019018300000000 ] - [ 0.0046153300000000, 0.0006124100000000, 0.0047971400000000 ] - [ -0.0307904500000000, 0.0079826100000000, 0.0353147300000000 ] - [ 0.0026243700000000, 0.0002724800000000, -0.0052202600000000 ] - [ -0.0007942700000000, 0.0000239900000000, -0.0022349400000000 ] - [ -0.0009775200000000, -0.0014354600000000, 0.0053206900000000 ] - [ 0.0007157100000000, -0.0009478100000000, 0.0015842900000000 ] - [ 0.0008959900000000, 0.0001806000000000, -0.0025590600000000 ] - [ -0.0005662900000000, -0.0002675100000000, -0.0024489400000000 ] - [ -0.0905374100000000, -0.0494781600000000, 0.0841337100000000 ] - [ 0.0017557100000000, 0.0000698700000000, 0.0022135100000000 ] - [ 0.0045218000000000, 0.0212787500000000, 0.0224833400000000 ] - [ -0.0019596600000000, -0.0003232700000000, -0.0019513200000000 ] - [ -0.0017498700000000, -0.0004359200000000, 0.0024263900000000 ] - [ 0.0032917200000000, -0.0038460900000000, 0.0040405100000000 ] - [ 0.0047486500000000, -0.0044345300000000, -0.0020553800000000 ] - [ -0.0039615900000000, -0.0070188800000000, -0.0003172900000000 ] - [ -0.0025927700000000, 0.0010195200000000, 0.0034828500000000 ] - [ 0.0041171600000000, 0.0024739100000000, 0.0034770900000000 ] - [ 0.1112624500000000, -0.0327081100000000, -0.4084980800000000 ] - [ -0.0041028700000000, 0.0007005000000000, -0.0041821500000000 ] - [ 0.0006091800000000, 0.0001554300000000, 0.0032853200000000 ] - [ 0.0012465400000000, -0.0004352500000000, 0.0037077400000000 ] - [ -0.0004471700000000, -0.0012461300000000, -0.0062871100000000 ] - [ 0.0010038200000000, -0.0012995300000000, -0.0036563600000000 ] - [ -0.0024875100000000, -0.0000796700000000, 0.0047635400000000 ] - [ 0.0008952700000000, -0.0006537600000000, 0.0033426600000000 ] - [ -0.0017798900000000, -0.0004111400000000, 0.0047099600000000 ] - [ 0.0013226400000000, -0.0002586100000000, 0.0043870000000000 ] - [ 0.0168106100000000, 0.0107915200000000, -0.0215244300000000 ] - [ -0.0188476100000000, 0.0107832400000000, -0.0003567300000000 ] - [ -0.0006498000000000, 0.0003960400000000, 0.0043890000000000 ] - [ 0.0017218700000000, 0.0015464500000000, 0.0077447700000000 ] - [ 0.0107576600000000, -0.0116917600000000, -0.0078976800000000 ] - [ -0.0025599800000000, 0.0001189700000000, -0.0032642000000000 ] - [ 0.0005357300000000, 0.0024345000000000, 0.0005251900000000 ] - [ -0.0002340700000000, 0.0001466000000000, 0.0002624900000000 ] - [ -0.0029958400000000, -0.0073897000000000, 0.0295440000000000 ] - [ -0.0002569000000000, 0.0000753600000000, 0.0019528200000000 ] - [ -0.0177197800000000, 0.0001737100000000, 0.0188036400000000 ] - [ 0.0042267000000000, -0.0029835400000000, -0.0024141700000000 ] - [ -0.0035782600000000, 0.0006706300000000, 0.0025502100000000 ] - [ 0.0036931600000000, 0.0013866200000000, 0.0014118900000000 ]- atom: 65 displacement: [ 0.0038283560719029, 0.0000000000000000, -0.0092381648495101 ] forces: - [ -0.0007775400000000, 0.0009615900000000, -0.0008146900000000 ] - [ 0.0023009800000000, 0.0035119900000000, 0.0029917100000000 ] - [ 0.0011964100000000, 0.0001959900000000, 0.0049083600000000 ] - [ -0.0010481200000000, 0.0009465700000000, 0.0006044600000000 ] - [ -0.0075512900000000, -0.0030701400000000, 0.0029477000000000 ] - [ 0.0046357100000000, -0.0009651400000000, 0.0005593900000000 ] - [ 0.0014166000000000, 0.0012115800000000, 0.0015263700000000 ] - [ -0.0005139800000000, 0.0004282100000000, 0.0013176800000000 ] - [ -0.0031949900000000, 0.0019926800000000, 0.0006443800000000 ] - [ 0.0046088900000000, 0.0004340900000000, 0.0051089800000000 ] - [ 0.0004870600000000, -0.0024506900000000, 0.0024985100000000 ] - [ 0.0002100500000000, 0.0004944200000000, 0.0000488800000000 ] - [ -0.0009947200000000, -0.0029313400000000, 0.0013203800000000 ] - [ 0.0010498800000000, -0.0012026400000000, 0.0002981800000000 ] - [ 0.0046113600000000, 0.0044702500000000, 0.0041268700000000 ] - [ -0.0011609400000000, 0.0003188400000000, 0.0004512200000000 ] - [ -0.0007604800000000, 0.0041085900000000, 0.0049368500000000 ] - [ 0.0006788600000000, 0.0000489000000000, 0.0001325200000000 ] - [ -0.0035132900000000, -0.0013334000000000, 0.0007109100000000 ] - [ 0.0022932800000000, 0.0007476000000000, -0.0001439200000000 ] - [ 0.0029257400000000, -0.0039286700000000, 0.0017190900000000 ] - [ -0.0022013900000000, -0.0019487800000000, 0.0013551600000000 ] - [ -0.0023792300000000, 0.0023884200000000, 0.0024166400000000 ] - [ 0.0015001000000000, 0.0001650600000000, -0.0003896300000000 ] - [ -0.0165963300000000, -0.0012840200000000, -0.2058237500000000 ] - [ -0.0016419000000000, 0.0003316400000000, -0.0026217100000000 ] - [ -0.0002433300000000, 0.0004789200000000, 0.0024408800000000 ] - [ 0.0002788500000000, 0.0002897000000000, 0.0023220400000000 ] - [ -0.0017065400000000, -0.0012351800000000, -0.0032686400000000 ] - [ 0.0001503700000000, 0.0001211900000000, -0.0029189200000000 ] - [ -0.0011425400000000, 0.0009350800000000, 0.0055936300000000 ] - [ 0.0017575600000000, -0.0005499100000000, 0.0027015800000000 ] - [ -0.0005235000000000, -0.0007898400000000, 0.0025593900000000 ] - [ 0.0011249700000000, -0.0007056200000000, 0.0026414000000000 ] - [ 0.0001083000000000, -0.0019274600000000, -0.0038453800000000 ] - [ -0.0006620300000000, -0.0023783700000000, -0.0025637300000000 ] - [ -0.0002391600000000, -0.0007847000000000, 0.0016137700000000 ] - [ 0.0007349000000000, -0.0016710900000000, 0.0022669600000000 ] - [ 0.0102396900000000, -0.0612428700000000, -0.0454930500000000 ] - [ -0.0008980900000000, -0.0006933000000000, -0.0015647500000000 ] - [ 0.0012977100000000, -0.0004696400000000, 0.0036526300000000 ] - [ -0.0010632200000000, -0.0002081300000000, 0.0028654200000000 ] - [ 0.0010079300000000, 0.0013687100000000, -0.0041014200000000 ] - [ -0.0000000500000000, 0.0009784700000000, -0.0027830200000000 ] - [ -0.0005836400000000, 0.0003213200000000, 0.0025562100000000 ] - [ -0.0001096900000000, 0.0000862500000000, 0.0016631300000000 ] - [ -0.0044747900000000, -0.0003040900000000, -0.0045662300000000 ] - [ 0.0320135900000000, -0.0082017500000000, -0.0349201400000000 ] - [ -0.0027326100000000, -0.0005482600000000, 0.0053974600000000 ] - [ 0.0007008900000000, -0.0002993500000000, 0.0024116500000000 ] - [ 0.0010679200000000, 0.0011717200000000, -0.0054805700000000 ] - [ -0.0006119700000000, 0.0006707000000000, -0.0017535500000000 ] - [ -0.0008024500000000, 0.0000955100000000, 0.0023856000000000 ] - [ 0.0006702000000000, 0.0005429400000000, 0.0022731900000000 ] - [ 0.0950128300000000, 0.0533581500000000, -0.0857698400000000 ] - [ -0.0018610100000000, 0.0002045800000000, -0.0020323100000000 ] - [ -0.0046340900000000, -0.0225228600000000, -0.0222220000000000 ] - [ 0.0019590300000000, -0.0007647500000000, 0.0021375600000000 ] - [ 0.0017623000000000, -0.0006440700000000, -0.0026033600000000 ] - [ -0.0032892200000000, 0.0028086800000000, -0.0042149100000000 ] - [ -0.0047367900000000, 0.0055262500000000, 0.0018549300000000 ] - [ 0.0039472500000000, 0.0080171200000000, 0.0001433000000000 ] - [ 0.0025787100000000, 0.0000758600000000, -0.0033029600000000 ] - [ -0.0041376200000000, -0.0013935900000000, -0.0033089600000000 ] - [ -0.1219542800000000, 0.0300658900000000, 0.3976851400000000 ] - [ 0.0023978000000000, -0.0001679900000000, 0.0036677000000000 ] - [ 0.0010895300000000, 0.0003729300000000, -0.0027714500000000 ] - [ 0.0004452700000000, 0.0009646600000000, -0.0032035700000000 ] - [ 0.0021341400000000, 0.0007181600000000, 0.0067848100000000 ] - [ 0.0007054300000000, 0.0007577800000000, 0.0041498600000000 ] - [ 0.0007966500000000, -0.0004558600000000, -0.0052769300000000 ] - [ -0.0025926500000000, 0.0001290800000000, -0.0038558500000000 ] - [ 0.0009238300000000, 0.0001794000000000, -0.0045240000000000 ] - [ -0.0021804800000000, 0.0000274400000000, -0.0042151800000000 ] - [ -0.0160616500000000, -0.0110763200000000, 0.0212635300000000 ] - [ 0.0195209800000000, -0.0108890300000000, 0.0001669400000000 ] - [ 0.0015129900000000, -0.0001655900000000, -0.0045641300000000 ] - [ -0.0008792200000000, -0.0013323300000000, -0.0079487800000000 ] - [ -0.0116081100000000, 0.0118722700000000, 0.0081558000000000 ] - [ 0.0016898600000000, 0.0001088700000000, 0.0034465800000000 ] - [ -0.0002088100000000, -0.0023640300000000, -0.0000941600000000 ] - [ 0.0005260400000000, -0.0000732300000000, 0.0001811900000000 ] - [ 0.0027767900000000, 0.0074743000000000, -0.0298990400000000 ] - [ -0.0000751600000000, -0.0000058900000000, -0.0024036800000000 ] - [ 0.0175429000000000, -0.0001830300000000, -0.0192985300000000 ] - [ -0.0045476200000000, 0.0029079300000000, 0.0019941800000000 ] - [ 0.0038892000000000, -0.0007622800000000, -0.0020846100000000 ] - [ -0.0033848300000000, -0.0014610600000000, -0.0009533300000000 ]- atom: 73 displacement: [ 0.0099999278170813, 0.0000000000000000, -0.0000379954360843 ] forces: - [ 0.0007476500000000, 0.0008824800000000, -0.0009300200000000 ] - [ -0.0001123300000000, -0.0000587200000000, 0.0010227100000000 ] - [ 0.0009899000000000, 0.0014396400000000, 0.0022004500000000 ] - [ -0.0016729000000000, -0.0002569100000000, -0.0023730200000000 ] - [ 0.0058401800000000, -0.0023844400000000, 0.0011559100000000 ] - [ -0.0031670000000000, -0.0002850100000000, -0.0011239700000000 ] - [ -0.0058039000000000, 0.0000941300000000, -0.0003183700000000 ] - [ 0.0109741200000000, 0.0073423000000000, 0.0053359100000000 ] - [ 0.0008338000000000, -0.0006793900000000, -0.0020118200000000 ] - [ -0.0014236000000000, 0.0003783500000000, 0.0015492600000000 ] - [ 0.0016209800000000, 0.0002917500000000, 0.0023838500000000 ] - [ -0.0013736900000000, -0.0001968000000000, -0.0018650300000000 ] - [ 0.0136672100000000, -0.0025439400000000, 0.0043500300000000 ] - [ -0.0046446400000000, 0.0010846400000000, -0.0011451400000000 ] - [ -0.0030762000000000, -0.0002655700000000, 0.0002496900000000 ] - [ 0.0016042500000000, -0.0016495200000000, -0.0017777000000000 ] - [ 0.0014806700000000, 0.0003825700000000, 0.0025723600000000 ] - [ -0.0007719700000000, 