# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/fddb3a61-c916-4ba5-9bc7-0baa4e8e20e3/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 TbBa2BiO6 / C2/m (12) / materials id 552191](https://mdr.nims.go.jp/datasets/113e2dd7-e1b2-4094-a638-e239d08415fe) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 5.259496270000000, -3.036887840000000, -0.007241355000000 ] # a - [ 5.259496270000000, 3.036887840000000, -0.007241355000000 ] # b - [ -3.536635880000000, 0.000000000000000, 4.994090000000000 ] # c points: - symbol: O # 1 coordinates: [ 0.776955160000000, 0.287160980000000, 0.789321480000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.712839020000000, 0.223044840000000, 0.210678520000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.287160980000000, 0.776955160000000, 0.789321480000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.256694540000000, 0.256694540000000, 0.697199160000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.743305460000000, 0.743305460000000, 0.302800840000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.223044840000000, 0.712839020000000, 0.210678520000000 ] mass: 15.999400 - symbol: Ba # 7 coordinates: [ 0.249233750000000, 0.249233750000000, 0.244875070000000 ] mass: 137.327000 - symbol: Ba # 8 coordinates: [ 0.750766250000000, 0.750766250000000, 0.755124930000000 ] mass: 137.327000 - symbol: Tb # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 158.925350 - symbol: Bi # 10 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 208.980400 reciprocal_lattice: # without 2pi - [ 0.095158919365973, -0.164642234531783, 0.067388142490770 ] # a* - [ 0.095158919365973, 0.164642234531783, 0.067388142490770 ] # b* - [ 0.000275957988961, 0.000000000000000, 0.200432103331164 ] # c*unit_cell: lattice: - [ 10.518992539999999, 0.000000000000000, -0.014482710000000 ] # a - [ 0.000000000000000, 6.073775680000000, 0.000000000000000 ] # b - [ -3.536635880000000, 0.000000000000000, 4.994090000000000 ] # c points: - symbol: O # 1 coordinates: [ 0.032058070000000, 0.255102910000000, 0.789321480000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.467941930000000, 0.755102910000000, 0.210678520000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.032058070000000, 0.744897090000000, 0.789321480000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.756694540000000, 0.500000000000000, 0.697199160000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.743305460000000, 0.000000000000000, 0.302800840000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.467941930000000, 0.244897090000000, 0.210678520000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.532058070000000, 0.755102910000000, 0.789321480000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 8 coordinates: [ 0.967941930000000, 0.255102910000000, 0.210678520000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 9 coordinates: [ 0.532058070000000, 0.244897090000000, 0.789321480000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 10 coordinates: [ 0.256694540000000, 0.000000000000000, 0.697199160000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 11 coordinates: [ 0.243305460000000, 0.500000000000000, 0.302800840000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 12 coordinates: [ 0.967941930000000, 0.744897090000000, 0.210678520000000 ] mass: 15.999400 reduced_to: 6 - symbol: Ba # 13 coordinates: [ 0.249233750000000, 0.000000000000000, 0.244875070000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 14 coordinates: [ 0.250766250000000, 0.500000000000000, 0.755124930000000 ] mass: 137.327000 reduced_to: 14 - symbol: Ba # 15 coordinates: [ 0.749233750000000, 0.500000000000000, 0.244875070000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 16 coordinates: [ 0.750766250000000, 0.000000000000000, 0.755124930000000 ] mass: 137.327000 reduced_to: 14 - symbol: Tb # 17 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 17 - symbol: Tb # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 17 - symbol: Bi # 19 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 20 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 208.980400 reduced_to: 19supercell: lattice: - [ 10.518992539999999, 0.000000000000000, -0.014482710000000 ] # a - [ 0.000000000000000, 12.147551360000000, 0.000000000000000 ] # b - [ -7.073271760000000, 0.000000000000000, 9.988180000000000 ] # c points: - symbol: O # 1 coordinates: [ 0.032058070000000, 0.127551455000000, 0.394660740000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.032058070000000, 0.627551455000000, 0.394660740000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.032058070000000, 0.127551455000000, 0.894660740000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.032058070000000, 0.627551455000000, 0.894660740000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.467941930000000, 0.377551455000000, 0.105339260000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.467941930000000, 0.877551455000000, 0.105339260000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.467941930000000, 0.377551455000000, 0.605339260000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 8 coordinates: [ 0.467941930000000, 0.877551455000000, 0.605339260000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 9 coordinates: [ 0.032058070000000, 0.372448545000000, 0.394660740000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.032058070000000, 0.872448545000000, 0.394660740000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.032058070000000, 0.372448545000000, 0.894660740000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 12 coordinates: [ 0.032058070000000, 0.872448545000000, 0.894660740000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 13 coordinates: [ 0.756694540000000, 0.250000000000000, 0.348599580000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.756694540000000, 0.750000000000000, 0.348599580000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.756694540000000, 0.250000000000000, 0.848599580000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.756694540000000, 0.750000000000000, 0.848599580000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.743305460000000, 0.000000000000000, 0.151400420000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.743305460000000, 0.500000000000000, 0.151400420000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.743305460000000, 0.000000000000000, 0.651400420000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.743305460000000, 0.500000000000000, 0.651400420000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.467941930000000, 0.122448545000000, 0.105339260000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.467941930000000, 0.622448545000000, 0.105339260000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.467941930000000, 0.122448545000000, 0.605339260000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.467941930000000, 0.622448545000000, 0.605339260000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.532058070000000, 0.377551455000000, 0.394660740000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 26 coordinates: [ 0.532058070000000, 0.877551455000000, 0.394660740000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 27 coordinates: [ 0.532058070000000, 0.377551455000000, 0.894660740000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 28 coordinates: [ 0.532058070000000, 0.877551455000000, 0.894660740000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 29 coordinates: [ 0.967941930000000, 0.127551455000000, 0.105339260000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 30 coordinates: [ 0.967941930000000, 0.627551455000000, 0.105339260000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 31 coordinates: [ 0.967941930000000, 0.127551455000000, 0.605339260000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 32 coordinates: [ 0.967941930000000, 0.627551455000000, 0.605339260000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 33 coordinates: [ 0.532058070000000, 0.122448545000000, 0.394660740000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 34 coordinates: [ 0.532058070000000, 0.622448545000000, 0.394660740000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 35 coordinates: [ 0.532058070000000, 0.122448545000000, 0.894660740000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 36 coordinates: [ 0.532058070000000, 0.622448545000000, 0.894660740000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 37 coordinates: [ 0.256694540000000, 0.000000000000000, 0.348599580000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 38 coordinates: [ 0.256694540000000, 0.500000000000000, 0.348599580000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 39 coordinates: [ 0.256694540000000, 0.000000000000000, 0.848599580000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 40 coordinates: [ 0.256694540000000, 0.500000000000000, 0.848599580000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 41 coordinates: [ 0.243305460000000, 0.250000000000000, 0.151400420000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 42 coordinates: [ 0.243305460000000, 0.750000000000000, 0.151400420000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 43 coordinates: [ 0.243305460000000, 0.250000000000000, 0.651400420000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 