0.0005644500000000, -0.0018475400000000 ] - [ 0.0008518000000000, 0.0008321500000000, -0.0019709400000000 ] - [ -0.0017604500000000, 0.0000694800000000, 0.0019539500000000 ] - [ -0.0056922800000000, -0.0007872900000000, 0.0013349300000000 ] - [ 0.0124844400000000, 0.0007393600000000, -0.0029392000000000 ] - [ 0.0063117700000000, -0.0006049300000000, -0.0006032600000000 ] - [ -0.0031990800000000, -0.0008535100000000, -0.0001989700000000 ] - [ -0.0001927800000000, -0.0002304400000000, 0.0021753300000000 ] - [ 0.0004320900000000, 0.0009960800000000, -0.0023135600000000 ] - [ 0.0121395200000000, -0.0025627700000000, 0.0018424000000000 ] - [ -0.0149557300000000, -0.0039549000000000, -0.0017502500000000 ] - [ -0.0002462300000000, -0.0002624800000000, 0.0000784600000000 ] - [ -0.0000655100000000, -0.0002616500000000, -0.0004536700000000 ] - [ 0.0066595400000000, -0.0016344300000000, -0.0009882700000000 ] - [ -0.0031943800000000, 0.0004479900000000, 0.0003432200000000 ] - [ 0.0056874900000000, -0.0019230300000000, 0.0009621000000000 ] - [ -0.0021087800000000, 0.0004759300000000, -0.0002198600000000 ] - [ -0.0011740200000000, -0.0000501500000000, -0.0002679900000000 ] - [ 0.0044866000000000, -0.0004758300000000, -0.0000060700000000 ] - [ -0.0020612000000000, 0.0061536600000000, -0.0073422600000000 ] - [ -0.0018474500000000, -0.0053735600000000, 0.0042317100000000 ] - [ -0.0000191500000000, 0.0003403100000000, 0.0013029000000000 ] - [ -0.0001419900000000, -0.0006704800000000, -0.0010718100000000 ] - [ -0.0050511900000000, -0.0011777400000000, 0.0001225500000000 ] - [ 0.0121086400000000, 0.0050159000000000, 0.0022890500000000 ] - [ 0.0014110500000000, 0.0003837300000000, 0.0016190500000000 ] - [ -0.0012992300000000, -0.0003305500000000, -0.0013702700000000 ] - [ 0.0101579300000000, 0.0018698000000000, -0.0051014200000000 ] - [ -0.0092260000000000, -0.0020017800000000, -0.0045065800000000 ] - [ -0.0001819300000000, 0.0002595400000000, -0.0004504000000000 ] - [ 0.0002468500000000, 0.0001345300000000, 0.0005212400000000 ] - [ 0.0149059300000000, 0.0015439400000000, -0.0018414400000000 ] - [ -0.0047986400000000, 0.0008228300000000, 0.0006826400000000 ] - [ -0.0021344500000000, 0.0003238000000000, 0.0025717800000000 ] - [ 0.0015568900000000, -0.0005322400000000, -0.0027444300000000 ] - [ 0.0100327700000000, -0.0020519600000000, -0.0089612300000000 ] - [ -0.0078693200000000, 0.0013063000000000, 0.0032878700000000 ] - [ -0.0000093600000000, 0.0000429300000000, 0.0006781400000000 ] - [ -0.0000472400000000, 0.0003204200000000, -0.0006250800000000 ] - [ 0.0005896100000000, -0.0004204200000000, -0.0018989300000000 ] - [ 0.0003085100000000, -0.0003757800000000, 0.0021222900000000 ] - [ 0.0005845200000000, -0.0025884600000000, 0.0060071500000000 ] - [ 0.0001626300000000, 0.0011761700000000, -0.0058725100000000 ] - [ 0.0058358100000000, 0.0002674000000000, -0.0001266800000000 ] - [ -0.0278583700000000, 0.0046818200000000, -0.0002054600000000 ] - [ -0.0094981900000000, 0.0084147300000000, 0.0005994800000000 ] - [ 0.0054741800000000, -0.0007583600000000, 0.0002661000000000 ] - [ -0.0010893600000000, -0.0000569100000000, -0.0018358700000000 ] - [ -0.0004314800000000, 0.0006060200000000, 0.0018011200000000 ] - [ 0.0247691200000000, -0.0112646700000000, 0.0281969700000000 ] - [ 0.0221966700000000, 0.0100611400000000, -0.0115355600000000 ] - [ 0.0027417700000000, 0.0002561500000000, -0.0001475800000000 ] - [ -0.0016189800000000, -0.0007062900000000, 0.0006226900000000 ] - [ -0.0264627000000000, 0.0014324700000000, 0.0012581100000000 ] - [ 0.0052488900000000, -0.0004784900000000, -0.0000146900000000 ] - [ -0.1057547600000000, -0.0078631800000000, -0.0022444300000000 ] - [ 0.0164522600000000, -0.0007010600000000, -0.0000113400000000 ] - [ 0.0025368800000000, -0.0007113600000000, 0.0000652500000000 ] - [ -0.0021734400000000, 0.0005159000000000, 0.0005397800000000 ] - [ 0.0079226400000000, 0.0104968100000000, 0.0109053700000000 ] - [ 0.0091278500000000, -0.0091217100000000, -0.0102715900000000 ] - [ -0.0005017000000000, 0.0001424900000000, -0.0023245500000000 ] - [ -0.0001225200000000, -0.0001802900000000, 0.0023654500000000 ] - [ 0.0083389800000000, -0.0115287400000000, -0.0167506400000000 ] - [ 0.0083233300000000, 0.0077518100000000, 0.0130338700000000 ] - [ 0.0060773300000000, 0.0089154200000000, -0.0081942800000000 ] - [ 0.0071278300000000, -0.0079242000000000, 0.0062839900000000 ] - [ -0.0034111400000000, 0.0002399700000000, -0.0001927900000000 ] - [ 0.0027401400000000, -0.0003646200000000, -0.0003611400000000 ] - [ -0.0108635200000000, -0.0007114400000000, 0.0003114700000000 ] - [ 0.0053177700000000, 0.0003187300000000, -0.0000889600000000 ]- atom: 73 displacement: [ -0.0099999278170813, 0.0000000000000000, 0.0000379954360843 ] forces: - [ -0.0000256900000000, -0.0000186200000000, 0.0012939600000000 ] - [ 0.0008283400000000, 0.0009209800000000, -0.0006632400000000 ] - [ -0.0017211200000000, -0.0005750000000000, -0.0025643300000000 ] - [ 0.0009494800000000, 0.0011178700000000, 0.0020012300000000 ] - [ -0.0065497600000000, 0.0015269700000000, -0.0015244100000000 ] - [ 0.0024316200000000, -0.0005838800000000, 0.0007600800000000 ] - [ 0.0065258500000000, -0.0009362200000000, 0.0006968100000000 ] - [ -0.0102164000000000, -0.0083203600000000, -0.0050556600000000 ] - [ -0.0011895600000000, 0.0009826400000000, 0.0018370800000000 ] - [ 0.0010592300000000, -0.0000756200000000, -0.0017225900000000 ] - [ -0.0012708100000000, 0.0000106600000000, -0.0022186100000000 ] - [ 0.0017287500000000, 0.0005019300000000, 0.0020233100000000 ] - [ -0.0130438600000000, 0.0022279500000000, -0.0044208300000000 ] - [ 0.0049927700000000, -0.0013923000000000, 0.0013373700000000 ] - [ 0.0027199200000000, -0.0000300600000000, -0.0004126700000000 ] - [ -0.0019888500000000, 0.0012948000000000, 0.0015770900000000 ] - [ -0.0005851100000000, 0.0002118800000000, -0.0027733900000000 ] - [ 0.0016748400000000, 0.0000271500000000, 0.0016414400000000 ] - [ -0.0017469800000000, -0.0002370700000000, 0.0021607000000000 ] - [ 0.0008559600000000, 0.0005269200000000, -0.0017632200000000 ] - [ 0.0047812800000000, 0.0001809900000000, -0.0011143000000000 ] - [ -0.0135951300000000, -0.0012353800000000, 0.0028726700000000 ] - [ -0.0053589300000000, -0.0000056100000000, 0.0003845600000000 ] - [ 0.0040824900000000, 0.0002659900000000, 0.0000112200000000 ] - [ 0.0004809200000000, 0.0007703700000000, -0.0018568500000000 ] - [ -0.0001557000000000, -0.0004551100000000, 0.0026203700000000 ] - [ -0.0113241700000000, 0.0025029000000000, -0.0021717900000000 ] - [ 0.0147689100000000, 0.0045674900000000, 0.0014524400000000 ] - [ -0.0000416200000000, -0.0002755900000000, -0.0003953300000000 ] - [ -0.0002215800000000, -0.0002767300000000, 0.0001200200000000 ] - [ -0.0063578900000000, 0.0010998500000000, 0.0013325300000000 ] - [ 0.0034726700000000, -0.0009879400000000, -0.0000354000000000 ] - [ -0.0056470800000000, 0.0021318600000000, -0.0007242200000000 ] - [ 0.0021303900000000, -0.0002494900000000, 0.0004479400000000 ] - [ 0.0011445900000000, 0.0002771300000000, 0.0000509600000000 ] - [ -0.0045122400000000, 0.0006921800000000, -0.0002324400000000 ] - [ 0.0020266800000000, -0.0063487500000000, 0.0070675400000000 ] - [ 0.0018115300000000, 0.0051716400000000, -0.0044847600000000 ] - [ 0.0000440900000000, -0.0005673300000000, -0.0010824600000000 ] - [ 0.0001657400000000, 0.0004427000000000, 0.0012874800000000 ] - [ 0.0051659600000000, 0.0008375400000000, 0.0001114800000000 ] - [ -0.0122006600000000, -0.0050749300000000, -0.0019814400000000 ] - [ -0.0015282000000000, -0.0007083700000000, -0.0018626900000000 ] - [ 0.0011671700000000, 0.0000077800000000, 0.0011304900000000 ] - [ -0.0106500500000000, -0.0016594700000000, 0.0053526900000000 ] - [ 0.0090874700000000, 0.0023277500000000, 0.0042217300000000 ] - [ 0.0003015400000000, 0.0000652100000000, 0.0006862700000000 ] - [ -0.0001197800000000, 0.0001883100000000, -0.0002910800000000 ] - [ -0.0148590200000000, -0.0015248700000000, 0.0020224300000000 ] - [ 0.0046903000000000, -0.0011187800000000, -0.0005071100000000 ] - [ 0.0022247800000000, -0.0005972600000000, -0.0027344900000000 ] - [ -0.0014706600000000, 0.0002562300000000, 0.0025573900000000 ] - [ -0.0096848600000000, 0.0022421100000000, 0.0089648300000000 ] - [ 0.0079664200000000, -0.0010407300000000, -0.0034927300000000 ] - [ -0.0000900800000000, 0.0002340200000000, -0.0005059900000000 ] - [ -0.0000527100000000, -0.0000444200000000, 0.0007872400000000 ] - [ -0.0006029100000000, -0.0006608700000000, 0.0020738400000000 ] - [ -0.0003234500000000, -0.0007105300000000, -0.0019466800000000 ] - [ -0.0005844500000000, 0.0014992700000000, -0.0061493000000000 ] - [ -0.0001396700000000, -0.0022725100000000, 0.0057148900000000 ] - [ -0.0058130000000000, 0.0008253500000000, -0.0000573900000000 ] - [ 0.0278208700000000, -0.0036334600000000, 0.0001885200000000 ] - [ 0.0094225000000000, -0.0071693200000000, -0.0003978800000000 ] - [ -0.0054884700000000, 0.0018175500000000, -0.0001149500000000 ] - [ -0.0006138100000000, 0.0005968600000000, 0.0013312200000000 ] - [ -0.0012596200000000, -0.0000705100000000, -0.0022930000000000 ] - [ -0.0228587100000000, 0.0116089300000000, -0.0273217100000000 ] - [ -0.0206196800000000, -0.0096328900000000, 0.0122451000000000 ] - [ -0.0010406700000000, -0.0007946500000000, 0.0006491300000000 ] - [ 0.0033043200000000, 0.0001779400000000, -0.0000958200000000 ] - [ 0.0247071200000000, -0.0020662100000000, -0.0018129300000000 ] - [ -0.0069340100000000, -0.0000544500000000, -0.0004857300000000 ] - [ 0.1039146500000000, 0.0080356200000000, 0.0018936000000000 ] - [ -0.0173223100000000, 0.0005066500000000, 0.0001783000000000 ] - [ -0.0016770200000000, 0.0004871500000000, -0.0002528700000000 ] - [ 0.0030244000000000, -0.0007327100000000, -0.0006892800000000 ] - [ -0.0070630200000000, -0.0101996300000000, -0.0110020700000000 ] - [ -0.0082667600000000, 0.0094194600000000, 0.0101261800000000 ] - [ -0.0003654200000000, 0.0000763300000000, 0.0025132300000000 ] - [ -0.0007377600000000, 0.0004038100000000, -0.0021744800000000 ] - [ -0.0080402200000000, 0.0115320100000000, 0.0170536100000000 ] - [ -0.0079398900000000, -0.0077484200000000, -0.0126677800000000 ] - [ -0.0064021400000000, -0.0087831200000000, 0.0076958400000000 ] - [ -0.0073865200000000, 0.0080349300000000, -0.0067666100000000 ] - [ 0.0031071900000000, -0.0003091300000000, -0.0002687500000000 ] - [ -0.0030428300000000, 0.0002953500000000, -0.0000700500000000 ] - [ 0.0111718600000000, 0.0006413900000000, 0.0001166600000000 ] - [ -0.0050217200000000, -0.0003921000000000, 0.0005678800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005347300000000, 0.0012854300000000, 0.0001535100000000 ] - [ 0.0005445200000000, 0.0011310000000000, 0.0000999000000000 ] - [ 0.0004006000000000, -0.0019875400000000, -0.0013442400000000 ] - [ -0.0010868000000000, -0.0019259000000000, -0.0009666100000000 ] - [ -0.0005082200000000, -0.0027824400000000, 0.0035508000000000 ] - [ 0.0004360000000000, -0.0000856100000000, 0.0003089800000000 ] - [ 0.0014783000000000, -0.0014130200000000, -0.0002289600000000 ] - [ 0.0067476800000000, 0.0351263700000000, 0.0171616300000000 ] - [ -0.0005481700000000, 0.0014926000000000, -0.0012428500000000 ] - [ 0.0003687600000000, 0.0005924900000000, -0.0011712300000000 ] - [ 0.0000502400000000, -0.0010258800000000, 0.0005783000000000 ] - [ 0.0003654100000000, -0.0005545400000000, 0.0005402500000000 ] - [ -0.0027209700000000, 0.0118271100000000, 0.0021319300000000 ] - [ -0.0004047500000000, 0.0028207000000000, -0.0001616500000000 ] - [ -0.0010404400000000, -0.0027500900000000, -0.0000638700000000 ] - [ -0.0032998800000000, -0.0115470600000000, -0.0025159700000000 ] - [ 0.0002813100000000, 0.0016692700000000, -0.0008480500000000 ] - [ -0.0002724200000000, 0.0013635800000000, -0.0010864700000000 ] - [ -0.0010377200000000, -0.0010858700000000, 0.0004712600000000 ] - [ -0.0005254600000000, -0.0005646800000000, 0.0003547300000000 ] - [ -0.0014444300000000, 0.0019222200000000, -0.0002555400000000 ] - [ -0.0005743300000000, 0.0090168900000000, 0.0018815200000000 ] - [ 0.0052678000000000, -0.0089430000000000, -0.0035513200000000 ] - [ -0.0008805500000000, -0.0026847900000000, -0.0001255200000000 ] - [ -0.0002862500000000, -0.0006899000000000, 0.0016372400000000 ] - [ -0.0002247500000000, -0.0008304300000000, 0.0008440700000000 ] - [ -0.0004738400000000, 0.0108511800000000, 0.0006496900000000 ] - [ -0.0067683500000000, 0.0030570700000000, 0.0018279900000000 ] - [ -0.0003473300000000, -0.0000814300000000, -0.0004491300000000 ] - [ 0.0000219800000000, 0.0003574000000000, -0.0007263700000000 ] - [ -0.0013811600000000, -0.0062480400000000, -0.0096625000000000 ] - [ 0.0006253400000000, -0.0011172600000000, -0.0004432500000000 ] - [ 0.0017866900000000, -0.0203204800000000, 0.0072859600000000 ] - [ -0.0000503800000000, -0.0018535900000000, 0.0010986500000000 ] - [ -0.0001645700000000, 0.0006499800000000, -0.0000368100000000 ] - [ -0.0003684600000000, 0.0022296100000000, 0.0023421500000000 ] - [ 0.0010055100000000, -0.0027195500000000, 0.0038550700000000 ] - [ -0.0005462200000000, -0.0016036600000000, 0.0023188000000000 ] - [ -0.0000058500000000, -0.0000947500000000, 0.0000330300000000 ] - [ -0.0000400800000000, -0.0001912000000000, -0.0001582700000000 ] - [ -0.0029108100000000, 0.0003622400000000, -0.0000079700000000 ] - [ 0.0069342400000000, -0.0018519000000000, -0.0035024400000000 ] - [ 0.0000643200000000, 0.0003140500000000, -0.0014639600000000 ] - [ -0.0008365400000000, -0.0003750700000000, -0.0014946900000000 ] - [ 0.0025444100000000, 0.0109302700000000, -0.0036916200000000 ] - [ 0.0026474600000000, 0.0028488800000000, 0.0035116900000000 ] - [ -0.0000900200000000, -0.0002383000000000, -0.0002504900000000 ] - [ 0.0004587700000000, -0.0003481900000000, -0.0000870600000000 ] - [ -0.0017081400000000, 0.0047216200000000, 0.0008044000000000 ] - [ 0.0024659500000000, 0.0006053200000000, 0.0004818300000000 ] - [ 0.0006586700000000, -0.0004500200000000, -0.0012001700000000 ] - [ 0.0005769400000000, -0.0000854100000000, -0.0033724800000000 ] - [ -0.0008928300000000, 0.0111716000000000, 0.0026408700000000 ] - [ -0.0008624200000000, 0.0022877200000000, 0.0018067300000000 ] - [ 0.0002471200000000, -0.0003893400000000, -0.0004075900000000 ] - [ -0.0001560800000000, -0.0003692200000000, -0.0002310500000000 ] - [ -0.0000882800000000, -0.0014662200000000, 0.0005831400000000 ] - [ 0.0002536100000000, -0.0018074000000000, 0.0007284200000000 ] - [ -0.0000657500000000, 0.0028128600000000, -0.0024572200000000 ] - [ -0.0003797600000000, 0.0029088900000000, -0.0017997600000000 ] - [ 0.0008298800000000, -0.0005859300000000, 0.0000708800000000 ] - [ 0.0035322900000000, -0.0036698900000000, -0.0137101000000000 ] - [ -0.0053660500000000, 0.0418871000000000, 0.0027395600000000 ] - [ 0.0009159900000000, 0.0031989000000000, -0.0005919900000000 ] - [ -0.0011044100000000, 0.0005200900000000, -0.0006770900000000 ] - [ -0.0008056200000000, 0.0006425100000000, -0.0003857100000000 ] - [ -0.0113013900000000, -0.0003544500000000, -0.0166103100000000 ] - [ 0.0089573600000000, -0.0005862400000000, -0.0081228300000000 ] - [ 0.0011744700000000, -0.0013355500000000, 0.0006827100000000 ] - [ -0.0000461000000000, -0.0037393800000000, 0.0014329000000000 ] - [ -0.0003794900000000, 0.0486181900000000, 0.0128549400000000 ] - [ -0.0006504100000000, 0.0025827400000000, -0.0001629200000000 ] - [ -0.0084030500000000, -0.1361027800000000, -0.0209891300000000 ] - [ -0.0010412100000000, -0.0054285600000000, 0.0000604300000000 ] - [ 0.0010287300000000, 0.0014555900000000, 0.0005570600000000 ] - [ -0.0001901400000000, 0.0046991900000000, 0.0023674800000000 ] - [ 0.0108463800000000, -0.0036463000000000, 0.0109343200000000 ] - [ -0.0088241000000000, -0.0032375500000000, 0.0100868300000000 ] - [ -0.0004609100000000, 0.0005486700000000, 0.0008551400000000 ] - [ -0.0001389200000000, 0.0005115000000000, 0.0013020100000000 ] - [ -0.0080809200000000, -0.0007439800000000, 0.0113518700000000 ] - [ 0.0145764400000000, -0.0028451600000000, 0.0112332200000000 ] - [ 0.0091749100000000, 0.0059566500000000, -0.0121012300000000 ] - [ -0.0075002600000000, 0.0073947800000000, -0.0089253300000000 ] - [ -0.0005967000000000, 0.0021453800000000, 0.0043665900000000 ] - [ -0.0002446900000000, 0.0009320800000000, 0.0007765300000000 ] - [ 0.0004458200000000, -0.0018860300000000, -0.0032316900000000 ] - [ -0.0001222800000000, -0.0008061400000000, -0.0008415700000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001995800000000, -0.0004134500000000, 0.0002195000000000 ] - [ 0.0001780900000000, -0.0002582800000000, 0.0002629200000000 ] - [ -0.0011144900000000, 0.0028492200000000, 0.0009803600000000 ] - [ 0.0003554100000000, 0.0027898400000000, 0.0006072400000000 ] - [ -0.0002118800000000, 0.0019557200000000, -0.0038742800000000 ] - [ -0.0011543200000000, -0.0007836300000000, -0.0006617900000000 ] - [ -0.0007422400000000, 0.0005212200000000, 0.0005733200000000 ] - [ -0.0066698400000000, -0.0378758900000000, -0.0180833100000000 ] - [ 0.0001879300000000, -0.0011709100000000, 0.0010724200000000 ] - [ -0.0007268900000000, -0.0002871000000000, 0.0009975600000000 ] - [ 0.0002988100000000, 0.0013010500000000, -0.0004060500000000 ] - [ -0.0000114800000000, 0.0008441100000000, -0.0003677200000000 ] - [ 0.0030908800000000, -0.0121082800000000, -0.0019747500000000 ] - [ 0.0007623600000000, -0.0031243300000000, 0.0003268800000000 ] - [ 0.0006732700000000, 0.0024317500000000, -0.0001050400000000 ] - [ 0.0029680600000000, 0.0112524500000000, 0.0023929800000000 ] - [ 0.0006133300000000, -0.0010546300000000, 0.0006539600000000 ] - [ 0.0011753300000000, -0.0007610600000000, 0.0008809100000000 ] - [ 0.0001291200000000, 0.0016615500000000, -0.0002678200000000 ] - [ -0.0003793600000000, 0.0011487700000000, -0.0001524300000000 ] - [ 0.0005408400000000, -0.0024977100000000, 0.0004539000000000 ] - [ -0.0004130900000000, -0.0095719500000000, -0.0017286400000000 ] - [ -0.0044147500000000, 0.0083595100000000, 0.0034078100000000 ] - [ 0.0017943400000000, 0.0020847600000000, -0.0000781000000000 ] - [ 0.0005620100000000, 0.0012317000000000, -0.0013113100000000 ] - [ 0.0005100400000000, 0.0013790300000000, -0.0005220600000000 ] - [ 0.0005879700000000, -0.0105110400000000, -0.0009945900000000 ] - [ 0.0064746700000000, -0.0025743600000000, -0.0021741100000000 ] - [ 0.0000631000000000, -0.0004709000000000, 0.0001574700000000 ] - [ -0.0003054600000000, -0.0009088500000000, 0.0004275000000000 ] - [ 0.0016340700000000, 0.0056696700000000, 0.0098457800000000 ] - [ -0.0003460500000000, 0.0005697900000000, 0.0007472100000000 ] - [ -0.0017635200000000, 0.0206223200000000, -0.0070662400000000 ] - [ 0.0000800900000000, 0.0020793200000000, -0.0008693100000000 ] - [ 0.0001350900000000, -0.0004140400000000, -0.0001897800000000 ] - [ 0.0003323300000000, -0.0020028400000000, -0.0025994900000000 ] - [ -0.0010367800000000, 0.0024303200000000, -0.0040748300000000 ] - [ 0.0005121100000000, 0.0013233900000000, -0.0025493200000000 ] - [ 0.0000332800000000, -0.0001347500000000, 0.0002028400000000 ] - [ 0.0000698200000000, -0.0000379200000000, 0.0003939700000000 ] - [ 0.0030105100000000, -0.0006897000000000, 0.0002346100000000 ] - [ -0.0069619900000000, 0.0020922300000000, 0.0037774700000000 ] - [ -0.0001916300000000, -0.0006594800000000, 0.0012349800000000 ] - [ 0.0007223500000000, 0.0000388700000000, 0.0012708300000000 ] - [ -0.0027436200000000, -0.0105486400000000, 0.0035217300000000 ] - [ -0.0027226400000000, -0.0024999800000000, -0.0037356400000000 ] - [ 0.0002094700000000, 0.0005659900000000, 0.0004870700000000 ] - [ -0.0003433800000000, 0.0006772900000000, 0.0003295500000000 ] - [ 0.0019855300000000, -0.0041515700000000, -0.0005607000000000 ] - [ -0.0025444600000000, -0.0008784700000000, -0.0003140500000000 ] - [ -0.0005624600000000, 0.0001614800000000, 