44 coordinates: [ 0.243305460000000, 0.750000000000000, 0.651400420000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 45 coordinates: [ 0.967941930000000, 0.372448545000000, 0.105339260000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 46 coordinates: [ 0.967941930000000, 0.872448545000000, 0.105339260000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 47 coordinates: [ 0.967941930000000, 0.372448545000000, 0.605339260000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 48 coordinates: [ 0.967941930000000, 0.872448545000000, 0.605339260000000 ] mass: 15.999400 reduced_to: 21 - symbol: Ba # 49 coordinates: [ 0.249233750000000, 0.000000000000000, 0.122437535000000 ] mass: 137.327000 reduced_to: 49 - symbol: Ba # 50 coordinates: [ 0.249233750000000, 0.500000000000000, 0.122437535000000 ] mass: 137.327000 reduced_to: 49 - symbol: Ba # 51 coordinates: [ 0.249233750000000, 0.000000000000000, 0.622437535000000 ] mass: 137.327000 reduced_to: 49 - symbol: Ba # 52 coordinates: [ 0.249233750000000, 0.500000000000000, 0.622437535000000 ] mass: 137.327000 reduced_to: 49 - symbol: Ba # 53 coordinates: [ 0.250766250000000, 0.250000000000000, 0.377562465000000 ] mass: 137.327000 reduced_to: 53 - symbol: Ba # 54 coordinates: [ 0.250766250000000, 0.750000000000000, 0.377562465000000 ] mass: 137.327000 reduced_to: 53 - symbol: Ba # 55 coordinates: [ 0.250766250000000, 0.250000000000000, 0.877562465000000 ] mass: 137.327000 reduced_to: 53 - symbol: Ba # 56 coordinates: [ 0.250766250000000, 0.750000000000000, 0.877562465000000 ] mass: 137.327000 reduced_to: 53 - symbol: Ba # 57 coordinates: [ 0.749233750000000, 0.250000000000000, 0.122437535000000 ] mass: 137.327000 reduced_to: 49 - symbol: Ba # 58 coordinates: [ 0.749233750000000, 0.750000000000000, 0.122437535000000 ] mass: 137.327000 reduced_to: 49 - symbol: Ba # 59 coordinates: [ 0.749233750000000, 0.250000000000000, 0.622437535000000 ] mass: 137.327000 reduced_to: 49 - symbol: Ba # 60 coordinates: [ 0.749233750000000, 0.750000000000000, 0.622437535000000 ] mass: 137.327000 reduced_to: 49 - symbol: Ba # 61 coordinates: [ 0.750766250000000, 0.000000000000000, 0.377562465000000 ] mass: 137.327000 reduced_to: 53 - symbol: Ba # 62 coordinates: [ 0.750766250000000, 0.500000000000000, 0.377562465000000 ] mass: 137.327000 reduced_to: 53 - symbol: Ba # 63 coordinates: [ 0.750766250000000, 0.000000000000000, 0.877562465000000 ] mass: 137.327000 reduced_to: 53 - symbol: Ba # 64 coordinates: [ 0.750766250000000, 0.500000000000000, 0.877562465000000 ] mass: 137.327000 reduced_to: 53 - symbol: Tb # 65 coordinates: [ 0.500000000000000, 0.250000000000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 65 - symbol: Tb # 66 coordinates: [ 0.500000000000000, 0.750000000000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 65 - symbol: Tb # 67 coordinates: [ 0.500000000000000, 0.250000000000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 65 - symbol: Tb # 68 coordinates: [ 0.500000000000000, 0.750000000000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 65 - symbol: Tb # 69 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 65 - symbol: Tb # 70 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 65 - symbol: Tb # 71 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 65 - symbol: Tb # 72 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 65 - symbol: Bi # 73 coordinates: [ 0.000000000000000, 0.250000000000000, 0.000000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 74 coordinates: [ 0.000000000000000, 0.750000000000000, 0.000000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 75 coordinates: [ 0.000000000000000, 0.250000000000000, 0.500000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 76 coordinates: [ 0.000000000000000, 0.750000000000000, 0.500000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 77 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 78 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 79 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 80 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 208.980400 reduced_to: 73born_effective_charge:- # 1 (O) - [ -2.227567810000000, 0.479324190000000, 0.396613870000000 ] - [ 0.465067440000000, -2.757655500000000, -0.647223200000000 ] - [ 0.396874010000000, -0.600600620000000, -2.460294440000000 ]- # 2 (O) - [ -2.227567810000000, -0.479324190000000, 0.396613870000000 ] - [ -0.465067440000000, -2.757655500000000, 0.647223200000000 ] - [ 0.396874010000000, 0.600600620000000, -2.460294440000000 ]- # 3 (O) - [ -2.227567810000000, -0.479324190000000, 0.396613870000000 ] - [ -0.465067440000000, -2.757655500000000, 0.647223200000000 ] - [ 0.396874010000000, 0.600600620000000, -2.460294440000000 ]- # 4 (O) - [ -2.964253910000000, 0.000000000000000, -0.672176810000000 ] - [ 0.000000000000000, -1.878128920000000, 0.000000000000000 ] - [ -0.710904660000000, 0.000000000000000, -2.588989690000000 ]- # 5 (O) - [ -2.964253910000000, 0.000000000000000, -0.672176810000000 ] - [ 0.000000000000000, -1.878128920000000, 0.000000000000000 ] - [ -0.710904660000000, 0.000000000000000, -2.588989690000000 ]- # 6 (O) - [ -2.227567810000000, 0.479324190000000, 0.396613870000000 ] - [ 0.465067440000000, -2.757655500000000, -0.647223200000000 ] - [ 0.396874010000000, -0.600600620000000, -2.460294440000000 ]- # 7 (Ba) - [ 2.658135500000000, -0.000000000000000, -0.041447570000000 ] - [ -0.000000000000000, 2.656284500000000, 0.000000000000000 ] - [ -0.134327170000000, 0.000000000000000, 2.729728990000000 ]- # 8 (Ba) - [ 2.658135500000000, -0.000000000000000, -0.041447570000000 ] - [ -0.000000000000000, 2.656284500000000, 0.000000000000000 ] - [ -0.134327170000000, 0.000000000000000, 2.729728990000000 ]- # 9 (Tb) - [ 4.504903920000000, -0.000000000000000, -0.382481310000000 ] - [ -0.000000000000000, 4.505131420000000, 0.000000000000000 ] - [ 0.333747900000000, -0.000000000000000, 4.649777540000000 ]- # 10 (Bi) - [ 5.017604120000000, -0.000000000000000, 0.223274580000000 ] - [ -0.000000000000000, 4.969179410000000, -0.000000000000000 ] - [ -0.230780300000000, 0.000000000000000, 4.909921630000000 ]dielectric_constant: - [ 4.980884510000000, 0.000000000000000, -0.042280640000000 ] - [ 0.000000000000000, 5.017706530000000, 0.000000000000000 ] - [ -0.042269150000000, 0.000000000000000, 5.004357120000000 ]displacements:- atom: 1 displacement: [ 0.0099999905219115, 0.0000000000000000, -0.0000137681400743 ] forces: - [ -0.0655586100000000, 0.0486597700000000, 0.0378662900000000 ] - [ -0.0002244200000000, -0.0016267100000000, 0.0000684100000000 ] - [ 0.0011964600000000, -0.0012975700000000, -0.0019087800000000 ] - [ 0.0002325500000000, -0.0011904400000000, -0.0001169100000000 ] - [ 0.0004287900000000, -0.0018606300000000, 0.0007524300000000 ] - [ 0.0004282200000000, -0.0006918600000000, 0.0002084700000000 ] - [ 0.0003786700000000, -0.0000347600000000, 0.0013755600000000 ] - [ 0.0003756700000000, -0.0020466900000000, 0.0007073800000000 ] - [ -0.0049353800000000, 0.0006370000000000, 0.0012394500000000 ] - [ -0.0029378500000000, -0.0004219000000000, 0.0016920400000000 ] - [ 0.0003164700000000, 0.0010790300000000, -0.0003963700000000 ] - [ 0.0014462700000000, 0.0023803100000000, -0.0016735100000000 ] - [ 0.0096795400000000, -0.0079573200000000, 0.0020562900000000 ] - [ -0.0013278000000000, 0.0003412500000000, -0.0003167800000000 ] - [ -0.0013002200000000, 0.0003824400000000, -0.0012326500000000 ] - [ -0.0011910800000000, -0.0003704100000000, -0.0010051300000000 ] - [ -0.0008286400000000, 0.0023580800000000, 0.0033317500000000 ] - [ 0.0007328800000000, -0.0004729700000000, 0.0007035100000000 ] - [ 0.0028689700000000, 0.0003942400000000, 0.0002731400000000 ] - [ 0.0015769200000000, -0.0001465800000000, 0.0004072200000000 ] - [ 0.0006990600000000, 0.0017588500000000, 0.0010559000000000 ] - [ 0.0001073100000000, 0.0008008200000000, -0.0000841100000000 ] - [ 0.0020104300000000, 0.0009936200000000, 0.0024077300000000 ] - [ -0.0000530300000000, 0.0010493000000000, 0.0000550700000000 ] - [ 0.0028355000000000, -0.0012975500000000, -0.0003185500000000 ] - [ 0.0028256400000000, -0.0009617400000000, -0.0001290100000000 ] - [ -0.0001593200000000, -0.0013065300000000, 0.0008726400000000 ] - [ -0.0001576500000000, -0.0008153700000000, 0.0011067900000000 ] - [ 0.0015399800000000, 0.0006760500000000, -0.0062237000000000 ] - [ -0.0006024800000000, -0.0023233200000000, 0.0004113800000000 ] - [ 0.0060549300000000, -0.0006905700000000, -0.0095631400000000 ] - [ -0.0001897100000000, -0.0012895000000000, -0.0001866900000000 ] - [ 0.0034540600000000, 0.0017636100000000, -0.0005102200000000 ] - [ 0.0004950300000000, 0.0010741900000000, 0.0000198200000000 ] - [ -0.0003061100000000, 0.0013242600000000, 0.0009829200000000 ] - [ -0.0001923100000000, 0.0007202200000000, 0.0003282300000000 ] - [ 0.0075097900000000, -0.0049858300000000, -0.0008085700000000 ] - [ -0.0012438600000000, 0.0010276100000000, -0.0003938000000000 ] - [ -0.0022563900000000, 0.0005594200000000, -0.0001247900000000 ] - [ -0.0011094500000000, -0.0002410800000000, -0.0004123500000000 ] - [ 0.0041606300000000, 0.0001543000000000, -0.0006967300000000 ] - [ 0.0018176300000000, -0.0003388000000000, 0.0003431300000000 ] - [ -0.0035184500000000, 0.0020049300000000, 0.0023645500000000 ] - [ 0.0005901700000000, -0.0005416800000000, 0.0004771300000000 ] - [ -0.0007032000000000, 0.0018116000000000, -0.0005902600000000 ] - [ 0.0031451100000000, -0.0043680500000000, -0.0047692400000000 ] - [ 0.0016563800000000, -0.0024696200000000, -0.0025832900000000 ] - [ -0.0008224100000000, 0.0025988700000000, -0.0003298700000000 ] - [ -0.0024051400000000, 0.0000656700000000, 0.0016127400000000 ] - [ -0.0011850800000000, -0.0000652400000000, 0.0008300000000000 ] - [ 0.0043023100000000, 0.0000280300000000, -0.0015370000000000 ] - [ 0.0000803900000000, 0.0003600100000000, 0.0005253100000000 ] - [ 0.0024128700000000, -0.0021860400000000, -0.0003211100000000 ] - [ 0.0004865500000000, 0.0011175900000000, -0.0006809600000000 ] - [ 0.0007494900000000, 0.0003754600000000, 0.0006184100000000 ] - [ 0.0006569800000000, 0.0000614900000000, -0.0004569300000000 ] - [ 0.0027459100000000, 0.0008454100000000, -0.0032792900000000 ] - [ 0.0001574300000000, 0.0001245500000000, 0.0003799700000000 ] - [ -0.0037484600000000, 0.0008352100000000, 0.0012860900000000 ] - [ -0.0011643800000000, -0.0000553000000000, 0.0006725500000000 ] - [ -0.0046550500000000, -0.0057050700000000, -0.0012614400000000 ] - [ 0.0002846600000000, 0.0019498400000000, -0.0003516300000000 ] - [ 0.0007874400000000, 0.0000961400000000, -0.0000659000000000 ] - [ 0.0007042800000000, 0.0000914000000000, -0.0004789800000000 ] - [ -0.0076316500000000, 0.0000696800000000, -0.0020901200000000 ] - [ -0.0008742100000000, -0.0001832200000000, -0.0000284400000000 ] - [ 0.0012038500000000, -0.0010959500000000, -0.0021322600000000 ] - [ 0.0004387900000000, 0.0005829900000000, -0.0006146600000000 ] - [ 0.0107345300000000, -0.0064522100000000, -0.0055539200000000 ] - [ 0.0016141300000000, 0.0006625100000000, -0.0009349900000000 ] - [ -0.0017842400000000, -0.0040358800000000, 0.0043588400000000 ] - [ -0.0005854300000000, 0.0007083600000000, 0.0007026400000000 ] - [ -0.0015731700000000, -0.0019194000000000, 0.0027744200000000 ] - [ -0.0016237800000000, 0.0015504200000000, 0.0013253600000000 ] - [ 0.0366714600000000, -0.0235784500000000, -0.0169043600000000 ] - [ 0.0018240300000000, 0.0002486600000000, -0.0005306100000000 ] - [ -0.0002384300000000, -0.0005452500000000, -0.0017028100000000 ] - [ 0.0003154900000000, 0.0009086600000000, -0.0005064400000000 ] - [ -0.0062374200000000, 0.0011121500000000, -0.0022940300000000 ] - [ -0.0014088200000000, -0.0007745300000000, -0.0000932400000000 ]- atom: 1 displacement: [ -0.0099999905219115, 0.0000000000000000, 0.0000137681400743 ] forces: - [ 0.0660001800000000, -0.0519690600000000, -0.0382907000000000 ] - [ 0.0003672200000000, -0.0005745800000000, 0.0000619200000000 ] - [ -0.0010572100000000, -0.0009067700000000, 0.0020419100000000 ] - [ -0.0000910700000000, -0.0010114600000000, 0.0002488700000000 ] - [ -0.0005652900000000, -0.0003356000000000, -0.0008958200000000 ] - [ -0.0005638200000000, -0.0015131300000000, -0.0003429700000000 ] - [ -0.0005264500000000, -0.0021634000000000, -0.0014865800000000 ] - [ -0.0005273800000000, -0.0001606500000000, -0.0008317700000000 ] - [ 0.0050929700000000, 0.0015272500000000, -0.0011261300000000 ] - [ 0.0030784400000000, 0.0026988300000000, -0.0015704300000000 ] - [ -0.0001733700000000, 0.0011282800000000, 0.0005248300000000 ] - [ -0.0013015400000000, -0.0001741300000000, 0.0018014800000000 ] - [ -0.0119257700000000, 0.0080871400000000, -0.0028902400000000 ] - [ -0.0007462300000000, -0.0003423600000000, -0.0004590400000000 ] - [ -0.0007889600000000, -0.0003828000000000, 0.0004612800000000 ] - [ -0.0009016900000000, 0.0003708000000000, 0.0002256500000000 ] - [ 0.0029581000000000, -0.0023402400000000, -0.0025202600000000 ] - [ 0.0013553200000000, 0.0004721500000000, 0.0000722700000000 ] - [ -0.0007860200000000, -0.0003974800000000, 0.0005070900000000 ] - [ 0.0005091700000000, 0.0001497200000000, 0.0003719900000000 ] - [ -0.0008334900000000, 0.0004368000000000, -0.0011986900000000 ] - [ -0.0002466900000000, 0.0014041700000000, -0.0000482300000000 ] - [ -0.0021481800000000, 0.0012024400000000, -0.0025134300000000 ] - [ -0.0000936600000000, 0.0011601800000000, -0.0001817400000000 ] - [ -0.0026825500000000, -0.0008900000000000, 0.0004539400000000 ] - [ -0.0026935200000000, -0.0012553200000000, 0.0002591000000000 ] - [ 0.0002998900000000, -0.0009032400000000, -0.0007425200000000 ] - [ 0.0003005500000000, -0.0013832300000000, -0.0009752900000000 ] - [ -0.0017042500000000, -0.0028960500000000, 0.0060961100000000 ] - [ 0.0004522700000000, 0.0001109800000000, -0.0005339100000000 ] - [ -0.0062566800000000, -0.0015327000000000, 0.0095531400000000 ] - [ 0.0000516600000000, -0.0009135300000000, 0.0000561500000000 ] - [ -0.0033123500000000, 0.0004342700000000, 0.0006431400000000 ] - [ -0.0003522800000000, 0.0011346300000000, 0.0001095500000000 ] - [ 0.0004467100000000, 0.0008787600000000, -0.0008507700000000 ] - [ 0.0003334500000000, 0.0014844200000000, -0.0001975300000000 ] - [ -0.0095599500000000, 0.0049296000000000, 0.0000049700000000 ] - [ -0.0008519600000000, -0.0010114300000000, -0.0003851200000000 ] - [ 0.0001798800000000, -0.0005600300000000, -0.0006546100000000 ] - [ -0.0009705100000000, 0.0002413100000000, -0.0003649000000000 ] - [ -0.0020786000000000, -0.0001569600000000, 0.0014453100000000 ] - [ 0.0002710000000000, 0.0003383000000000, 0.0004373900000000 ] - [ 0.0056038100000000, -0.0020306700000000, -0.0016081500000000 ] - [ 0.0014941400000000, 0.0005458300000000, 0.0002925900000000 ] - [ 0.0005499700000000, 0.0003968800000000, 0.0004600200000000 ] - [ -0.0032813200000000, 0.0065900600000000, 0.0046627400000000 ] - [ -0.0017728000000000, 0.0046447400000000, 0.0024323800000000 ] - [ 0.0006922800000000, -0.0004011500000000, 0.0001976900000000 ] - [ 0.0011583400000000, -0.0000664100000000, -0.0006903300000000 ] - [ -0.0000636500000000, 0.0000610600000000, 0.0000934500000000 ] - [ -0.0055316700000000, -0.0000464500000000, 0.0024826100000000 ] - [ -0.0013246800000000, -0.0003537000000000, 0.0003957000000000 ] - [ -0.0008398900000000, 0.0023727700000000, -0.0006170200000000 ] - [ 0.0007728000000000, -0.0011203700000000, -0.0002375400000000 ] - [ 0.0004833300000000, -0.0003753000000000, -0.0015317900000000 ] - [ 0.0005875000000000, -0.0000598200000000, -0.0004559100000000 ] - [ -0.0040245200000000, -0.0008199000000000, 0.0041698100000000 ] - [ -0.0014059600000000, -0.0001291800000000, 0.0005370600000000 ] - [ 0.0025081200000000, -0.0008387400000000, -0.0003827400000000 ] - [ -0.0000843400000000, 0.0000568800000000, 0.0002440900000000 ] - [ 0.0058180100000000, 0.0057035600000000, 0.0003553600000000 ] - [ 0.0009527900000000, -0.0019609200000000, -0.0005638700000000 ] - [ 0.0004678500000000, -0.0000935500000000, -0.0008573500000000 ] - [ 0.0005476600000000, -0.0000917600000000, -0.0004420800000000 ] - [ 0.0076447300000000, -0.0000679800000000, 0.0021188900000000 ] - [ 0.0008696600000000, 0.0001878400000000, 0.0000330400000000 ] - [ -0.0011702000000000, 0.0010945400000000, 0.0021195000000000 ] - [ -0.0004264500000000, -0.0005880700000000, 0.0006109200000000 ] - [ -0.0107638500000000, 0.0062320700000000, 0.0053332900000000 ] - [ -0.0015923400000000, -0.0006559900000000, 0.0009162800000000 ] - [ 0.0017833300000000, 0.0040461300000000, -0.0043680500000000 ] - [ 0.0005816300000000, -0.0007131500000000, -0.0007055600000000 ] - [ 0.0015895600000000, 0.0019249500000000, -0.0027686900000000 ] - [ 0.0016349800000000, -0.0015531900000000, -0.0013306700000000 ] - [ -0.0371004700000000, 0.0246597400000000, 0.0176650600000000 ] - [ -0.0018536700000000, -0.0002646200000000, 0.0005478900000000 ] - [ 0.0002070400000000, 0.0005519800000000, 0.0016963000000000 ] - [ -0.0003249400000000, -0.0009096500000000, 0.0005133000000000 ] - [ 0.0062455600000000, -0.0010961000000000, 0.0022839800000000 ] - [ 0.0014103400000000, 0.0007517900000000, 0.0000823600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0507822900000000, -0.1180075400000000, -0.0621639400000000 ] - [ -0.0004536200000000, 0.0041424000000000, 0.0007731000000000 ] - [ -0.0001267300000000, -0.0024354900000000, 0.0001844800000000 ] - [ -0.0000176900000000, -0.0001948200000000, 0.0002335100000000 ] - [ -0.0004818800000000, -0.0005223800000000, -0.0005609400000000 ] - [ 0.0006922200000000, -0.0005180800000000, -0.0001019800000000 ] - [ 0.0008737300000000, -0.0003343200000000, 0.0006276900000000 ] - [ -0.0011355400000000, -0.0003248400000000, -0.0007639700000000 ] - [ 0.0005317500000000, 0.0181842500000000, -0.0003498200000000 ] - [ 0.0016205700000000, 0.0151659300000000, -0.0030447800000000 ] - [ 0.0000953200000000, 0.0014741200000000, -0.0001528300000000 ] - [ -0.0011975000000000, 0.0001210400000000, 0.0014999500000000 ] - [ -0.0096573300000000, 0.0004769300000000, -0.0026736700000000 ] - [ 0.0000244500000000, 0.0015280800000000, -0.0002509000000000 ] - [ 0.0000691600000000, -0.0007692900000000, 0.0007214400000000 ] - [ -0.0008665000000000, 0.0010973000000000, 0.0005189500000000 ] - [ 0.0076417500000000, -0.0000118900000000, 0.0065965100000000 ] - [ 0.0002633100000000, 0.0013869700000000, -0.0007866000000000 ] - [ 0.0006922600000000, -0.0008617000000000, 0.0004363500000000 ] - [ 0.0009456200000000, 0.0007416700000000, 0.0005180900000000 ] - [ 