0.0010312000000000 ] - [ -0.0004835700000000, -0.0002091600000000, 0.0032187900000000 ] - [ 0.0010786600000000, -0.0109216700000000, -0.0027065500000000 ] - [ 0.0009152800000000, -0.0019983900000000, -0.0019714100000000 ] - [ -0.0003416400000000, 0.0006645200000000, 0.0005796300000000 ] - [ 0.0000616500000000, 0.0006461300000000, 0.0004113200000000 ] - [ 0.0000790000000000, 0.0003646100000000, -0.0004359400000000 ] - [ -0.0002751200000000, 0.0006960300000000, -0.0005786600000000 ] - [ 0.0000845100000000, -0.0038839200000000, 0.0022971900000000 ] - [ 0.0003950100000000, -0.0039794200000000, 0.0016468000000000 ] - [ -0.0008154400000000, 0.0016666500000000, -0.0002273400000000 ] - [ -0.0035102000000000, 0.0046171400000000, 0.0136378400000000 ] - [ 0.0053487300000000, -0.0410932500000000, -0.0027878500000000 ] - [ -0.0009397500000000, -0.0020809900000000, 0.0007616000000000 ] - [ -0.0005880500000000, 0.0000179200000000, 0.0001666700000000 ] - [ -0.0008892800000000, -0.0001049900000000, -0.0001225100000000 ] - [ 0.0129420800000000, 0.0010337900000000, 0.0171109000000000 ] - [ -0.0071749700000000, 0.0012590500000000, 0.0086600200000000 ] - [ 0.0005092300000000, 0.0007867000000000, -0.0001921900000000 ] - [ 0.0017427300000000, 0.0032181300000000, -0.0009361600000000 ] - [ -0.0013019300000000, -0.0485907500000000, -0.0130515300000000 ] - [ -0.0010396800000000, -0.0031191800000000, -0.0003256200000000 ] - [ 0.0077011700000000, 0.1362791600000000, 0.0221540800000000 ] - [ 0.0001638600000000, 0.0051743000000000, 0.0001375700000000 ] - [ -0.0001686800000000, -0.0016726300000000, -0.0007419300000000 ] - [ 0.0010468000000000, -0.0049218000000000, -0.0025927200000000 ] - [ -0.0099310600000000, 0.0037590700000000, -0.0110398400000000 ] - [ 0.0096384300000000, 0.0033711500000000, -0.0101961300000000 ] - [ -0.0003952300000000, -0.0003159000000000, -0.0006840800000000 ] - [ -0.0007266400000000, -0.0002774700000000, -0.0011353500000000 ] - [ 0.0084321300000000, 0.0008991300000000, -0.0108908700000000 ] - [ -0.0143509600000000, 0.0029703700000000, -0.0108137300000000 ] - [ -0.0093905500000000, -0.0059132800000000, 0.0115535600000000 ] - [ 0.0071326400000000, -0.0073768800000000, 0.0084038200000000 ] - [ 0.0002859400000000, -0.0022024300000000, -0.0047678700000000 ] - [ -0.0000591900000000, -0.0010009300000000, -0.0012302000000000 ] - [ -0.0001302700000000, 0.0018445000000000, 0.0035876600000000 ] - [ 0.0004248900000000, 0.0007430900000000, 0.0012704000000000 ]- atom: 73 displacement: [ -0.0038283560719029, 0.0000000000000000, 0.0092381648495101 ] forces: - [ -0.0022159400000000, 0.0012684200000000, -0.0031140300000000 ] - [ 0.0011596500000000, 0.0016250200000000, -0.0025196400000000 ] - [ -0.0007849600000000, -0.0006147900000000, -0.0023150500000000 ] - [ -0.0011436700000000, -0.0004266200000000, -0.0009847600000000 ] - [ -0.0004962800000000, 0.0098805600000000, -0.0048056500000000 ] - [ -0.0001727500000000, 0.0001177400000000, -0.0008944000000000 ] - [ 0.0040243000000000, 0.0003570700000000, 0.0032215300000000 ] - [ 0.0015795500000000, 0.0171408000000000, 0.0162608800000000 ] - [ -0.0018262300000000, -0.0008520800000000, -0.0022922100000000 ] - [ 0.0013123400000000, -0.0002172500000000, -0.0025107900000000 ] - [ 0.0013200100000000, 0.0020188100000000, -0.0036775300000000 ] - [ 0.0000590000000000, 0.0001337500000000, -0.0010966400000000 ] - [ 0.0008858900000000, -0.0008548600000000, 0.0029128300000000 ] - [ -0.0012005100000000, -0.0005194400000000, 0.0019448300000000 ] - [ 0.0026108300000000, 0.0002117200000000, 0.0006446100000000 ] - [ -0.0016335500000000, -0.0024155100000000, 0.0004595700000000 ] - [ 0.0024681000000000, -0.0014260300000000, -0.0047391600000000 ] - [ 0.0000609000000000, 0.0001267900000000, -0.0012391800000000 ] - [ -0.0020040200000000, 0.0007584200000000, -0.0013136300000000 ] - [ 0.0011867900000000, 0.0005220300000000, -0.0026989800000000 ] - [ 0.0042870900000000, 0.0000954700000000, 0.0009550000000000 ] - [ -0.0107186100000000, 0.0039242700000000, 0.0082597600000000 ] - [ 0.0002352100000000, -0.0033089700000000, 0.0000719200000000 ] - [ -0.0003264800000000, -0.0005428500000000, 0.0009072300000000 ] - [ 0.0014543300000000, 0.0010891900000000, -0.0032270700000000 ] - [ -0.0014060800000000, 0.0008853000000000, -0.0024592900000000 ] - [ -0.0065374200000000, 0.0037458100000000, 0.0189804700000000 ] - [ 0.0073497400000000, 0.0039387100000000, 0.0123273200000000 ] - [ 0.0003641000000000, 0.0009209300000000, -0.0058875200000000 ] - [ -0.0007340900000000, -0.0005343000000000, -0.0052871200000000 ] - [ -0.0026653500000000, -0.0039446000000000, 0.0015130900000000 ] - [ 0.0027381000000000, -0.0011164700000000, 0.0014685100000000 ] - [ -0.0012174000000000, -0.0057262400000000, 0.0066334400000000 ] - [ 0.0009123800000000, -0.0011686100000000, 0.0028296600000000 ] - [ 0.0002995800000000, -0.0006833500000000, -0.0020479200000000 ] - [ -0.0023449900000000, -0.0031394900000000, -0.0090753400000000 ] - [ -0.0018584600000000, 0.0007240600000000, 0.0035086800000000 ] - [ 0.0038526900000000, 0.0062845100000000, -0.0021090300000000 ] - [ 0.0006268100000000, -0.0015188300000000, -0.0035747100000000 ] - [ -0.0008110300000000, -0.0013332300000000, -0.0028295300000000 ] - [ 0.0011023900000000, -0.0001881800000000, 0.0035689700000000 ] - [ -0.0034924700000000, -0.0055864200000000, 0.0094975200000000 ] - [ 0.0009310000000000, -0.0021139500000000, -0.0045384700000000 ] - [ -0.0002751300000000, -0.0001573400000000, -0.0022741600000000 ] - [ -0.0040144100000000, -0.0017385500000000, 0.0187154100000000 ] - [ -0.0024635400000000, 0.0014105800000000, 0.0052964100000000 ] - [ -0.0005125600000000, 0.0001854500000000, -0.0023522100000000 ] - [ 0.0010763800000000, 0.0000787200000000, -0.0029003000000000 ] - [ -0.0091885700000000, -0.0047430600000000, 0.0120616300000000 ] - [ 0.0013129000000000, -0.0010427600000000, 0.0041815100000000 ] - [ 0.0020987100000000, -0.0003707500000000, -0.0042128600000000 ] - [ -0.0016480900000000, -0.0013301400000000, -0.0028697300000000 ] - [ -0.0097120100000000, 0.0011694800000000, 0.0092259900000000 ] - [ 0.0103079600000000, -0.0003073900000000, -0.0004373600000000 ] - [ 0.0009329200000000, 0.0002972000000000, -0.0031347000000000 ] - [ -0.0002934100000000, 0.0000842600000000, -0.0028516900000000 ] - [ -0.0028891500000000, -0.0004994600000000, 0.0060818700000000 ] - [ 0.0020363500000000, 0.0002980200000000, 0.0044815300000000 ] - [ 0.0014377600000000, -0.0005579200000000, 0.0004326500000000 ] - [ -0.0021923900000000, -0.0027206700000000, 0.0053007600000000 ] - [ -0.0017798300000000, 0.0005279000000000, 0.0022566600000000 ] - [ 0.0091237300000000, -0.0169258000000000, 0.0388858100000000 ] - [ 0.0003850400000000, 0.0143679400000000, -0.0053371800000000 ] - [ -0.0019911100000000, 0.0009485300000000, -0.0042455800000000 ] - [ -0.0020883900000000, 0.0007865900000000, 0.0044254600000000 ] - [ 0.0003948300000000, 0.0006414100000000, 0.0038526900000000 ] - [ 0.0145297100000000, -0.0078169300000000, -0.0223811600000000 ] - [ -0.0303961300000000, -0.0145339300000000, -0.0049559900000000 ] - [ 0.0004793200000000, -0.0004041100000000, 0.0050238900000000 ] - [ 0.0022193500000000, 0.0054604000000000, 0.0081208200000000 ] - [ 0.0104467200000000, 0.0115757100000000, -0.0083277800000000 ] - [ -0.0027447700000000, 0.0004823700000000, -0.0035142200000000 ] - [ 0.0376125800000000, -0.0167852900000000, -0.1227119900000000 ] - [ -0.0070410800000000, 0.0000846900000000, -0.0082334600000000 ] - [ -0.0002095500000000, -0.0004812100000000, 0.0029421700000000 ] - [ 0.0020104000000000, -0.0026276800000000, 0.0056794100000000 ] - [ 0.0076629600000000, 0.0062828200000000, -0.0024898400000000 ] - [ -0.0123445100000000, 0.0130885900000000, 0.0058756000000000 ] - [ -0.0026178800000000, -0.0006115900000000, 0.0074875300000000 ] - [ 0.0015646100000000, -0.0009015200000000, 0.0056084700000000 ] - [ -0.0170163900000000, 0.0147543800000000, 0.0063390800000000 ] - [ 0.0114354500000000, 0.0032308600000000, -0.0027400300000000 ] - [ -0.0102251200000000, -0.0104096700000000, -0.0027493100000000 ] - [ 0.0061076000000000, -0.0054256600000000, -0.0079869700000000 ] - [ 0.0010069600000000, 0.0011049100000000, 0.0047457200000000 ] - [ -0.0012007200000000, 0.0005560600000000, 0.0033945400000000 ] - [ 0.0036093300000000, -0.0035036700000000, 0.0204525800000000 ] - [ -0.0021773500000000, -0.0010590500000000, 0.0051102000000000 ]- atom: 73 displacement: [ 0.0038283560719029, 0.0000000000000000, -0.0092381648495101 ] forces: - [ 0.0029294600000000, -0.0003924900000000, 0.0034728100000000 ] - [ -0.0004260300000000, -0.0007424300000000, 0.0028765400000000 ] - [ 0.0000497700000000, 0.0014930400000000, 0.0019528700000000 ] - [ 0.0004217100000000, 0.0013152600000000, 0.0006405100000000 ] - [ -0.0002085200000000, -0.0108305400000000, 0.0044747700000000 ] - [ -0.0005658400000000, -0.0009968700000000, 0.0005293100000000 ] - [ -0.0032882900000000, -0.0012331300000000, -0.0028704100000000 ] - [ -0.0010503100000000, -0.0183384700000000, -0.0159031900000000 ] - [ 0.0014596100000000, 0.0011454700000000, 0.0021367900000000 ] - [ -0.0016555700000000, 0.0005106500000000, 0.0023466800000000 ] - [ -0.0009629100000000, -0.0017045700000000, 0.0038269400000000 ] - [ 0.0002995300000000, 0.0001677100000000, 0.0012705000000000 ] - [ 0.0000366100000000, 0.0006534400000000, -0.0037606100000000 ] - [ 0.0015417200000000, 0.0002258200000000, -0.0017764000000000 ] - [ -0.0029695200000000, -0.0005098900000000, -0.0008142400000000 ] - [ 0.0012684500000000, 0.0020724100000000, -0.0006646400000000 ] - [ -0.0015537700000000, 0.0020072700000000, 0.0045165600000000 ] - [ 0.0008481000000000, 0.0004629500000000, 0.0010557700000000 ] - [ 0.0010897600000000, -0.0001600800000000, 0.0015192600000000 ] - [ -0.0020790700000000, 0.0000780000000000, 0.0028891700000000 ] - [ -0.0052106100000000, -0.0006959100000000, -0.0007567400000000 ] - [ 0.0097015400000000, -0.0044199100000000, -0.0085351600000000 ] - [ 