0.0005893400000000, -0.0014306600000000, -0.0007962300000000 ] - [ -0.0003728900000000, 0.0025360400000000, 0.0002670000000000 ] - [ -0.0001839000000000, -0.0021175800000000, -0.0006681700000000 ] - [ -0.0001250200000000, 0.0028527700000000, 0.0003009800000000 ] - [ 0.0002170700000000, -0.0002141100000000, 0.0003149300000000 ] - [ -0.0001305200000000, -0.0002071400000000, -0.0000391600000000 ] - [ 0.0003561400000000, -0.0002161000000000, 0.0001753900000000 ] - [ -0.0001309200000000, -0.0002095100000000, 0.0001315300000000 ] - [ -0.0018676400000000, -0.0074119000000000, 0.0032471800000000 ] - [ 0.0011433000000000, 0.0028879600000000, -0.0017637500000000 ] - [ -0.0004817000000000, -0.0071707500000000, 0.0004447900000000 ] - [ 0.0001150500000000, 0.0004838800000000, -0.0002429700000000 ] - [ -0.0005918800000000, -0.0018214500000000, 0.0005949700000000 ] - [ 0.0001008700000000, 0.0027220200000000, -0.0002632300000000 ] - [ -0.0001498300000000, -0.0018489100000000, 0.0008188400000000 ] - [ 0.0004523300000000, 0.0027947400000000, -0.0002005200000000 ] - [ -0.0105220600000000, 0.0008764900000000, -0.0018085300000000 ] - [ 0.0001753500000000, 0.0016752700000000, -0.0003347000000000 ] - [ 0.0000571800000000, -0.0010208800000000, -0.0015745700000000 ] - [ -0.0011892200000000, 0.0007988000000000, 0.0001242200000000 ] - [ -0.0001085700000000, -0.0008947100000000, -0.0019189400000000 ] - [ 0.0003100600000000, 0.0010151800000000, 0.0005104600000000 ] - [ 0.0037315200000000, 0.0002653900000000, 0.0089573700000000 ] - [ 0.0008677400000000, 0.0019162200000000, -0.0005205400000000 ] - [ 0.0006359300000000, 0.0009615500000000, -0.0016042300000000 ] - [ -0.0055236900000000, 0.0113569300000000, 0.0087670700000000 ] - [ -0.0036115900000000, 0.0051309000000000, 0.0035282500000000 ] - [ 0.0014229500000000, 0.0011500700000000, -0.0015662700000000 ] - [ 0.0003318100000000, 0.0012078900000000, -0.0004458800000000 ] - [ -0.0006048700000000, -0.0010897400000000, 0.0007236800000000 ] - [ -0.0004780800000000, 0.0049388400000000, 0.0036545200000000 ] - [ -0.0012732900000000, -0.0036163900000000, -0.0015644100000000 ] - [ -0.0006092200000000, 0.0067646800000000, 0.0004215400000000 ] - [ 0.0019028700000000, -0.0027591500000000, -0.0001780900000000 ] - [ 0.0015420500000000, 0.0009879100000000, -0.0021691900000000 ] - [ 0.0004539200000000, -0.0011099200000000, -0.0002333700000000 ] - [ -0.0003581300000000, 0.0025844000000000, 0.0053446700000000 ] - [ -0.0013830000000000, -0.0023288500000000, -0.0003357400000000 ] - [ 0.0004976000000000, 0.0007438400000000, -0.0003564500000000 ] - [ -0.0006309400000000, -0.0009885100000000, 0.0005120700000000 ] - [ -0.0052165600000000, 0.0016998900000000, 0.0005987300000000 ] - [ 0.0020825100000000, -0.0030089600000000, -0.0004661500000000 ] - [ 0.0010404800000000, 0.0011460900000000, -0.0014935200000000 ] - [ 0.0003754900000000, -0.0010558900000000, -0.0004804900000000 ] - [ 0.0034646100000000, 0.0021882800000000, 0.0021112600000000 ] - [ -0.0000914800000000, -0.0020960800000000, -0.0001817000000000 ] - [ -0.0044889800000000, 0.0024918600000000, -0.0020706500000000 ] - [ 0.0003645800000000, -0.0025713700000000, 0.0001530600000000 ] - [ -0.0060873600000000, 0.0220665500000000, 0.0112517400000000 ] - [ -0.0024046700000000, -0.0077582400000000, 0.0052557500000000 ] - [ -0.0002523200000000, 0.0032299000000000, -0.0006903800000000 ] - [ 0.0005086400000000, -0.0020703400000000, -0.0006446800000000 ] - [ 0.0009862100000000, 0.0030495300000000, 0.0001211400000000 ] - [ 0.0021293000000000, -0.0041956100000000, -0.0018087000000000 ] - [ -0.0246199600000000, 0.0532531100000000, 0.0232459700000000 ] - [ -0.0033076400000000, -0.0069952300000000, 0.0029607100000000 ] - [ -0.0027184100000000, 0.0026157500000000, -0.0018086700000000 ] - [ 0.0004499500000000, -0.0023735100000000, 0.0001880300000000 ] - [ 0.0035114900000000, 0.0026204500000000, 0.0028957000000000 ] - [ -0.0005976500000000, -0.0027700200000000, -0.0006523300000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0496976700000000, 0.1149739300000000, 0.0617137200000000 ] - [ 0.0005967000000000, -0.0063544400000000, -0.0006433200000000 ] - [ 0.0002637600000000, 0.0002338400000000, -0.0000527100000000 ] - [ 0.0001612800000000, -0.0020103800000000, -0.0001042500000000 ] - [ 0.0003407500000000, -0.0016869100000000, 0.0004304100000000 ] - [ -0.0008340300000000, -0.0016831900000000, -0.0000271400000000 ] - [ -0.0010141900000000, -0.0018805600000000, -0.0007629800000000 ] - [ 0.0009943600000000, -0.0018710800000000, 0.0006349900000000 ] - [ -0.0003576800000000, -0.0156727300000000, 0.0004574900000000 ] - [ -0.0014923000000000, -0.0131114800000000, 0.0032061700000000 ] - [ 0.0000464600000000, 0.0007259300000000, 0.0002841400000000 ] - [ 0.0013530500000000, 0.0021030800000000, -0.0013852600000000 ] - [ 0.0075161600000000, -0.0005202900000000, 0.0018473600000000 ] - [ -0.0021221900000000, -0.0015267500000000, -0.0005287400000000 ] - [ -0.0021495300000000, 0.0007642300000000, -0.0014922500000000 ] - [ -0.0012302200000000, -0.0010978300000000, -0.0013130100000000 ] - [ -0.0055838500000000, 0.0000456700000000, -0.0058166900000000 ] - [ 0.0018096900000000, -0.0013908700000000, 0.0015521600000000 ] - [ 0.0013944600000000, 0.0008682700000000, 0.0003390800000000 ] - [ 0.0011380100000000, -0.0007448800000000, 0.0002568600000000 ] - [ -0.0007313800000000, 0.0036383900000000, 0.0006680400000000 ] - [ 0.0002293700000000, -0.0003328500000000, -0.0003976200000000 ] - [ 0.0000259200000000, 0.0043292200000000, 0.0005302400000000 ] - [ -0.0000152200000000, -0.0006494300000000, -0.0004296100000000 ] - [ -0.0000775700000000, -0.0019982700000000, -0.0001853200000000 ] - [ 0.0002781300000000, -0.0019917600000000, 0.0001696800000000 ] - [ -0.0002122500000000, -0.0019965600000000, -0.0000416400000000 ] - [ 0.0002731400000000, -0.0019908600000000, -0.0000007300000000 ] - [ 0.0016948300000000, 0.0052376000000000, -0.0033145200000000 ] - [ -0.0012867500000000, -0.0051017500000000, 0.0016327100000000 ] - [ 0.0003580800000000, 0.0049189700000000, -0.0006001400000000 ] - [ -0.0002610200000000, -0.0026898500000000, 0.0001171800000000 ] - [ 0.0007361200000000, 0.0040305500000000, -0.0004634100000000 ] - [ 0.0000410100000000, -0.0005181200000000, 0.0003939900000000 ] - [ 0.0002940500000000, 0.0040569500000000, -0.0006876000000000 ] - [ -0.0003112100000000, -0.0005917200000000, 0.0003312800000000 ] - [ 0.0084733500000000, -0.0008551100000000, 0.0010460100000000 ] - [ -0.0022462800000000, -0.0016835200000000, -0.0004394600000000 ] - [ -0.0021464600000000, 0.0010253800000000, 0.0007927600000000 ] - [ -0.0008959900000000, -0.0008018700000000, -0.0008964100000000 ] - [ 0.0021844500000000, 0.0008906100000000, 0.0026972500000000 ] - [ 0.0017893800000000, -0.0010151200000000, 0.0002725600000000 ] - [ -0.0015988700000000, -0.0002951500000000, -0.0081126100000000 ] - [ 0.0012216000000000, -0.0019111600000000, 0.0013071900000000 ] - [ -0.0007748600000000, 0.0012253600000000, 0.0014674200000000 ] - [ 0.0054104000000000, -0.0092146500000000, -0.0089393300000000 ] - [ 0.0034927500000000, -0.0029663400000000, -0.0036831400000000 ] - [ -0.0015733700000000, 0.0010684700000000, 0.0014450400000000 ] - [ -0.0015832600000000, -0.0012232800000000, 0.0013651200000000 ] - [ -0.0006456100000000, 0.0010983700000000, 0.0001951300000000 ] - [ -0.0007233700000000, -0.0050618000000000, -0.0025946500000000 ] - [ 0.0000182900000000, 0.0036162700000000, 0.0024610100000000 ] - [ 0.0020073900000000, -0.0066444900000000, -0.0013388600000000 ] - [ -0.0006685100000000, 0.0027618500000000, -0.0007432700000000 ] - [ -0.0002925900000000, -0.0009811900000000, 0.0012498900000000 ] - [ 0.0007937200000000, 0.0011102900000000, -0.0006826700000000 ] - [ -0.0009177500000000, -0.0025260400000000, -0.0044809200000000 ] - [ 0.0001430200000000, 0.0023298500000000, 0.0012635200000000 ] - [ -0.0017449200000000, -0.0007350200000000, 0.0012707600000000 ] - [ -0.0006169600000000, 0.0009863000000000, 0.0004083900000000 ] - [ 0.0064208500000000, -0.0017574700000000, -0.0015283100000000 ] - [ -0.0008194100000000, 0.0030114000000000, -0.0004497000000000 ] - [ 0.0002066900000000, -0.0011566200000000, 0.0005822900000000 ] - [ 0.0008733200000000, 0.0010641000000000, -0.0004352900000000 ] - [ -0.0034662100000000, -0.0021864800000000, -0.0021117100000000 ] - [ 0.0000914400000000, 0.0020927000000000, 0.0001791300000000 ] - [ 0.0044846400000000, -0.0024836200000000, 0.0020747400000000 ] - [ -0.0003619000000000, 0.0025660300000000, -0.0001524600000000 ] - [ 0.0066447000000000, -0.0230602200000000, -0.0124034400000000 ] - [ 0.0023867800000000, 0.0077425900000000, -0.0052175300000000 ] - [ 0.0002507700000000, -0.0032660100000000, 0.0007041000000000 ] - [ -0.0005063900000000, 0.0020774700000000, 0.0006420800000000 ] - [ -0.0009786700000000, -0.0030160500000000, -0.0001331100000000 ] - [ -0.0021391900000000, 0.0041929200000000, 0.0018164400000000 ] - [ 0.0229502000000000, -0.0514507300000000, -0.0215913100000000 ] - [ 0.0033371600000000, 0.0070043500000000, -0.0029912300000000 ] - [ 0.0027169800000000, -0.0026213700000000, 0.0018047900000000 ] - [ -0.0004474600000000, 0.0023856900000000, -0.0001851400000000 ] - [ -0.0035119800000000, -0.0026353100000000, -0.0029045100000000 ] - [ 0.0005938900000000, 0.0027845500000000, 0.0006508400000000 ]- atom: 1 displacement: [ -0.0057792543905384, 0.0000000000000000, 0.0081608957038699 ] forces: - [ 0.0694242000000000, -0.0811776800000000, -0.0897892200000000 ] - [ 0.0002433600000000, -0.0002185300000000, -0.0003181200000000 ] - [ -0.0021839100000000, -0.0008914100000000, 0.0032735200000000 ] - [ -0.0001713200000000, -0.0009129500000000, 0.0004089700000000 ] - [ -0.0001312500000000, -0.0006296300000000, -0.0002833800000000 ] - [ 0.0003163800000000, -0.0009367200000000, 0.0000341900000000 ] - [ 0.0002921000000000, -0.0011455200000000, -0.0015107500000000 ] - [ 0.0008316400000000, -0.0011241400000000, -0.0011280800000000 ] - [ 0.0039443500000000, 0.0016723400000000, -0.0046449300000000 ] - [ 0.0031250400000000, 0.0045953200000000, -0.0053590100000000 ] - [ -0.0004450500000000, 0.0012966300000000, 0.0007822700000000 ] - [ -0.0021328000000000, -0.0008114200000000, 0.0027826600000000 ] - [ -0.0062365600000000, 0.0031831800000000, -0.0057156300000000 ] - [ -0.0007728200000000, 0.0000018900000000, -0.0008082900000000 ] - [ 0.0003078800000000, -0.0006288400000000, 0.0022935500000000 ] - [ -0.0005584400000000, 0.0006644400000000, 0.0010693900000000 ] - [ 0.0085798300000000, 0.0017047300000000, 0.0046314400000000 ] - [ 0.0013691600000000, 0.0001123600000000, 0.0000553200000000 ] - [ -0.0007785800000000, -0.0008412700000000, 0.0006440200000000 ] - [ 0.0005477900000000, 0.0003745400000000, 0.0004173400000000 ] - [ 0.0004081400000000, 0.0001239800000000, -0.0002339300000000 ] - [ -0.0001860900000000, 0.0015463100000000, 0.0001368600000000 ] - [ 0.0007221000000000, 0.0006746400000000, -0.0022757800000000 ] - [ 0.0000125500000000, 0.0014320000000000, -0.0001116800000000 ] - [ -0.0016803700000000, -0.0010694500000000, -0.0000967700000000 ] - [ -0.0018337900000000, -0.0009837400000000, -0.0002074800000000 ] - [ 0.0010556800000000, -0.0009314300000000, 0.0018333400000000 ] - [ 0.0008633200000000, -0.0011764700000000, 0.0016943700000000 ] - [ -0.0059910700000000, -0.0047948100000000, 0.0116668400000000 ] - [ 0.0006132600000000, 0.0009756400000000, -0.0008720900000000 ] - [ -0.0115163300000000, -0.0017887600000000, 0.0106827300000000 ] - [ -0.0000988200000000, -0.0008472000000000, -0.0001286800000000 ] - [ -0.0023522400000000, 0.0002884500000000, -0.0001526100000000 ] - [ -0.0002106300000000, 0.0013870500000000, -0.0001349900000000 ] - [ 0.0010378700000000, 0.0003579300000000, 0.0020827200000000 ] - [ 0.0004363300000000, 0.0015389800000000, 0.0001312000000000 ] - [ -0.0107520800000000, 0.0035962200000000, -0.0033422600000000 ] - [ -0.0008608400000000, -0.0004782100000000, -0.0006634100000000 ] - [ -0.0004902300000000, -0.0007176600000000, 0.0016764500000000 ] - [ -0.0009058500000000, 0.0005050500000000, 0.0000800700000000 ] - [ -0.0020097700000000, -0.0006222700000000, 0.0005149900000000 ] - [ -0.0000470900000000, 0.0006030300000000, 0.0003033400000000 ] - [ 0.0063157700000000, 0.0055409000000000, 0.0081622100000000 ] - [ 0.0011944200000000, -0.0004332900000000, -0.0000309400000000 ] - [ -0.0001402800000000, -0.0005529300000000, 0.0003876500000000 ] - [ -0.0057438300000000, 0.0114573000000000, 0.0091509100000000 ] - [ -0.0030908200000000, 0.0060807900000000, 0.0026715600000000 ] - [ 0.0001561500000000, -0.0009960600000000, -0.0005828900000000 ] - [ 0.0016480100000000, -0.0000263900000000, -0.0007955300000000 ] - [ -0.0000317400000000, -0.0000551000000000, 0.0001245400000000 ] - [ -0.0041570100000000, 0.0014827400000000, 0.0057683600000000 ] - [ -0.0014124800000000, -0.0019122000000000, 0.0004756600000000 ] - [ 0.0001414000000000, 0.0027934900000000, 0.0039340300000000 ] - [ 0.0009237800000000, -0.0012935400000000, 0.0005199000000000 ] - [ 0.0015018400000000, -0.0005264100000000, -0.0040640500000000 ] - [ 0.0007443700000000, 0.0000527900000000, -0.0010069500000000 ] - [ -0.0057367600000000, 0.0040668900000000, -0.0016218700000000 ] - [ -0.0016255800000000, -0.0011728600000000, 0.0003474500000000 ] - [ 0.0026520600000000, -0.0012845600000000, -0.0000792500000000 ] - [ -0.0001313900000000, 0.0000974800000000, 0.0002632700000000 ] - [ 0.0024690100000000, 0.0036511700000000, 0.0039290600000000 ] - [ 0.0010369800000000, -0.0015671300000000, -0.0000695600000000 ] - [ 0.0003210000000000, -0.0001530500000000, -0.0028449300000000 ] - [ 0.0005291200000000, -0.0001727300000000, -0.0009358400000000 ] - [ 0.0050426400000000, 0.0004340200000000, 0.0018807000000000 ] - [ 0.0007169600000000, -0.0003600800000000, 0.0003486800000000 ] - [ -0.0061509700000000, 0.0002961900000000, -0.0023248700000000 ] - [ -0.0010708800000000, 0.0000667600000000, -0.0004901800000000 ] - [ -0.0111611400000000, 0.0130676300000000, 0.0180497700000000 ] - [ -0.0014758400000000, -0.0008118800000000, 0.0021431700000000 ] - [ 0.0032995600000000, 0.0058294800000000, -0.0062523900000000 ] - [ 0.0008299300000000, -0.0012169800000000, -0.0011277100000000 ] - [ 0.0039609900000000, 0.0041970700000000, -0.0050205700000000 ] - [ 0.0028912800000000, -0.0029627900000000, -0.0025302200000000 ] - [ -0.0356093000000000, 0.0331486900000000, 0.0390863600000000 ] - [ -0.0016348100000000, -0.0006508300000000, 0.0022227800000000 ] - [ -0.0035245900000000, 0.0007356600000000, -0.0038897400000000 ] - [ -0.0006555700000000, -0.0008398200000000, -0.0003879000000000 ] - [ 0.0044066400000000, 0.0001315300000000, 0.0045183200000000 ] - [ 0.0007860000000000, -0.0000485100000000, 0.0006525600000000 ]- atom: 1 displacement: [ 0.0057792543905384, 0.0000000000000000, -0.0081608957038699 ] forces: - [ -0.0685171500000000, 0.0779883900000000, 0.0895754700000000 ] - [ -0.0001023300000000, -0.0019813600000000, 0.0004481200000000 ] - [ 0.0023330900000000, -0.0013113100000000, -0.0031426400000000 ] - [ 0.0003141900000000, -0.0012924000000000, -0.0002783300000000 ] - [ -0.0000075000000000, -0.0015719300000000, 0.0001540300000000 ] - [ -0.0004559400000000, -0.0012708800000000, -0.0001620900000000 ] - [ -0.0004383200000000, -0.0010562100000000, 0.0013781400000000 ] - [ -0.0009790700000000, -0.0010807300000000, 0.0009962600000000 ] - [ -0.0037682500000000, 0.0005006100000000, 0.0047346800000000 ] - [ -0.0029988300000000, -0.0023039000000000, 0.0055129600000000 ] - [ 0.0005884500000000, 0.0009126600000000, -0.0006510700000000 ] - [ 0.0022842100000000, 0.0030173800000000, -0.0026592000000000 ] - [ 0.0041581400000000, -0.0032026000000000, 0.0048671700000000 ] - [ -0.0013026200000000, 0.0000001100000000, 0.0000344700000000 ] - [ -0.0023972700000000, 0.0006348800000000, -0.0030729500000000 ] - [ -0.0015428100000000, -0.0006706800000000, -0.0018642700000000 ] - [ -0.0065209800000000, -0.0016873400000000, -0.0038306500000000 ] - [ 0.0007171100000000, -0.0001148200000000, 0.0007253800000000 ] - [ 0.0028493700000000, 0.0008370300000000, 0.0001238700000000 ] - [ 0.0015365200000000, -0.0003730800000000, 0.0003562900000000 ] - [ -0.0005466500000000, 0.0020821600000000, 0.0001082700000000 ] - [ 0.0000465800000000, 0.0006562000000000, -0.0002669900000000 ] - [ -0.0008853100000000, 0.0015314500000000, 0.0021379800000000 ] - [ -0.0001575500000000, 0.0007725200000000, -0.0000195300000000 ] - [ 0.0018261700000000, -0.0011347000000000, 0.0002233700000000 ] - [ 0.0019874000000000, -0.0012224600000000, 0.0003346200000000 ] - [ -0.0009131500000000, -0.0012719600000000, -0.0016965700000000 ] - [ -0.0007233500000000, -0.0010261400000000, -0.0015662700000000 ] - [ 0.0059050500000000, 0.0026194500000000, -0.0119158900000000 ] - [ -0.0007661300000000, -0.0032006100000000, 0.0007557800000000 ] - [ 0.0111701300000000, -0.0004502100000000, -0.0106364800000000 ] - [ -0.0000405300000000, -0.0013579700000000, -0.0000045800000000 ] - [ 0.0025001500000000, 0.0019194500000000, 0.0002788100000000 ] - [ 0.0003529500000000, 0.0008162300000000, 0.0002651000000000 ] - [ -0.0008982300000000, 0.0018440400000000, -0.0019512000000000 ] - [ -0.0002963600000000, 0.0006639700000000, -0.0000001500000000 ] - [ 0.0087130900000000, -0.0036130700000000, 0.0026039000000000 ] - [ -0.0012295300000000, 0.0004764800000000, -0.0001135500000000 ] - [ -0.0015735100000000, 0.0007122400000000, -0.0024566000000000 ] - [ -0.0011759100000000, -0.0005041600000000, -0.0008566000000000 ] - [ 0.0041043600000000, 0.0006290800000000, 0.0002760900000000 ] - [ 0.0021477500000000, -0.0006079100000000, 0.0004865600000000 ] - [ -0.0041439700000000, -0.0054996400000000, -0.0073144500000000 ] - [ 0.0008879700000000, 0.0004352500000000, 0.0007991900000000 ] - [ -0.0000094800000000, 0.0027695800000000, -0.0005080000000000 ] - [ 0.0056425800000000, -0.0093120700000000, -0.0093407100000000 ] - [ 0.0029762100000000, -0.0039100400000000, -0.0028307200000000 ] - [ -0.0002882000000000, 0.0031931400000000, 0.0004395200000000 ] - [ -0.0029104000000000, 0.0000221100000000, 0.0017111200000000 ] - [ -0.0012181300000000, 0.0000572900000000, 0.0007914200000000 ] - [ 0.0029518500000000, -0.0015803600000000, -0.0046679400000000 ] - [ 0.0001656000000000, 0.0019119700000000, 0.0004515800000000 ] - [ 0.0012710900000000, -0.0027158700000000, -0.0048785400000000 ] - [ 0.0003319400000000, 0.0012980100000000, -0.0014462700000000 ] - [ -0.0002610900000000, 0.0005209700000000, 0.0031300400000000 ] - [ 0.0004988900000000, -0.0000490500000000, 0.0000948900000000 ] - [ 