0.0006954400000000, 0.0027045900000000, -0.0003053100000000 ] - [ 0.0012196400000000, -0.0000548900000000, -0.0011033800000000 ] - [ -0.0011777100000000, -0.0005497500000000, 0.0035221300000000 ] - [ 0.0016889700000000, -0.0003413200000000, 0.0027480100000000 ] - [ 0.0065618100000000, -0.0033772400000000, -0.0193308700000000 ] - [ -0.0075962300000000, -0.0033811000000000, -0.0125183300000000 ] - [ -0.0006460900000000, -0.0014558000000000, 0.0055639100000000 ] - [ 0.0004594300000000, 0.0000004700000000, 0.0049844800000000 ] - [ 0.0029204200000000, 0.0033802100000000, -0.0011444000000000 ] - [ -0.0024400500000000, 0.0005739600000000, -0.0011502000000000 ] - [ 0.0012354900000000, 0.0059641800000000, -0.0063919400000000 ] - [ -0.0008803300000000, 0.0013983200000000, -0.0025961600000000 ] - [ -0.0003327200000000, 0.0009088500000000, 0.0018172200000000 ] - [ 0.0023416700000000, 0.0033641000000000, 0.0088728700000000 ] - [ 0.0018278200000000, -0.0009671100000000, -0.0036974200000000 ] - [ -0.0038481500000000, -0.0064654300000000, 0.0018685300000000 ] - [ -0.0005964100000000, 0.0012823700000000, 0.0037942600000000 ] - [ 0.0008385000000000, 0.0011009100000000, 0.0030533900000000 ] - [ -0.0009586200000000, -0.0001379400000000, -0.0033318500000000 ] - [ 0.0034890000000000, 0.0053185100000000, -0.0091853800000000 ] - [ -0.0010495900000000, 0.0017992200000000, 0.0043084900000000 ] - [ 0.0001460100000000, -0.0001677300000000, 0.0020301100000000 ] - [ 0.0029786400000000, 0.0017965300000000, -0.0176752900000000 ] - [ 0.0023598200000000, -0.0010699000000000, -0.0054969800000000 ] - [ 0.0006310100000000, 0.0001430800000000, 0.0025816700000000 ] - [ -0.0009540700000000, 0.0002485300000000, 0.0031312700000000 ] - [ 0.0091546000000000, 0.0046119000000000, -0.0118125300000000 ] - [ -0.0014105700000000, 0.0007612100000000, -0.0039888500000000 ] - [ -0.0020058900000000, 0.0000988600000000, 0.0040364400000000 ] - [ 0.0017582000000000, 0.0010628500000000, 0.0026823000000000 ] - [ 0.0099122300000000, -0.0009305400000000, -0.0090050100000000 ] - [ -0.0101452800000000, 0.0005856600000000, 0.0002587000000000 ] - [ -0.0010316500000000, -0.0000189000000000, 0.0033016900000000 ] - [ 0.0001984800000000, 0.0001932000000000, 0.0030196200000000 ] - [ 0.0028517000000000, -0.0005891900000000, -0.0058990800000000 ] - [ -0.0020445500000000, -0.0013789500000000, -0.0043139900000000 ] - [ -0.0014200200000000, -0.0005321100000000, -0.0006267400000000 ] - [ 0.0022019500000000, 0.0016082300000000, -0.0054394300000000 ] - [ 0.0018084800000000, 0.0005635300000000, -0.0024156900000000 ] - [ -0.0093170900000000, 0.0182780400000000, -0.0395821100000000 ] - [ -0.0004502000000000, -0.0132002900000000, 0.0055826700000000 ] - [ 0.0019757900000000, 0.0001431800000000, 0.0044145600000000 ] - [ 0.0004017600000000, -0.0002386100000000, -0.0049102000000000 ] - [ -0.0020871600000000, -0.0001031700000000, -0.0043408800000000 ] - [ -0.0128916700000000, 0.0083594200000000, 0.0226855300000000 ] - [ 0.0317525500000000, 0.0148977700000000, 0.0054319700000000 ] - [ 0.0012236700000000, -0.0001306500000000, -0.0045039300000000 ] - [ -0.0005403000000000, -0.0060222900000000, -0.0076259200000000 ] - [ -0.0120497700000000, -0.0122224800000000, 0.0076664600000000 ] - [ 0.0010366400000000, -0.0010241500000000, 0.0029920900000000 ] - [ -0.0378946300000000, 0.0169037500000000, 0.1229139900000000 ] - [ 0.0061306500000000, -0.0003053500000000, 0.0084043200000000 ] - [ 0.0010797300000000, 0.0002566700000000, -0.0031084400000000 ] - [ -0.0011652100000000, 0.0024233200000000, -0.0058320400000000 ] - [ -0.0068227900000000, -0.0060596900000000, 0.0022156000000000 ] - [ 0.0131083000000000, -0.0127207700000000, -0.0060469900000000 ] - [ 0.0017501000000000, 0.0008298700000000, -0.0072925100000000 ] - [ -0.0024282700000000, 0.0011197000000000, -0.0054200300000000 ] - [ 0.0174515600000000, -0.0148141100000000, -0.0058749500000000 ] - [ -0.0110600800000000, -0.0031695900000000, 0.0032337900000000 ] - [ 0.0099448800000000, 0.0105598500000000, 0.0023761000000000 ] - [ -0.0063660800000000, 0.0054849400000000, 0.0075795600000000 ] - [ -0.0012901300000000, -0.0011700200000000, -0.0051891700000000 ] - [ 0.0008761500000000, -0.0006263500000000, -0.0038408200000000 ] - [ -0.0032367000000000, 0.0034032500000000, -0.0198431700000000 ] - [ 0.0024510900000000, 0.0009886200000000, -0.0046588600000000 ]- atom: 81 displacement: [ 0.0099999278170813, 0.0000000000000000, -0.0000379954360843 ] forces: - [ -0.0004824300000000, 0.0003546900000000, 0.0004200400000000 ] - [ 0.0012493900000000, 0.0003647300000000, -0.0001086200000000 ] - [ -0.0006440900000000, 0.0004946400000000, -0.0000215100000000 ] - [ -0.0000419400000000, 0.0002876600000000, -0.0002921000000000 ] - [ -0.0003565100000000, 0.0034236900000000, -0.0012194200000000 ] - [ -0.0045042700000000, -0.0014933500000000, -0.0001646500000000 ] - [ 0.0117571300000000, -0.0043371900000000, 0.0011059600000000 ] - [ -0.0128630300000000, 0.0007337100000000, 0.0047018100000000 ] - [ -0.0003424900000000, 0.0001838400000000, 0.0002616200000000 ] - [ -0.0000243000000000, 0.0001693200000000, -0.0004171500000000 ] - [ 0.0004229800000000, 0.0002701500000000, 0.0003339200000000 ] - [ 0.0000830000000000, 0.0000038400000000, -0.0001338600000000 ] - [ 0.0128986200000000, -0.0084654800000000, 0.0006003700000000 ] - [ -0.0063785700000000, -0.0008842100000000, 0.0001844300000000 ] - [ 0.0054983900000000, 0.0153508300000000, 0.0000671500000000 ] - [ -0.0081880100000000, -0.0038239900000000, -0.0007668500000000 ] - [ 0.0005511100000000, 0.0003359900000000, 0.0001872100000000 ] - [ 0.0003762900000000, 0.0002896400000000, -0.0003300900000000 ] - [ -0.0008427700000000, 0.0001883100000000, 0.0005431200000000 ] - [ 0.0000220500000000, 0.0005080100000000, 0.0000873900000000 ] - [ 0.0028643100000000, -0.0117217500000000, -0.0003338900000000 ] - [ -0.0082080400000000, 0.0023752800000000, 0.0009938200000000 ] - [ 0.0121374900000000, 0.0070974700000000, -0.0020582900000000 ] - [ -0.0085532900000000, 0.0029465800000000, 0.0024216700000000 ] - [ 0.0046100900000000, 0.0012964600000000, 0.0011204100000000 ] - [ -0.0036788800000000, -0.0003957600000000, -0.0002112900000000 ] - [ 0.0108804300000000, -0.0005848200000000, -0.0005531200000000 ] - [ -0.0061124800000000, 0.0007606500000000, -0.0008505600000000 ] - [ -0.0009993700000000, -0.0008603500000000, 0.0067125600000000 ] - [ -0.0029058300000000, -0.0001131700000000, -0.0048934100000000 ] - [ 0.0004266500000000, -0.0008051400000000, 0.0025648500000000 ] - [ -0.0003629000000000, 0.0004029900000000, -0.0023854000000000 ] - [ -0.0017956700000000, -0.0039578600000000, 0.0055489800000000 ] - [ -0.0023623700000000, 0.0068593300000000, -0.0053997700000000 ] - [ -0.0031088700000000, -0.0021671100000000, 0.0021469000000000 ] - [ -0.0036268000000000, 0.0009188400000000, -0.0036441400000000 ] - [ 0.0012370500000000, -0.0012046100000000, 0.0014122400000000 ] - [ -0.0009432600000000, -0.0000133300000000, -0.0004132800000000 ] - [ 0.0011402700000000, 0.0000271800000000, 0.0004139500000000 ] - [ -0.0009440500000000, -0.0001634000000000, -0.0001064800000000 ] - [ 0.0026059700000000, -0.0000796800000000, -0.0020034000000000 ] - [ -0.0022945700000000, -0.0003193000000000, 0.0013024400000000 ] - [ 0.0041972800000000, -0.0017033700000000, -0.0096881200000000 ] - [ -0.0067830500000000, 0.0005207500000000, 0.0022766500000000 ] - [ -0.0031263300000000, -0.0003526000000000, 0.0016038300000000 ] - [ 0.0044067300000000, 0.0008325600000000, -0.0007254900000000 ] - [ -0.0027216500000000, 0.0008059500000000, 0.0017292200000000 ] - [ 0.0030170500000000, -0.0009570200000000, -0.0015459900000000 ] - [ 0.0019943200000000, 0.0010472000000000, 0.0015229600000000 ] - [ -0.0029049100000000, -0.0008677400000000, -0.0003772600000000 ] - [ 0.0120414100000000, -0.0012057400000000, -0.0043271600000000 ] - [ -0.0057347900000000, -0.0004430400000000, -0.0011585900000000 ] - [ 0.0007282400000000, 0.0004334300000000, 0.0031736800000000 ] - [ -0.0016071800000000, 0.0004213800000000, -0.0022923300000000 ] - [ 0.0016281400000000, 0.0010310900000000, 0.0020321500000000 ] - [ -0.0018821000000000, -0.0003165300000000, -0.0017312600000000 ] - [ -0.0008014800000000, -0.0007597200000000, 0.0000149000000000 ] - [ 0.0007244900000000, -0.0003907000000000, 0.0001389400000000 ] - [ -0.0002108500000000, -0.0001624100000000, -0.0006215900000000 ] - [ 0.0002755500000000, -0.0007076200000000, 0.0000202200000000 ] - [ 0.0093918000000000, 0.0070377700000000, -0.0019655500000000 ] - [ 0.0151713900000000, -0.0113161400000000, 0.0050787700000000 ] - [ 0.0203376500000000, 0.0120423900000000, -0.0101429500000000 ] - [ 0.0209000000000000, -0.0248990900000000, 0.0074400200000000 ] - [ -0.0048886300000000, 0.0002765900000000, -0.0015263900000000 ] - [ 0.0025033000000000, 0.0000575900000000, 0.0007186800000000 ] - [ -0.0045254500000000, 0.0006753200000000, -0.0052808300000000 ] - [ 0.0046728900000000, 0.0003996600000000, 0.0017483700000000 ] - [ 0.0139439000000000, 0.0030119400000000, -0.0135355600000000 ] - [ 0.0119096800000000, -0.0009892800000000, 0.0095510300000000 ] - [ -0.0001581000000000, 0.0038833800000000, -0.0040215500000000 ] - [ -0.0002947000000000, -0.0047375700000000, 0.0038125000000000 ] - [ 0.0078013900000000, -0.0083685400000000, -0.0151472100000000 ] - [ 0.0077109000000000, 0.0143728800000000, 0.0157105300000000 ] - [ 0.0066659600000000, -0.0094684200000000, -0.0084442100000000 ] - [ 0.0077109800000000, 0.0071529100000000, 0.0096826800000000 ] - [ -0.0028292100000000, -0.0003561900000000, -0.0002286000000000 ] - [ 0.0033274400000000, 0.0000171600000000, -0.0000338400000000 ] - [ -0.0114610400000000, -0.0001875800000000, -0.0008314300000000 ] - [ 0.0047436500000000, 0.0003815700000000, -0.0003040600000000 ] - [ -0.1114562500000000, 0.0125034000000000, 0.0117499700000000 ] - [ 0.0185996800000000, -0.0005672000000000, 0.0003397400000000 ] - [ -0.0219965300000000, -0.0028895200000000, -0.0000842400000000 ] - [ 0.0105961900000000, 0.0005093500000000, -0.0006169800000000 ] - [ 0.0004445200000000, -0.0004597900000000, -0.0024931700000000 ] - [ -0.0006653200000000, 0.0003445100000000, 0.0020944800000000 ] - [ 0.0010551000000000, 0.0006616300000000, -0.0034354000000000 ] - [ -0.0006484700000000, -0.0005679700000000, 0.0032969000000000 ]- atom: 81 displacement: [ -0.0099999278170813, 0.0000000000000000, 0.0000379954360843 ] forces: - [ 0.0012062300000000, 0.0005138800000000, -0.0000535900000000 ] - [ -0.0005268300000000, 0.0005069800000000, 0.0004628800000000 ] - [ -0.0000822700000000, 0.0003729200000000, -0.0003427100000000 ] - [ -0.0006782800000000, 0.0005767700000000, -0.0000633200000000 ] - [ -0.0003854400000000, -0.0042808000000000, 0.0008412100000000 ] - [ 0.0037968400000000, 0.0006197300000000, -0.0001979900000000 ] - [ -0.0100399400000000, 0.0033613200000000, -0.0001563200000000 ] - [ 0.0136911600000000, -0.0016016800000000, -0.0044334100000000 ] - [ -0.0000160700000000, 0.0001199400000000, -0.0004213000000000 ] - [ -0.0003330900000000, 0.0001326700000000, 0.0002486000000000 ] - [ -0.0000702400000000, 0.0000279000000000, -0.0001747100000000 ] - [ 0.0002764000000000, 0.0002974800000000, 0.0003079800000000 ] - [ -0.0129118200000000, 0.0088221700000000, -0.0003660400000000 ] - [ 0.0067327900000000, 0.0005456300000000, -0.0000178300000000 ] - [ -0.0056869900000000, -0.0156495800000000, -0.0001960300000000 ] - [ 0.0078139400000000, 0.0035508700000000, 0.0006136000000000 ] - [ 0.0003458700000000, 0.0002596700000000, -0.0003846800000000 ] - [ 0.0005233000000000, 0.0003038800000000, 0.0001400000000000 ] - [ -0.0000599300000000, 0.0004025000000000, -0.0003386900000000 ] - [ -0.0009216200000000, 0.0000828600000000, 0.0000991200000000 ] - [ -0.0036187600000000, 0.0111721900000000, 0.0005533600000000 ] - [ 0.0072763700000000, -0.0029843400000000, -0.0008001600000000 ] - [ -0.0116772600000000, -0.0083095800000000, 0.0019574000000000 ] - [ 0.0094336200000000, -0.0034950800000000, -0.0026075200000000 ] - [ -0.0043161000000000, -0.0007592500000000, -0.0008041800000000 ] - [ 0.0039560500000000, 0.0009354100000000, 0.0005379000000000 ] - [ -0.0111732600000000, 0.0011710800000000, 0.0003656500000000 ] - [ 0.0058304900000000, -0.0002285200000000, 0.0005093800000000 ] - [ 0.0007307700000000, 0.0003329600000000, -0.0070282400000000 ] - [ 0.0025999200000000, -0.0004182600000000, 0.0045703700000000 ] - [ -0.0001523200000000, 0.0002672100000000, -0.0022501600000000 ] - [ 0.0006469700000000, -0.0009404600000000, 0.0026893800000000 ] - [ 0.0018056200000000, 0.0042065200000000, -0.0053508400000000 ] - [ 0.0023808000000000, -0.0065946900000000, 0.0055891000000000 ] - [ 0.0030822500000000, 0.0023713300000000, -0.0023392300000000 ] - [ 0.0035945900000000, -0.0007063400000000, 0.0034410000000000 ] - [ -0.0012534300000000, 0.0009581300000000, -0.0015828600000000 ] - [ 0.0009151200000000, -0.0002028200000000, 0.0001888900000000 ] - [ -0.0011154000000000, -0.0002457400000000, -0.0002057200000000 ] - [ 0.0009683600000000, -0.0000544700000000, 0.0003253100000000 ] - [ -0.0024640700000000, -0.0002407700000000, 0.0022388000000000 ] - [ 0.0024073200000000, -0.0000010600000000, -0.0010717600000000 ] - [ -0.0045333200000000, 0.0013400100000000, 0.0092463200000000 ] - [ 0.0066575100000000, -0.0008380100000000, -0.0024831900000000 ] - [ 0.0029877700000000, 0.0006677100000000, -0.0018489800000000 ] - [ -0.0044830700000000, -0.0004961100000000, 0.0005126200000000 ] - [ 0.0028448100000000, -0.0004837000000000, -0.0014852600000000 ] - [ -0.0028975000000000, 0.0012746100000000, 0.0017806000000000 ] - [ -0.0021039100000000, -0.0013131900000000, -0.0013464000000000 ] - [ 0.0028072300000000, 0.0005882300000000, 0.0005394000000000 ] - [ -0.0116911500000000, 0.0007952500000000, 0.0036778800000000 ] - [ 0.0058168700000000, 0.0001737000000000, 0.0010242900000000 ] - [ -0.0006588800000000, -0.0001356500000000, -0.0032868500000000 ] - [ 0.0017030500000000, -0.0001498200000000, 0.0021047800000000 ] - [ -0.0017196300000000, -0.0007600200000000, -0.0018606900000000 ] - [ 0.0017814700000000, 0.0005893500000000, 0.0019050200000000 ] - [ 0.0007812800000000, -0.0003337100000000, 0.0001556000000000 ] - [ -0.0007423300000000, -0.0007024800000000, 0.0000170200000000 ] - [ 0.0002251200000000, -0.0009156800000000, 0.0004323500000000 ] - [ -0.0002509500000000, -0.0003844000000000, -0.0001724700000000 ] - [ -0.0093835400000000, -0.0058701000000000, 0.0018047100000000 ] - [ -0.0151325600000000, 0.0124816200000000, -0.0052310200000000 ] - [ -0.0204110200000000, -0.0111647600000000, 0.0103706700000000 ] - [ -0.0207628900000000, 0.0256544800000000, -0.0071488700000000 ] - [ 0.0031905300000000, 0.0002599300000000, 0.0010302400000000 ] - [ -0.0041912400000000, 0.0004732100000000, -0.0012292800000000 ] - [ 0.0061665400000000, -0.0001324900000000, 0.0056363800000000 ] - [ -0.0029780700000000, 0.0001345000000000, -0.0012161800000000 ] - [ -0.0122488500000000, -0.0035580800000000, 0.0139278900000000 ] - [ -0.0101844100000000, 0.0004282000000000, -0.0091270200000000 ] - [ -0.0015232000000000, -0.0044341100000000, 0.0035234900000000 ] - [ -0.0014166700000000, 0.0041809100000000, -0.0042951300000000 ] - [ -0.0085960800000000, 0.0082234400000000, 0.0154206400000000 ] - [ -0.0085746800000000, -0.0144742700000000, -0.0154117500000000 ] - [ -0.0058124100000000, 0.0091885800000000, 0.0082050800000000 ] - [ -0.0068269400000000, -0.0074131300000000, -0.0098984700000000 ] - [ 0.0036855800000000, 0.0005576500000000, 0.0000384000000000 ] - [ -0.0024557000000000, 0.0002134300000000, -0.0001361500000000 ] - [ 0.0105794800000000, 0.0004178000000000, 0.0010556000000000 ] - [ -0.0056011800000000, -0.0001530500000000, 0.0004592700000000 ] - [ 0.1111227000000000, -0.0119958600000000, -0.0115927200000000 ] - [ -0.0182927000000000, 0.0006462500000000, 0.0000800800000000 ] - [ 0.0216653800000000, 0.0029392400000000, -0.0003684500000000 ] - [ -0.0108855200000000, -0.0004444100000000, 0.0001673300000000 ] - [ -0.0007485300000000, 0.0003859400000000, 0.0020432100000000 ] - [ 0.0003602600000000, -0.0004180300000000, -0.0025390900000000 ] - [ -0.0007401400000000, -0.0007360500000000, 0.0038717600000000 ] - [ 0.0009398500000000, 0.0004945200000000, -0.0028452900000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003193700000000, 0.0007775200000000, -0.0002156700000000 ] - [ 0.0000483900000000, 0.0011819000000000, -0.0001917200000000 ] - [ -0.0004251100000000, 0.0001309100000000, -0.0004001800000000 ] - [ -0.0006328700000000, 0.0002473600000000, -0.0005756900000000 ] - [ 0.0014684900000000, -0.0131458700000000, 0.0025103200000000 ] - [ -0.0022845900000000, -0.0072808200000000, 0.0019423300000000 ] - [ 0.0019084000000000, 0.0142721900000000, 0.0036119700000000 ] - [ -0.0019617800000000, 0.0096182700000000, 0.0030272500000000 ] - [ 0.0000196300000000, -0.0001647100000000, -0.0004260300000000 ] - [ -0.0001414700000000, -0.0000289100000000, -0.0002145500000000 ] - [ 0.0004503800000000, 0.0004259800000000, -0.0004069900000000 ] - [ 0.0001148100000000, 0.0003641900000000, -0.0003828900000000 ] - [ -0.0069330500000000, 0.0184483100000000, 0.0011420400000000 ] - [ -0.0038659900000000, 0.0012989100000000, 0.0002157100000000 ] - [ 0.0079345900000000, -0.0086891700000000, 0.0016716000000000 ] - [ -0.0073305200000000, -0.0021249200000000, 0.0003413000000000 ] - [ 0.0005465700000000, 0.0001686900000000, -0.0003095100000000 ] - [ 0.0004149300000000, 0.0001574100000000, -0.0004774700000000 ] - [ -0.0002325300000000, 0.0004968500000000, -0.0004244900000000 ] - [ -0.0006273700000000, 0.0003427800000000, -0.0004055000000000 ] - [ -0.0101474400000000, -0.0096560600000000, -0.0009319400000000 ] - [ 0.0079671000000000, -0.0033435600000000, -0.0003489900000000 ] - [ 0.0023870800000000, 0.0171987100000000, -0.0018697700000000 ] - [ 0.0054052100000000, 0.0015063700000000, -0.0002476100000000 ] - [ 0.0000556900000000, -0.0051843900000000, -0.0015885700000000 ] - [ -0.0006412200000000, -0.0010837200000000, 0.0003293400000000 ] - [ -0.0015715600000000, 0.0078264200000000, 0.0026684100000000 ] - [ -0.0004281100000000, 0.0014530400000000, 0.0001961500000000 ] - [ 0.0009254700000000, 0.0012927100000000, -0.0020994400000000 ] - [ -0.0007025900000000, 0.0009955500000000, -0.0004487600000000 ] - [ 0.0006881700000000, -0.0013674300000000, 0.0000299900000000 ] - [ 0.0001186700000000, -0.0010327200000000, 0.0003160700000000 ] - [ -0.0026751300000000, -0.0029534900000000, 0.0058376300000000 ] - [ 0.0022225200000000, -0.0011443200000000, 0.0041551100000000 ] - [ -0.0021078800000000, 0.0031157900000000, 0.0036579900000000 ] - [ 0.0035593300000000, 0.0026747100000000, 0.0061261300000000 ] - [ -0.0004992700000000, 0.0026391000000000, -0.0022682500000000 ] - [ 0.0000780700000000, 0.0006225500000000, -0.0002601300000000 ] - [ -0.0001922400000000, -0.0018099800000000, -0.0001341300000000 ] - [ 0.0001181000000000, -0.0008570200000000, -0.0000385000000000 ] - [ -0.0006481200000000, -0.0030561600000000, -0.0004364100000000 ] - [ 0.0003386500000000, -0.0024811900000000, -0.0003592300000000 ] - [ -0.0019350900000000, 0.0082387900000000, -0.0017200400000000 ] - [ 0.0014533200000000, 0.0014907700000000, -0.0006572600000000 ] - [ 0.0015942000000000, 0.0007709500000000, -0.0016194400000000 ] - [ -0.0016302800000000, -0.0003493300000000, -0.0024607300000000 ] - [ 0.0010284500000000, -0.0002992900000000, -0.0009336500000000 ] - [ 0.0000509900000000, -0.0005102000000000, -0.0012643000000000 ] - [ 0.0003409100000000, -0.0044671700000000, -0.0011914100000000 ] - [ 0.0000088700000000, -0.0015871100000000, -0.0001965100000000 ] - [ 0.0008350700000000, 0.0080241400000000, -0.0010481700000000 ] - [ -0.0003796100000000, 0.0020621800000000, -0.0004316900000000 ] - [ 0.0005842500000000, -0.0006685300000000, -0.0033197400000000 ] - [ -0.0002286500000000, 0.0002980700000000, -0.0006761900000000 ] - [ 0.0000275100000000, -0.0003413700000000, -0.0013639600000000 ] - [ -0.0006072200000000, -0.0001248300000000, -0.0009772100000000 ] - [ -0.0001388800000000, -0.0007268800000000, -0.0001403800000000 ] - [ -0.0001586300000000, -0.0005416800000000, 0.0003444200000000 ] - [ -0.0000231500000000, -0.0009537900000000, 0.0007934800000000 ] - [ -0.0000894700000000, -0.0006142900000000, 0.0002562100000000 ] - [ 0.0146442900000000, 0.0058839900000000, -0.0079241900000000 ] - [ -0.0208627900000000, 0.0174830500000000, -0.0118126800000000 ] - [ 0.0233971900000000, -0.0036808300000000, -0.0136545000000000 ] - [ -0.0205841600000000, -0.0046433600000000, -0.0111241800000000 ] - [ -0.0002969700000000, 0.0030292800000000, 0.0025414000000000 ] - [ -0.0010222100000000, 0.0016628000000000, -0.0002090000000000 ] - [ 0.0027543900000000, -0.0018852100000000, 0.0090427300000000 ] - [ 0.0002228900000000, -0.0011015100000000, -0.0000587600000000 ] - [ -0.0015362600000000, -0.0084659200000000, -0.0004932700000000 ] - [ 0.0014418400000000, -0.0084643900000000, -0.0027145600000000 ] - [ -0.0016087900000000, 0.0057565700000000, -0.0013213000000000 ] - [ -0.0007435000000000, 0.0042192600000000, -0.0017441400000000 ] - [ -0.0119117100000000, -0.0009605400000000, 0.0113641700000000 ] - [ 0.0073494000000000, -0.0030870800000000, 0.0067692400000000 ] - [ -0.0083714800000000, 0.0058593900000000, 0.0075837900000000 ] - [ 0.0084074100000000, 0.0072876000000000, 0.0091057600000000 ] - [ 0.0007068200000000, 0.0022749100000000, 0.0012797500000000 ] - [ 0.0000938400000000, 0.0010761700000000, 0.0004303600000000 ] - [ 0.0002780800000000, -0.0017374100000000, 0.0041411600000000 ] - [ -0.0007831200000000, -0.0006602000000000, 0.0010399500000000 ] - [ 0.0132045500000000, -0.0881094400000000, -0.0116553500000000 ] - [ -0.0004702400000000, -0.0055848000000000, 0.0000447800000000 ] - [ 0.0027636300000000, 0.0365141600000000, -0.0007390100000000 ] - [ -0.0006480200000000, 0.0061030700000000, -0.0002761200000000 ] - [ -0.0005777700000000, 0.0004580800000000, 0.0007420400000000 ] - [ 0.0002250800000000, 0.0003890600000000, 0.0005449200000000 ] - [ -0.0005370700000000, -0.0007160300000000, 0.0021331200000000 ] - [ 0.0006913300000000, -0.0004529000000000, 0.0012535400000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004026300000000, 0.0000970200000000, 0.0005653300000000 ] - [ 0.0006669800000000, -0.0002942700000000, 0.0005343300000000 ] - [ -0.0002932900000000, 0.0007313500000000, 0.0000479000000000 ] - [ -0.0000851300000000, 0.0006132700000000, 0.0002261000000000 ] - [ -0.0021503600000000, 0.0122494600000000, -0.0028497000000000 ] - [ 0.0015504100000000, 0.0063960000000000, -0.0022829300000000 ] - [ -0.0011007700000000, -0.0152005700000000, -0.0031852000000000 ] - [ 0.0026923800000000, -0.0105172400000000, -0.0026944800000000 ] - [ -0.0003813000000000, 0.0004692700000000, 0.0002516500000000 ] - [ -0.0002209100000000, 0.0003343500000000, 0.0000420500000000 ] - [ -0.0000860000000000, -0.0001303100000000, 0.0005737600000000 ] - [ 0.0002484400000000, -0.0000674200000000, 0.0005604400000000 ] - [ 0.0064364300000000, -0.0175855500000000, -0.0008346300000000 ] - [ 0.0042055300000000, -0.0015758500000000, -0.0000472200000000 ] - [ -0.0082377600000000, 0.0079875400000000, -0.0018117900000000 ] - [ 0.0069915700000000, 0.0018275200000000, -0.0005191700000000 ] - [ 0.0003529900000000, 0.0004303000000000, 0.0001080500000000 ] - [ 0.0004861400000000, 0.0004401700000000, 0.0002754900000000 ] - [ -0.0006694000000000, 0.0000889700000000, 0.0006265200000000 ] - [ -0.0002817900000000, 0.0002412500000000, 0.0005991900000000 ] - [ 0.0092345200000000, 0.0092995700000000, 0.0011483900000000 ] - [ -0.0088292000000000, 0.0027342200000000, 0.0005345800000000 ] - [ -0.0022218700000000, -0.0187671400000000, 0.0018060100000000 ] - [ -0.0045100100000000, -0.0021473300000000, 0.0000280400000000 ] - [ 0.0002003800000000, 0.0057392600000000, 0.0019808400000000 ] - [ 0.0009301900000000, 0.0016261500000000, 0.0000032500000000 ] - [ 0.0012180300000000, -0.0072809500000000, -0.0029594400000000 ] - [ 0.0001651500000000, -0.0009013700000000, -0.0005155300000000 ] - [ -0.0011875100000000, -0.0018177900000000, 0.0017311900000000 ] - [ 0.0004054400000000, -0.0015298000000000, 0.0001218800000000 ] - [ -0.0004082300000000, 0.0008189900000000, 0.0002691000000000 ] - [ 0.0001588900000000, 0.0004811200000000, 0.0000006100000000 ] - [ 0.0027222900000000, 0.0031996300000000, -0.0056338200000000 ] - [ -0.0022070500000000, 0.0013382000000000, -0.0039275500000000 ] - [ 0.0020687100000000, -0.0028275200000000, -0.0038458100000000 ] - [ -0.0035568900000000, -0.0023993200000000, -0.0062894400000000 ] - [ 0.0004708200000000, -0.0028950600000000, 0.0020599400000000 ] - [ -0.0001057300000000, -0.0008592000000000, 0.0000281500000000 ] - [ 0.0002211800000000, 0.0015850000000000, 0.0003885800000000 ] - [ -0.0000872000000000, 0.0006243400000000, 0.0002742600000000 ] - [ 0.0007583400000000, 0.0027312500000000, 0.0006487500000000 ] - [ -0.0002004700000000, 0.0021570300000000, 0.0005841800000000 ] - [ 0.0017529200000000, -0.0085944400000000, 0.0014633800000000 ] - [ -0.0015348900000000, -0.0018218300000000, 0.0004175200000000 ] - [ -0.0017150400000000, -0.0004382000000000, 0.0013758400000000 ] - [ 0.0015125600000000, 0.0006932700000000, 0.0022481700000000 ] - [ -0.0008997200000000, 0.0006212300000000, 0.0011751100000000 ] - [ 0.0000767800000000, 0.0008203300000000, 0.0015209700000000 ] - [ -0.0004258100000000, 0.0041904300000000, 0.0013251900000000 ] - [ -0.0001045400000000, 0.0013112700000000, 0.0003617600000000 ] - [ -0.0006928500000000, -0.0083637500000000, 0.0007859800000000 ] - [ 0.0004647800000000, -0.0023440000000000, 0.0002711900000000 ] - [ -0.0005039100000000, 0.0009718200000000, 0.0031714200000000 ] - [ 0.0003317700000000, -0.0000167600000000, 0.0005039900000000 ] - [ -0.0001325800000000, 0.0005959200000000, 0.0015512200000000 ] - [ 0.0005137500000000, 0.0004003400000000, 0.0011590400000000 ] - [ 0.0001137400000000, -0.0003957300000000, 0.0002692100000000 ] - [ 0.0001337100000000, -0.0005694000000000, -0.0002061500000000 ] - [ 0.0000475600000000, -0.0001370300000000, -0.0009461700000000 ] - [ 0.0001127600000000, -0.0004792200000000, -0.0003916500000000 ] - [ -0.0145078900000000, -0.0047794600000000, 0.0077175700000000 ] - [ 0.0206548600000000, -0.0162515900000000, 0.0115901200000000 ] - [ -0.0235719100000000, 0.0047961100000000, 0.0138898900000000 ] - [ 0.0206871200000000, 0.0059772400000000, 0.0113690200000000 ] - [ -0.0013961600000000, -0.0024550100000000, -0.0031096600000000 ] - [ -0.0006725000000000, -0.0011038800000000, -0.0002985400000000 ] - [ -0.0010742600000000, 0.0024329800000000, -0.0086303900000000 ] - [ 0.0014559300000000, 0.0016576800000000, 0.0005458700000000 ] - [ 0.0031022700000000, 0.0077846500000000, 0.0010436000000000 ] - [ 0.0003140600000000, 0.0078061500000000, 0.0031976300000000 ] - [ -0.0000964500000000, -0.0063259100000000, 0.0008553400000000 ] - [ -0.0009305200000000, -0.0047680100000000, 0.0012592500000000 ] - [ 0.0110574100000000, 0.0006801200000000, -0.0111056600000000 ] - [ -0.0082052300000000, 0.0027287100000000, -0.0065879100000000 ] - [ 0.0092772400000000, -0.0060104200000000, -0.0078231300000000 ] - [ -0.0076121200000000, -0.0074811000000000, -0.0093609500000000 ] - [ 0.0001506500000000, -0.0020705800000000, -0.0014244500000000 ] - [ 0.0007504600000000, -0.0008571400000000, -0.0005875100000000 ] - [ -0.0011055600000000, 0.0019923300000000, -0.0038973400000000 ] - [ -0.0000779800000000, 0.0008945400000000, -0.0008707400000000 ] - [ -0.0112112000000000, 0.0882461200000000, 0.0116492200000000 ] - [ 0.0007379500000000, 0.0056420200000000, 0.0004145700000000 ] - [ -0.0030498100000000, -0.0364420800000000, 0.0003290800000000 ] - [ 0.0003167200000000, -0.0060320800000000, -0.0001775600000000 ] - [ 0.0002665000000000, -0.0005183400000000, -0.0011980300000000 ] - [ -0.0005356500000000, -0.0004494100000000, -0.0010135900000000 ] - [ 0.0008448000000000, 0.0006388000000000, -0.0016611600000000 ] - [ -0.0003863000000000, 0.0003788400000000, -0.0007923900000000 ]- atom: 81 displacement: [ -0.0038283560719029, 0.0000000000000000, 0.0092381648495101 ] forces: - [ 0.0006387600000000, 0.0016178700000000, -0.0020764200000000 ] - [ -0.0013437200000000, 0.0032880400000000, -0.0035525600000000 ] - [ -0.0003501400000000, -0.0005938700000000, -0.0018735400000000 ] - [ -0.0015322500000000, 0.0005166700000000, -0.0027141000000000 ] - [ 0.0004608800000000, -0.0033588500000000, 0.0030432000000000 ] - [ 0.0019030500000000, -0.0016145900000000, 0.0033646200000000 ] - [ -0.0016643800000000, 0.0018457700000000, 0.0111561100000000 ] - [ 0.0113428300000000, 0.0012299100000000, 0.0020140700000000 ] - [ 0.0003897600000000, 0.0000830800000000, -0.0023451600000000 ] - [ -0.0009537300000000, 0.0008667700000000, -0.0020988500000000 ] - [ 0.0010277800000000, -0.0000933200000000, -0.0034130300000000 ] - [ -0.0009877000000000, -0.0001473600000000, -0.0033713200000000 ] - [ -0.0065475700000000, 0.0058753300000000, 0.0109366700000000 ] - [ 0.0025520900000000, -0.0011689800000000, 0.0038579900000000 ] - [ -0.0019936700000000, -0.0032387100000000, 0.0100751400000000 ] - [ 0.0034604900000000, 0.0026716900000000, 0.0028829700000000 ] - [ 0.0012269800000000, 0.0006316700000000, -0.0024835000000000 ] - [ 0.0002144600000000, 0.0005738800000000, -0.0023373000000000 ] - [ 0.0009627700000000, 0.0004928700000000, -0.0035775800000000 ] - [ -0.0015571800000000, -0.0007141400000000, -0.0031948100000000 ] - [ -0.0023055900000000, 0.0035033500000000, 0.0092665700000000 ] - [ 0.0024425400000000, -0.0021664800000000, 0.0032994400000000 ] - [ -0.0072278700000000, -0.0067175400000000, 0.0120131600000000 ] - [ 0.0015102400000000, 0.0013131100000000, 0.0035376200000000 ] - [ -0.0017119400000000, -0.0024693700000000, 0.0024371900000000 ] - [ 0.0009041100000000, -0.0001211700000000, 0.0017529100000000 ] - [ -0.0041818300000000, 0.0021995500000000, 0.0214607400000000 ] - [ 0.0008967700000000, 