0.0044954800000000, -0.0040550600000000, 0.0024707800000000 ] - [ 0.0003845900000000, 0.0011773200000000, 0.0005659800000000 ] - [ -0.0038826400000000, 0.0012727600000000, 0.0010019900000000 ] - [ -0.0011185100000000, -0.0000950000000000, 0.0006607500000000 ] - [ -0.0013025100000000, -0.0036768700000000, -0.0048193500000000 ] - [ 0.0002052600000000, 0.0015697700000000, -0.0008442400000000 ] - [ 0.0009382700000000, 0.0001577000000000, 0.0019401600000000 ] - [ 0.0007229400000000, 0.0001735100000000, 0.0000175900000000 ] - [ -0.0050597400000000, -0.0004352500000000, -0.0018875500000000 ] - [ -0.0007258200000000, 0.0003633400000000, -0.0003558400000000 ] - [ 0.0061510700000000, -0.0002902500000000, 0.0023268500000000 ] - [ 0.0010861500000000, -0.0000666900000000, 0.0004939200000000 ] - [ 0.0115937600000000, -0.0143402200000000, -0.0190295000000000 ] - [ 0.0014933900000000, 0.0008223200000000, -0.0021746600000000 ] - [ -0.0032953000000000, -0.0057927900000000, 0.0062338400000000 ] - [ -0.0008328300000000, 0.0012142400000000, 0.0011308900000000 ] - [ -0.0039771300000000, -0.0042367200000000, 0.0050226200000000 ] - [ -0.0028926600000000, 0.0029777500000000, 0.0025280600000000 ] - [ 0.0342340300000000, -0.0308414700000000, -0.0378500000000000 ] - [ 0.0016080800000000, 0.0006369500000000, -0.0021963700000000 ] - [ 0.0035137400000000, -0.0007333700000000, 0.0038875300000000 ] - [ 0.0006512800000000, 0.0008403600000000, 0.0003855900000000 ] - [ -0.0043998100000000, -0.0001379200000000, -0.0045249200000000 ] - [ -0.0007833100000000, 0.0000464000000000, -0.0006469700000000 ]- atom: 13 displacement: [ 0.0099999905219115, 0.0000000000000000, -0.0000137681400743 ] forces: - [ 0.0109421600000000, -0.0097642300000000, 0.0013526900000000 ] - [ -0.0002253400000000, -0.0000260700000000, 0.0001859400000000 ] - [ -0.0001767100000000, -0.0000020600000000, 0.0015279100000000 ] - [ -0.0000692700000000, -0.0009242400000000, 0.0005596200000000 ] - [ -0.0019285300000000, -0.0076842600000000, 0.0078305400000000 ] - [ -0.0003808500000000, -0.0003325100000000, 0.0001176200000000 ] - [ 0.0017519000000000, -0.0007530800000000, -0.0009874100000000 ] - [ 0.0004629400000000, -0.0010071100000000, -0.0002915700000000 ] - [ 0.0109421600000000, 0.0097642300000000, 0.0013526900000000 ] - [ -0.0002253400000000, 0.0000260700000000, 0.0001859400000000 ] - [ -0.0001767100000000, 0.0000020600000000, 0.0015279100000000 ] - [ -0.0000692700000000, 0.0009242400000000, 0.0005596200000000 ] - [ -0.1333421100000000, 0.0000000000000000, -0.0711698100000000 ] - [ -0.0018151800000000, 0.0000000000000000, -0.0005444700000000 ] - [ 0.0000835300000000, 0.0000000000000000, -0.0021553700000000 ] - [ -0.0013336800000000, 0.0000000000000000, -0.0010397100000000 ] - [ -0.0009859200000000, -0.0007716500000000, -0.0008126900000000 ] - [ -0.0009859200000000, 0.0007716500000000, -0.0008126900000000 ] - [ 0.0002143200000000, 0.0006798800000000, -0.0010391000000000 ] - [ 0.0002143200000000, -0.0006798800000000, -0.0010391000000000 ] - [ -0.0019285300000000, 0.0076842600000000, 0.0078305400000000 ] - [ -0.0003808500000000, 0.0003325100000000, 0.0001176200000000 ] - [ 0.0017519000000000, 0.0007530800000000, -0.0009874100000000 ] - [ 0.0004629400000000, 0.0010071100000000, -0.0002915700000000 ] - [ 0.0085721600000000, -0.0105446400000000, -0.0057790800000000 ] - [ -0.0001157600000000, 0.0001028100000000, 0.0001504100000000 ] - [ -0.0011465200000000, -0.0000002000000000, -0.0001361800000000 ] - [ 0.0000012100000000, -0.0012494600000000, 0.0001824800000000 ] - [ 0.0030330500000000, 0.0000368100000000, -0.0016034800000000 ] - [ 0.0007020500000000, -0.0003593600000000, -0.0008649100000000 ] - [ -0.0046686500000000, -0.0037552500000000, 0.0030740000000000 ] - [ -0.0005252900000000, -0.0009306200000000, -0.0002007600000000 ] - [ 0.0085721600000000, 0.0105446400000000, -0.0057790800000000 ] - [ -0.0001157600000000, -0.0001028100000000, 0.0001504100000000 ] - [ -0.0011465200000000, 0.0000002000000000, -0.0001361800000000 ] - [ 0.0000012100000000, 0.0012494600000000, 0.0001824800000000 ] - [ 0.0027088900000000, 0.0000504900000000, 0.0000097300000000 ] - [ 0.0027088900000000, -0.0000504900000000, 0.0000097300000000 ] - [ -0.0008799700000000, 0.0003662500000000, 0.0013699000000000 ] - [ -0.0008799700000000, -0.0003662500000000, 0.0013699000000000 ] - [ 0.0165376300000000, 0.0000000000000000, 0.0090947900000000 ] - [ 0.0019989100000000, 0.0000000000000000, 0.0010310100000000 ] - [ 0.0053373600000000, 0.0000000000000000, 0.0056189000000000 ] - [ 0.0010100300000000, 0.0000000000000000, 0.0006000100000000 ] - [ 0.0030330500000000, -0.0000368100000000, -0.0016034800000000 ] - [ 0.0007020500000000, 0.0003593600000000, -0.0008649100000000 ] - [ -0.0046686500000000, 0.0037552500000000, 0.0030740000000000 ] - [ -0.0005252900000000, 0.0009306200000000, -0.0002007600000000 ] - [ -0.0020030800000000, -0.0017842500000000, -0.0003206800000000 ] - [ -0.0020030800000000, 0.0017842500000000, -0.0003206800000000 ] - [ -0.0016520400000000, 0.0015733800000000, -0.0016918300000000 ] - [ -0.0016520400000000, -0.0015733800000000, -0.0016918300000000 ] - [ -0.0058692300000000, 0.0000000000000000, 0.0005797800000000 ] - [ -0.0000762500000000, 0.0000000000000000, -0.0005247100000000 ] - [ 0.0009875800000000, 0.0000000000000000, -0.0039004000000000 ] - [ 0.0005796800000000, 0.0000000000000000, -0.0009063400000000 ] - [ 0.0083109800000000, 0.0000000000000000, -0.0020250200000000 ] - [ -0.0000636400000000, 0.0000000000000000, 0.0005220300000000 ] - [ -0.0010448500000000, 0.0000000000000000, 0.0074466600000000 ] - [ -0.0004910900000000, 0.0000000000000000, 0.0010055900000000 ] - [ 0.0061873800000000, -0.0019653000000000, 0.0006379500000000 ] - [ 0.0061873800000000, 0.0019653000000000, 0.0006379500000000 ] - [ 0.0002676000000000, -0.0002005700000000, 0.0000453200000000 ] - [ 0.0002676000000000, 0.0002005700000000, 0.0000453200000000 ] - [ 0.0275377000000000, 0.0000000000000000, 0.0112479300000000 ] - [ -0.0000239200000000, 0.0000000000000000, -0.0003637800000000 ] - [ -0.0018210900000000, 0.0000000000000000, 0.0004461200000000 ] - [ -0.0001951100000000, 0.0000000000000000, 0.0001618700000000 ] - [ -0.0029477000000000, 0.0048140900000000, 0.0049267400000000 ] - [ -0.0029477000000000, -0.0048140900000000, 0.0049267400000000 ] - [ 0.0016086700000000, 0.0011651900000000, -0.0019179400000000 ] - [ 0.0016086700000000, -0.0011651900000000, -0.0019179400000000 ] - [ -0.0046736500000000, 0.0000000000000000, -0.0025461000000000 ] - [ -0.0007834200000000, 0.0000000000000000, 0.0001882700000000 ] - [ 0.0507937100000000, 0.0000000000000000, 0.0332247500000000 ] - [ 0.0013266100000000, 0.0000000000000000, -0.0002432200000000 ] - [ 0.0037418500000000, -0.0025374300000000, -0.0024547000000000 ] - [ 0.0037418500000000, 0.0025374300000000, -0.0024547000000000 ] - [ -0.0039737900000000, -0.0043685900000000, 0.0032550800000000 ] - [ -0.0039737900000000, 0.0043685900000000, 0.0032550800000000 ]- atom: 13 displacement: [ -0.0099999905219115, 0.0000000000000000, 0.0000137681400743 ] forces: - [ -0.0106590900000000, 0.0074040800000000, -0.0012240300000000 ] - [ 0.0003567200000000, -0.0021718900000000, -0.0000530300000000 ] - [ 0.0003284300000000, -0.0022174200000000, -0.0014196800000000 ] - [ 0.0002169900000000, -0.0012843700000000, -0.0004376400000000 ] - [ 0.0018457100000000, 0.0055252700000000, -0.0079881400000000 ] - [ 0.0002410000000000, -0.0018764500000000, -0.0002419700000000 ] - [ -0.0019010100000000, -0.0014556000000000, 0.0008716600000000 ] - [ -0.0006042500000000, -0.0012001400000000, 0.0001637700000000 ] - [ -0.0106590900000000, -0.0074040800000000, -0.0012240300000000 ] - [ 0.0003567200000000, 0.0021718900000000, -0.0000530300000000 ] - [ 0.0003284300000000, 0.0022174200000000, -0.0014196800000000 ] - [ 0.0002169900000000, 0.0012843700000000, -0.0004376400000000 ] - [ 0.1316032500000000, 0.0000000000000000, 0.0696465700000000 ] - [ -0.0002738700000000, 0.0000000000000000, -0.0002305800000000 ] - [ -0.0021666600000000, 0.0000000000000000, 0.0013865400000000 ] - [ -0.0007521800000000, 0.0000000000000000, 0.0002623000000000 ] - [ 0.0030597900000000, 0.0007845500000000, 0.0016069600000000 ] - [ 0.0030597900000000, -0.0007845500000000, 0.0016069600000000 ] - [ 0.0018851000000000, -0.0006839100000000, 0.0018237200000000 ] - [ 0.0018851000000000, 0.0006839100000000, 0.0018237200000000 ] - [ 0.0018457100000000, -0.0055252700000000, -0.0079881400000000 ] - [ 0.0002410000000000, 0.0018764500000000, -0.0002419700000000 ] - [ -0.0019010100000000, 0.0014556000000000, 0.0008716600000000 ] - [ -0.0006042500000000, 0.0012001400000000, 0.0001637700000000 ] - [ -0.0084820800000000, 0.0084477700000000, 0.0059864300000000 ] - [ 0.0002765400000000, -0.0023184200000000, -0.0000243900000000 ] - [ 0.0012921000000000, -0.0022066900000000, 0.0002708700000000 ] - [ 0.0001401100000000, -0.0009548000000000, -0.0000483100000000 ] - [ -0.0032053000000000, -0.0022503900000000, 0.0014710100000000 ] - [ -0.0008426500000000, -0.0018383900000000, 0.0007292500000000 ] - [ 0.0044500600000000, 0.0015518700000000, -0.0032596000000000 ] - [ 0.0003788500000000, -0.0012811200000000, 0.0000620500000000 ] - [ -0.0084820800000000, -0.0084477700000000, 0.0059864300000000 ] - [ 0.0002765400000000, 0.0023184200000000, -0.0000243900000000 ] - [ 0.0012921000000000, 0.0022066900000000, 0.0002708700000000 ] - [ 0.0001401100000000, 0.0009548000000000, -0.0000483100000000 ] - [ -0.0048024900000000, -0.0000621300000000, -0.0007924500000000 ] - [ -0.0048024900000000, 0.0000621300000000, -0.0007924500000000 ] - [ -0.0012126800000000, -0.0003655100000000, -0.0021551300000000 ] - [ -0.0012126800000000, 0.0003655100000000, -0.0021551300000000 ] - [ -0.0146068100000000, 0.0000000000000000, -0.0084030300000000 ] - [ 0.0000886600000000, 0.0000000000000000, -0.0002561000000000 ] - [ -0.0033058700000000, 0.0000000000000000, -0.0048858600000000 ] - [ 0.0010705800000000, 0.0000000000000000, 0.0001760500000000 ] - [ -0.0032053000000000, 0.0022503900000000, 0.0014710100000000 ] - [ -0.0008426500000000, 0.0018383900000000, 0.0007292500000000 ] - [ 0.0044500600000000, -0.0015518700000000, -0.0032596000000000 ] - [ 0.0003788500000000, 0.0012811200000000, 0.0000620500000000 ] - [ 0.0007540800000000, 0.0017966000000000, 0.0012482200000000 ] - [ 0.0007540800000000, -0.0017966000000000, 0.0012482200000000 ] - [ 0.0004135000000000, -0.0015698300000000, 0.0025972900000000 ] - [ 0.0004135000000000, 0.0015698300000000, 0.0025972900000000 ] - [ 0.0071146700000000, 0.0000000000000000, -0.0015014900000000 ] - [ 0.0013242800000000, 0.0000000000000000, -0.0003938900000000 ] - [ 0.0002561500000000, 0.0000000000000000, 0.0029994100000000 ] - [ 0.0006703600000000, 0.0000000000000000, -0.0000057300000000 ] - [ -0.0093833200000000, 0.0000000000000000, 0.0026694200000000 ] - [ -0.0011801900000000, 0.0000000000000000, 0.0003948300000000 ] - [ -0.0002696500000000, 0.0000000000000000, -0.0065085500000000 ] - [ -0.0007645800000000, 0.0000000000000000, -0.0000848900000000 ] - [ -0.0049633200000000, 0.0018865200000000, -0.0015535500000000 ] - [ -0.0049633200000000, -0.0018865200000000, -0.0015535500000000 ] - [ 0.0009843300000000, 0.0002029100000000, -0.0009644700000000 ] - [ 0.0009843300000000, -0.0002029100000000, -0.0009644700000000 ] - [ -0.0297620300000000, 0.0000000000000000, -0.0125480300000000 ] - [ 0.0000109400000000, 0.0000000000000000, 0.0003619300000000 ] - [ 0.0018257600000000, 0.0000000000000000, -0.0004628300000000 ] - [ 0.0001984200000000, 0.0000000000000000, -0.0001635200000000 ] - [ 0.0029652200000000, -0.0047914700000000, -0.0049025300000000 ] - [ 0.0029652200000000, 0.0047914700000000, -0.0049025300000000 ] - [ -0.0016260800000000, -0.0011808500000000, 0.0019468000000000 ] - [ -0.0016260800000000, 0.0011808500000000, 0.0019468000000000 ] - [ 0.0046921000000000, 0.0000000000000000, 0.0025691800000000 ] - [ 0.0007770800000000, 0.0000000000000000, -0.0001825200000000 ] - [ -0.0488850100000000, 0.0000000000000000, -0.0308466200000000 ] - [ -0.0013035300000000, 0.0000000000000000, 0.0002436700000000 ] - [ -0.0037530400000000, 0.0025432300000000, 0.0024482000000000 ] - [ -0.0037530400000000, -0.0025432300000000, 0.0024482000000000 ] - [ 0.0039741800000000, 0.0044033400000000, -0.0032794500000000 ] - [ 0.0039741800000000, -0.0044033400000000, -0.0032794500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0079259700000000, -0.0005951800000000, -0.0017003900000000 ] - [ 0.0004193800000000, 0.0004222400000000, 0.0003072800000000 ] - [ 0.0004534900000000, -0.0018678800000000, -0.0004383400000000 ] - [ -0.0002975800000000, -0.0000073700000000, 0.0006204400000000 ] - [ -0.0024283000000000, -0.0011467800000000, -0.0038020200000000 ] - [ 0.0003997400000000, 0.0002879000000000, 0.0001264500000000 ] - [ -0.0004663900000000, -0.0019692400000000, 0.0006837800000000 ] - [ 0.0000760400000000, -0.0003576900000000, -0.0004180400000000 ] - [ 0.0081237200000000, 0.0015944500000000, 0.0018386900000000 ] - [ -0.0002647800000000, 0.0026328900000000, -0.0001793500000000 ] - [ -0.0003100100000000, 0.0003355100000000, 0.0005689300000000 ] - [ 0.0004420600000000, 0.0022031100000000, -0.0004921900000000 ] - [ -0.0009655200000000, -0.0285725500000000, -0.0003725000000000 ] - [ -0.0010394600000000, 0.0039232500000000, -0.0003906400000000 ] - [ -0.0010406500000000, -0.0005232400000000, -0.0003873000000000 ] - [ -0.0010420100000000, 0.0005381100000000, -0.0003869000000000 ] - [ 0.0002726900000000, 0.0010851400000000, 0.0027846000000000 ] - [ 0.0018216100000000, 0.0010834800000000, -0.0020303100000000 ] - [ 0.0017227100000000, 0.0003091800000000, -0.0002423800000000 ] - [ 0.0003604500000000, 0.0003035500000000, 0.0010230700000000 ] - [ 0.0022799800000000, 0.0010898000000000, 0.0036899300000000 ] - [ -0.0005459000000000, 0.0024892000000000, -0.0002654300000000 ] - [ 0.0003237800000000, 0.0002387100000000, -0.0008136200000000 ] - [ -0.0002201000000000, 0.0018450400000000, 0.0002896800000000 ] - [ -0.0048883100000000, -0.0002513400000000, 0.0009650100000000 ] - [ 0.0010809600000000, 0.0005775900000000, 0.0002030200000000 ] - [ 0.0006305400000000, -0.0021288600000000, -0.0004130000000000 ] - [ -0.0001690100000000, -0.0003014700000000, 0.0005112100000000 ] - [ -0.0002281000000000, -0.0019928000000000, 0.0005921700000000 ] - [ 0.0002665700000000, -0.0000897400000000, -0.0005668100000000 ] - [ -0.0020954800000000, -0.0008162000000000, -0.0082379800000000 ] - [ 0.0004761700000000, 0.0008102800000000, 0.0008628300000000 ] - [ 0.0050245200000000, 0.0019840000000000, -0.0008493400000000 ] - [ -0.0009588600000000, 0.0027814000000000, -0.0000708400000000 ] - [ -0.0004876300000000, 0.0000832700000000, 0.0005471900000000 ] - [ 0.0003116000000000, 0.0019017600000000, -0.0003840900000000 ] - [ -0.0011002700000000, 0.0005664300000000, -0.0002652000000000 ] - [ -0.0009882000000000, 0.0005612900000000, -0.0005141500000000 ] - [ -0.0014082800000000, 0.0003363400000000, -0.0007016500000000 ] - [ -0.0006752300000000, 0.0003314000000000, -0.0000720500000000 ] - [ 0.0010604900000000, -0.0003292900000000, 0.0003946900000000 ] - [ 0.0010403100000000, 0.0007608300000000, 0.0003856900000000 ] - [ 0.0010253300000000, -0.0013173500000000, 0.0003713800000000 ] - [ 0.0010445500000000, 0.0008628100000000, 0.0003891200000000 ] - [ 0.0000806400000000, 0.0002082900000000, -0.0007214600000000 ] - [ -0.0004092000000000, 0.0021198800000000, 0.0004389400000000 ] - [ 0.0019618000000000, 0.0013778400000000, 0.0081653500000000 ] - [ -0.0006139800000000, 0.0030166500000000, -0.0009734100000000 ] - [ -0.0012591600000000, -0.0002547400000000, -0.0000120300000000 ] - [ 0.0000098700000000, -0.0002444000000000, 0.0009316600000000 ] - [ 0.0001826900000000, -0.0007369800000000, 0.0013697100000000 ] - [ -0.0014326000000000, -0.0007292200000000, -0.0004532400000000 ] - [ 0.0006246600000000, 0.0025845200000000, -0.0004569000000000 ] - [ 0.0006234600000000, -0.0012328800000000, -0.0004580900000000 ] - [ 0.0006226900000000, 0.0020804500000000, -0.0004638500000000 ] - [ 0.0006246600000000, -0.0011207300000000, -0.0004583400000000 ] - [ -0.0006327300000000, 0.0054152100000000, 0.0004705300000000 ] - [ -0.0006268000000000, -0.0015184700000000, 0.0004641400000000 ] - [ -0.0006310600000000, 0.0037635300000000, 0.0004702700000000 ] - [ -0.0006208300000000, -0.0014414800000000, 0.0004546500000000 ] - [ -0.0001738500000000, -0.0062466000000000, 0.0001143600000000 ] - [ 0.0014188500000000, -0.0060532300000000, -0.0010132600000000 ] - [ 0.0007290900000000, -0.0000139000000000, -0.0004560100000000 ] - [ 0.0005190800000000, -0.0000110500000000, -0.0004608600000000 ] - [ 0.0000316200000000, 0.0086565900000000, 0.0000296000000000 ] - [ 0.0000102200000000, -0.0031896800000000, 0.0000073000000000 ] - [ -0.0000027900000000, 0.0017466100000000, -0.0000041500000000 ] - [ -0.0000000800000000, -0.0015204700000000, -0.0000008500000000 ] - [ 0.0019414900000000, -0.0021679200000000, -0.0021202400000000 ] - [ -0.0019499700000000, -0.0021526600000000, 0.0021171300000000 ] - [ -0.0009280200000000, -0.0017747000000000, 0.0023692300000000 ] - [ 0.0009255500000000, -0.0017598000000000, -0.0023752600000000 ] - [ -0.0000002400000000, 0.0019781700000000, -0.0000024700000000 ] - [ -0.0000001200000000, -0.0018602800000000, 0.0000006400000000 ] - [ -0.0001415300000000, 0.0201539600000000, -0.0001334700000000 ] - [ -0.0000121000000000, -0.0037877000000000, -0.0000073700000000 ] - [ 0.0003594200000000, -0.0010971000000000, -0.0023036100000000 ] - [ -0.0003460300000000, -0.0010727500000000, 0.0023096100000000 ] - [ -0.0014000100000000, -0.0014030500000000, 0.0017816300000000 ] - [ 0.0014046600000000, -0.0013838700000000, -0.0017804800000000 ]- atom: 13 displacement: [ -0.0057792543905384, 0.0000000000000000, 0.0081608957038699 ] forces: - [ -0.0041676700000000, 0.0020146900000000, -0.0045294100000000 ] - [ 0.0002961200000000, -0.0016116700000000, -0.0003851700000000 ] - [ -0.0004655500000000, -0.0008431300000000, 0.0014054800000000 ] - [ -0.0003447100000000, -0.0004609600000000, 0.0008858200000000 ] - [ 0.0034009200000000, -0.0023544800000000, 0.0013020400000000 ] - [ 0.0003647800000000, -0.0005956900000000, -0.0003192200000000 ] - [ -0.0012235000000000, -0.0013434300000000, 0.0006603800000000 ] - [ -0.0003652600000000, -0.0012653100000000, 0.0001061900000000 ] - [ -0.0041676700000000, -0.0020146900000000, -0.0045294100000000 ] - [ 0.0002961200000000, 0.0016116700000000, -0.0003851700000000 ] - [ -0.0004655500000000, 0.0008431300000000, 0.0014054800000000 ] - [ -0.0003447100000000, 