0.0004083100000000, 0.0001783900000000 ] - [ 0.0038549200000000, 0.0024486300000000, -0.0112558300000000 ] - [ -0.0030180000000000, 0.0012222900000000, -0.0037953600000000 ] - [ 0.0009499300000000, -0.0004824000000000, -0.0030870300000000 ] - [ -0.0003023400000000, -0.0006349200000000, -0.0011162000000000 ] - [ 0.0016408300000000, 0.0030355900000000, -0.0011293000000000 ] - [ -0.0002620100000000, 0.0004087000000000, 0.0019318500000000 ] - [ 0.0051246600000000, 0.0069243600000000, 0.0022499800000000 ] - [ -0.0008517700000000, 0.0043338300000000, 0.0048819700000000 ] - [ -0.0014929800000000, 0.0055747000000000, -0.0103357700000000 ] - [ 0.0002447000000000, 0.0010401200000000, -0.0021443000000000 ] - [ -0.0005192900000000, -0.0001666400000000, -0.0019395900000000 ] - [ 0.0004327200000000, -0.0004250900000000, -0.0009451100000000 ] - [ -0.0015369200000000, -0.0011562300000000, 0.0010891900000000 ] - [ 0.0024080400000000, -0.0009314100000000, -0.0007736000000000 ] - [ -0.0110586300000000, -0.0011122900000000, -0.0004439000000000 ] - [ 0.0103916800000000, -0.0009597100000000, -0.0012110800000000 ] - [ 0.0024602400000000, 0.0005386700000000, -0.0031683100000000 ] - [ -0.0070040200000000, -0.0031749300000000, -0.0076694100000000 ] - [ 0.0020443300000000, -0.0006771600000000, -0.0015815000000000 ] - [ -0.0020761400000000, -0.0014405500000000, -0.0002345300000000 ] - [ -0.0004570000000000, -0.0025165000000000, 0.0000586100000000 ] - [ -0.0003010400000000, -0.0005036800000000, 0.0005071200000000 ] - [ -0.0046268700000000, 0.0004020500000000, 0.0114505000000000 ] - [ -0.0034815000000000, -0.0005387900000000, 0.0025863100000000 ] - [ 0.0039842500000000, -0.0034770600000000, -0.0111513600000000 ] - [ 0.0001456300000000, 0.0000537300000000, -0.0013891500000000 ] - [ 0.0005037300000000, -0.0023979400000000, -0.0024413700000000 ] - [ 0.0005580100000000, -0.0002339400000000, 0.0000045400000000 ] - [ 0.0000657300000000, -0.0022522500000000, 0.0045356800000000 ] - [ -0.0004875600000000, -0.0014831400000000, 0.0030709800000000 ] - [ 0.0005893200000000, -0.0027947800000000, 0.0084433000000000 ] - [ -0.0002049600000000, 0.0000127200000000, 0.0037420000000000 ] - [ -0.0051566800000000, -0.0044252500000000, -0.0087119000000000 ] - [ -0.0043522600000000, 0.0028768300000000, -0.0092919300000000 ] - [ -0.0135663800000000, -0.0112744700000000, -0.0008448400000000 ] - [ 0.0010127300000000, -0.0043660300000000, -0.0083282800000000 ] - [ 0.0007426600000000, 0.0011883700000000, 0.0005892300000000 ] - [ -0.0027601800000000, 0.0009965900000000, -0.0008391000000000 ] - [ 0.0063730000000000, 0.0017378500000000, 0.0336271600000000 ] - [ -0.0011013900000000, -0.0010201300000000, 0.0016466600000000 ] - [ -0.0230884100000000, -0.0110037800000000, 0.0165215600000000 ] - [ 0.0133771700000000, -0.0075449500000000, 0.0014334800000000 ] - [ -0.0022679100000000, -0.0026944000000000, 0.0030161400000000 ] - [ 0.0005573800000000, 0.0001342000000000, 0.0000325400000000 ] - [ -0.0192363900000000, 0.0133928600000000, 0.0055654700000000 ] - [ 0.0083101800000000, 0.0045020700000000, -0.0039864100000000 ] - [ -0.0092808600000000, 0.0142972800000000, -0.0024729300000000 ] - [ 0.0036663800000000, 0.0050941500000000, -0.0090776800000000 ] - [ 0.0017343400000000, 0.0045123400000000, 0.0049309300000000 ] - [ -0.0008036000000000, 0.0010739500000000, 0.0034331100000000 ] - [ 0.0039110800000000, 0.0033511400000000, 0.0205611100000000 ] - [ -0.0026790500000000, 0.0009800000000000, 0.0049998600000000 ] - [ 0.0529424400000000, -0.0155243000000000, -0.1049475600000000 ] - [ -0.0068205200000000, 0.0000871100000000, -0.0080058900000000 ] - [ 0.0082943600000000, 0.0016401600000000, -0.0084201100000000 ] - [ -0.0046374400000000, -0.0001041100000000, -0.0037277300000000 ] - [ -0.0024576600000000, 0.0010217000000000, 0.0052991300000000 ] - [ 0.0021958500000000, 0.0005368000000000, 0.0030645000000000 ] - [ -0.0035268100000000, -0.0020445000000000, 0.0103931700000000 ] - [ 0.0033243900000000, -0.0007709400000000, 0.0065623500000000 ]- atom: 81 displacement: [ 0.0038283560719029, 0.0000000000000000, -0.0092381648495101 ] forces: - [ 0.0000767800000000, -0.0007557500000000, 0.0024404500000000 ] - [ 0.0020790300000000, -0.0024367200000000, 0.0039325800000000 ] - [ -0.0003688400000000, 0.0014656700000000, 0.0015157000000000 ] - [ 0.0008000700000000, 0.0003620500000000, 0.0023446400000000 ] - [ -0.0012147800000000, 0.0025277100000000, -0.0034449700000000 ] - [ -0.0026147300000000, 0.0007615800000000, -0.0037753000000000 ] - [ 0.0024899900000000, -0.0026835800000000, -0.0107282600000000 ] - [ -0.0105604100000000, -0.0020631600000000, -0.0015991500000000 ] - [ -0.0007506800000000, 0.0002163300000000, 0.0021775500000000 ] - [ 0.0005981400000000, -0.0005685400000000, 0.0019365500000000 ] - [ -0.0006627600000000, 0.0004045700000000, 0.0035958100000000 ] - [ 0.0013350300000000, 0.0004539100000000, 0.0035296300000000 ] - [ 0.0068025400000000, -0.0060158300000000, -0.0107921600000000 ] - [ -0.0021793400000000, 0.0008629600000000, -0.0037189700000000 ] - [ 0.0016921900000000, 0.0028720400000000, -0.0102996600000000 ] - [ -0.0038602400000000, -0.0029686400000000, -0.0030362200000000 ] - [ -0.0003208300000000, -0.0000455600000000, 0.0022937600000000 ] - [ 0.0006857700000000, 0.0000135200000000, 0.0021369000000000 ] - [ -0.0018642200000000, 0.0001067100000000, 0.0037644300000000 ] - [ 0.0006628500000000, 0.0013138200000000, 0.0034057000000000 ] - [ 0.0014679500000000, -0.0040455100000000, -0.0091003500000000 ] - [ -0.0033899100000000, 0.0015725600000000, -0.0030825500000000 ] - [ 0.0079229700000000, 0.0058833200000000, -0.0122489400000000 ] - [ -0.0005697200000000, -0.0019166700000000, -0.0037741300000000 ] - [ 0.0020153500000000, 0.0030278400000000, -0.0021685500000000 ] - [ -0.0006334700000000, 0.0006581100000000, -0.0014567500000000 ] - [ 0.0035801800000000, -0.0011182700000000, -0.0199246700000000 ] - [ -0.0011570200000000, 0.0001319100000000, -0.0004761800000000 ] - [ -0.0041658700000000, -0.0029850200000000, 0.0109987600000000 ] - [ 0.0027238800000000, -0.0017577600000000, 0.0034521500000000 ] - [ -0.0006646200000000, -0.0000520400000000, 0.0034192700000000 ] - [ 0.0005886200000000, 0.0000958800000000, 0.0014519100000000 ] - [ -0.0016176200000000, -0.0027972000000000, 0.0013980500000000 ] - [ 0.0003015300000000, -0.0002147700000000, -0.0016631400000000 ] - [ -0.0052135000000000, -0.0067904800000000, -0.0025252500000000 ] - [ 0.0008114400000000, -0.0041248400000000, -0.0051517200000000 ] - [ 0.0014527200000000, -0.0057718800000000, 0.0100331000000000 ] - [ -0.0002678700000000, -0.0012767800000000, 0.0019291500000000 ] - [ 0.0005529600000000, -0.0000762000000000, 0.0021628100000000 ] - [ -0.0004107100000000, 0.0001865000000000, 0.0011624900000000 ] - [ 0.0016511000000000, 0.0008257200000000, -0.0008229800000000 ] - [ -0.0022811900000000, 0.0006005500000000, 0.0010217700000000 ] - [ 0.0109078700000000, 0.0007569100000000, -0.0000426200000000 ] - [ -0.0106008000000000, 0.0006533800000000, 0.0009864500000000 ] - [ -0.0025693400000000, -0.0002151100000000, 0.0029413200000000 ] - [ 0.0068341700000000, 0.0034701500000000, 0.0074052500000000 ] - [ -0.0019333400000000, 0.0010082500000000, 0.0018115600000000 ] - [ 0.0022175600000000, 0.0017716800000000, 0.0004508900000000 ] - [ 0.0003488000000000, 0.0022299400000000, 0.0001513700000000 ] - [ 0.0002103700000000, 0.0002293000000000, -0.0003228200000000 ] - [ 0.0055775000000000, -0.0009705700000000, -0.0129096800000000 ] - [ 0.0035718400000000, 0.0002683100000000, -0.0027744500000000 ] - [ -0.0038848000000000, 0.0037289900000000, 0.0109694900000000 ] - [ -0.0000484800000000, 0.0002202400000000, 0.0012371300000000 ] - [ -0.0005940800000000, 0.0026950400000000, 0.0026088500000000 ] - [ -0.0006627100000000, 0.0005138800000000, 0.0001461300000000 ] - [ -0.0000906200000000, 0.0011868900000000, -0.0043717400000000 ] - [ 0.0004848500000000, 0.0004065100000000, -0.0028906900000000 ] - [ -0.0005677200000000, 0.0016884300000000, -0.0085791900000000 ] - [ 0.0002133900000000, -0.0011071600000000, -0.0039382000000000 ] - [ 0.0051208200000000, 0.0055517900000000, 0.0086935600000000 ] - [ 0.0044848000000000, -0.0018294900000000, 0.0091898100000000 ] - [ 0.0135883400000000, 0.0122425400000000, 0.0008736700000000 ] - [ -0.0011578900000000, 0.0055685500000000, 0.0084648700000000 ] - [ -0.0024559100000000, -0.0006582300000000, -0.0010610300000000 ] - [ 0.0010896800000000, -0.0004607600000000, 0.0003570900000000 ] - [ -0.0046331500000000, -0.0011376600000000, -0.0327604900000000 ] - [ 0.0027789400000000, 0.0015466900000000, -0.0011693300000000 ] - [ 0.0250764900000000, 0.0105747200000000, -0.0162302100000000 ] - [ -0.0116863400000000, 0.0070397900000000, -0.0008992100000000 ] - [ 0.0005734400000000, 0.0021623100000000, -0.0035427000000000 ] - [ -0.0022543900000000, -0.0006445600000000, -0.0005694300000000 ] - [ 0.0182263300000000, -0.0134712500000000, -0.0054147200000000 ] - [ -0.0091731100000000, -0.0047803100000000, 0.0040588900000000 ] - [ 0.0101961900000000, -0.0146602900000000, 0.0023673400000000 ] - [ -0.0027568700000000, -0.0053132700000000, 0.0089961200000000 ] - [ -0.0008609800000000, -0.0042684200000000, -0.0051289600000000 ] - [ 0.0016562200000000, -0.0008498700000000, -0.0036422900000000 ] - [ -0.0048591800000000, -0.0031807000000000, -0.0205315200000000 ] - [ 0.0018528600000000, -0.0007713000000000, -0.0048192300000000 ] - [ -0.0530741500000000, 0.0153609300000000, 0.1052136700000000 ] - [ 0.0071200800000000, -0.0000235900000000, 0.0084823200000000 ] - [ -0.0086122800000000, -0.0015655800000000, 0.0079451600000000 ] - [ 0.0043484900000000, 0.0001781300000000, 0.0032765000000000 ] - [ 0.0021561200000000, -0.0010965800000000, -0.0057546500000000 ] - [ -0.0024951300000000, -0.0006160500000000, -0.0035063100000000 ] - [ 0.0038293100000000, 0.0019830600000000, -0.0099674700000000 ] - [ -0.0030159200000000, 0.0007062900000000, -0.0061137500000000 ]