0.0004609600000000, 0.0008858200000000 ] - [ 0.0177302900000000, 0.0000000000000000, -0.0439796500000000 ] - [ -0.0007274900000000, 0.0000000000000000, -0.0007216500000000 ] - [ -0.0031272400000000, 0.0000000000000000, 0.0029724400000000 ] - [ -0.0014054600000000, 0.0000000000000000, -0.0002086400000000 ] - [ 0.0012233200000000, 0.0024017300000000, 0.0004951800000000 ] - [ 0.0012233200000000, -0.0024017300000000, 0.0004951800000000 ] - [ 0.0003592500000000, -0.0009131500000000, 0.0010523800000000 ] - [ 0.0003592500000000, 0.0009131500000000, 0.0010523800000000 ] - [ 0.0034009200000000, 0.0023544800000000, 0.0013020400000000 ] - [ 0.0003647800000000, 0.0005956900000000, -0.0003192200000000 ] - [ -0.0012235000000000, 0.0013434300000000, 0.0006603800000000 ] - [ -0.0003652600000000, 0.0012653100000000, 0.0001061900000000 ] - [ -0.0051945800000000, 0.0032246200000000, 0.0002462200000000 ] - [ 0.0001836300000000, -0.0017593900000000, -0.0002648400000000 ] - [ 0.0009841700000000, -0.0026915400000000, 0.0023914000000000 ] - [ 0.0000926200000000, -0.0006044700000000, 0.0004515000000000 ] - [ -0.0027333400000000, 0.0001072600000000, 0.0003304500000000 ] - [ -0.0005570600000000, -0.0016280200000000, 0.0002800800000000 ] - [ 0.0042183700000000, -0.0065582800000000, 0.0070169200000000 ] - [ 0.0002643300000000, -0.0004597900000000, -0.0003533000000000 ] - [ -0.0051945800000000, -0.0032246200000000, 0.0002462200000000 ] - [ 0.0001836300000000, 0.0017593900000000, -0.0002648400000000 ] - [ 0.0009841700000000, 0.0026915400000000, 0.0023914000000000 ] - [ 0.0000926200000000, 0.0006044700000000, 0.0004515000000000 ] - [ -0.0028905700000000, -0.0001327400000000, -0.0010589100000000 ] - [ -0.0028905700000000, 0.0001327400000000, -0.0010589100000000 ] - [ 0.0002983300000000, 0.0000437500000000, 0.0008161000000000 ] - [ 0.0002983300000000, -0.0000437500000000, 0.0008161000000000 ] - [ -0.0007901100000000, 0.0000000000000000, 0.0001281500000000 ] - [ 0.0010169300000000, 0.0000000000000000, 0.0005484800000000 ] - [ 0.0028125700000000, 0.0000000000000000, 0.0012331600000000 ] - [ 0.0012324000000000, 0.0000000000000000, 0.0004346800000000 ] - [ -0.0027333400000000, -0.0001072600000000, 0.0003304500000000 ] - [ -0.0005570600000000, 0.0016280200000000, 0.0002800800000000 ] - [ 0.0042183700000000, 0.0065582800000000, 0.0070169200000000 ] - [ 0.0002643300000000, 0.0004597900000000, -0.0003533000000000 ] - [ -0.0006260800000000, -0.0001620500000000, 0.0008906400000000 ] - [ -0.0006260800000000, 0.0001620500000000, 0.0008906400000000 ] - [ -0.0013398400000000, -0.0000058800000000, 0.0007864100000000 ] - [ -0.0013398400000000, 0.0000058800000000, 0.0007864100000000 ] - [ 0.0029977400000000, 0.0000000000000000, 0.0002068000000000 ] - [ 0.0009578700000000, 0.0000000000000000, -0.0003616300000000 ] - [ -0.0008644400000000, 0.0000000000000000, -0.0026591400000000 ] - [ 0.0002182900000000, 0.0000000000000000, -0.0006891300000000 ] - [ -0.0065136300000000, 0.0000000000000000, 0.0075744300000000 ] - [ -0.0006112600000000, 0.0000000000000000, 0.0005957900000000 ] - [ 0.0052088800000000, 0.0000000000000000, -0.0069698300000000 ] - [ -0.0005055400000000, 0.0000000000000000, 0.0003351700000000 ] - [ -0.0019390200000000, 0.0011478400000000, 0.0034355400000000 ] - [ -0.0019390200000000, -0.0011478400000000, 0.0034355400000000 ] - [ 0.0014299600000000, -0.0005500300000000, -0.0015170800000000 ] - [ 0.0014299600000000, 0.0005500300000000, -0.0015170800000000 ] - [ -0.0081551200000000, 0.0000000000000000, 0.0042652900000000 ] - [ -0.0003396300000000, 0.0000000000000000, 0.0009964200000000 ] - [ 0.0007459200000000, 0.0000000000000000, -0.0031009900000000 ] - [ 0.0003950300000000, 0.0000000000000000, -0.0006945900000000 ] - [ 0.0020806500000000, -0.0027240700000000, 0.0000954400000000 ] - [ 0.0020806500000000, 0.0027240700000000, 0.0000954400000000 ] - [ 0.0003586700000000, 0.0025653000000000, -0.0030221400000000 ] - [ 0.0003586700000000, -0.0025653000000000, -0.0030221400000000 ] - [ 0.0030480200000000, 0.0000000000000000, -0.0021640900000000 ] - [ 0.0009764500000000, 0.0000000000000000, -0.0007643100000000 ] - [ -0.0018347800000000, 0.0000000000000000, 0.0248998500000000 ] - [ -0.0011440700000000, 0.0000000000000000, 0.0006807000000000 ] - [ -0.0017000600000000, -0.0025105100000000, -0.0013676000000000 ] - [ -0.0017000600000000, 0.0025105100000000, -0.0013676000000000 ] - [ 0.0023313000000000, 0.0022619400000000, -0.0011093200000000 ] - [ 0.0023313000000000, -0.0022619400000000, -0.0011093200000000 ]- atom: 13 displacement: [ 0.0057792543905384, 0.0000000000000000, -0.0081608957038699 ] forces: - [ 0.0042931900000000, -0.0042193000000000, 0.0046869400000000 ] - [ -0.0001556400000000, -0.0005965000000000, 0.0005149200000000 ] - [ 0.0006174300000000, -0.0013671000000000, -0.0012765900000000 ] - [ 0.0004900500000000, -0.0017452800000000, -0.0007581900000000 ] - [ -0.0035674900000000, 0.0001329300000000, -0.0014007600000000 ] - [ -0.0005097700000000, -0.0016105700000000, 0.0001935900000000 ] - [ 0.0010781700000000, -0.0008578700000000, -0.0007995400000000 ] - [ 0.0002228400000000, -0.0009404100000000, -0.0002391900000000 ] - [ 0.0042931900000000, 0.0042193000000000, 0.0046869400000000 ] - [ -0.0001556400000000, 0.0005965000000000, 0.0005149200000000 ] - [ 0.0006174300000000, 0.0013671000000000, -0.0012765900000000 ] - [ 0.0004900500000000, 0.0017452800000000, -0.0007581900000000 ] - [ -0.0203736200000000, 0.0000000000000000, 0.0440114400000000 ] - [ -0.0013605300000000, 0.0000000000000000, -0.0000540100000000 ] - [ 0.0010549000000000, 0.0000000000000000, -0.0037513000000000 ] - [ -0.0006781300000000, 0.0000000000000000, -0.0005667300000000 ] - [ 0.0008583800000000, -0.0024226600000000, 0.0002933100000000 ] - [ 0.0008583800000000, 0.0024226600000000, 0.0002933100000000 ] - [ 0.0017273700000000, 0.0009069300000000, -0.0002804900000000 ] - [ 0.0017273700000000, -0.0009069300000000, -0.0002804900000000 ] - [ -0.0035674900000000, -0.0001329300000000, -0.0014007600000000 ] - [ -0.0005097700000000, 0.0016105700000000, 0.0001935900000000 ] - [ 0.0010781700000000, 0.0008578700000000, -0.0007995400000000 ] - [ 0.0002228400000000, 0.0009404100000000, -0.0002391900000000 ] - [ 0.0053333900000000, -0.0054237800000000, -0.0001356700000000 ] - [ -0.0000349400000000, -0.0004453100000000, 0.0003926000000000 ] - [ -0.0008630700000000, 0.0005143000000000, -0.0022817100000000 ] - [ 0.0000496000000000, -0.0016069000000000, -0.0003230100000000 ] - [ 0.0026201400000000, -0.0023339400000000, -0.0004483600000000 ] - [ 0.0004127700000000, -0.0005780200000000, -0.0004046600000000 ] - [ -0.0043146100000000, 0.0042940900000000, -0.0070977200000000 ] - [ -0.0004081400000000, -0.0017463400000000, 0.0002178300000000 ] - [ 0.0053333900000000, 0.0054237800000000, -0.0001356700000000 ] - [ -0.0000349400000000, 0.0004453100000000, 0.0003926000000000 ] - [ -0.0008630700000000, -0.0005143000000000, -0.0022817100000000 ] - [ 0.0000496000000000, 0.0016069000000000, -0.0003230100000000 ] - [ 0.0007991600000000, 0.0001348800000000, 0.0002810000000000 ] - [ 0.0007991600000000, -0.0001348800000000, 0.0002810000000000 ] - [ -0.0023890200000000, -0.0000460300000000, -0.0015937900000000 ] - [ -0.0023890200000000, 0.0000460300000000, -0.0015937900000000 ] - [ 0.0029297700000000, 0.0000000000000000, 0.0006756100000000 ] - [ 0.0010693600000000, 0.0000000000000000, 0.0002289100000000 ] - [ -0.0007711000000000, 0.0000000000000000, -0.0004999600000000 ] - [ 0.0008499700000000, 0.0000000000000000, 0.0003387800000000 ] - [ 0.0026201400000000, 0.0023339400000000, -0.0004483600000000 ] - [ 0.0004127700000000, 0.0005780200000000, -0.0004046600000000 ] - [ -0.0043146100000000, -0.0042940900000000, -0.0070977200000000 ] - [ -0.0004081400000000, 0.0017463400000000, 0.0002178300000000 ] - [ -0.0006294000000000, 0.0001587300000000, 0.0000239100000000 ] - [ -0.0006294000000000, -0.0001587300000000, 0.0000239100000000 ] - [ 0.0000963000000000, 0.0000031600000000, 0.0001441100000000 ] - [ 0.0000963000000000, -0.0000031600000000, 0.0001441100000000 ] - [ -0.0017462200000000, 0.0000000000000000, -0.0011283700000000 ] - [ 0.0002893100000000, 0.0000000000000000, -0.0005558700000000 ] - [ 0.0021165100000000, 0.0000000000000000, 0.0017354600000000 ] - [ 0.0010324200000000, 0.0000000000000000, -0.0002250700000000 ] - [ 0.0057577400000000, 0.0000000000000000, -0.0073749400000000 ] - [ -0.0006368200000000, 0.0000000000000000, 0.0003201900000000 ] - [ -0.0064555800000000, 0.0000000000000000, 0.0078924900000000 ] - [ -0.0007454100000000, 0.0000000000000000, 0.0005864800000000 ] - [ 0.0031869500000000, -0.0011843600000000, -0.0043554200000000 ] - [ 0.0031869500000000, 0.0011843600000000, -0.0043554200000000 ] - [ -0.0001857700000000, 0.0005650200000000, 0.0006047900000000 ] - [ -0.0001857700000000, -0.0005650200000000, 0.0006047900000000 ] - [ 0.0081977200000000, 0.0000000000000000, -0.0043106500000000 ] - [ 0.0003383000000000, 0.0000000000000000, -0.0010020500000000 ] - [ -0.0007343100000000, 0.0000000000000000, 0.0031384200000000 ] - [ -0.0003946000000000, 0.0000000000000000, 0.0007013300000000 ] - [ -0.0020797600000000, 0.0027239400000000, -0.0001305400000000 ] - [ -0.0020797600000000, -0.0027239400000000, -0.0001305400000000 ] - [ -0.0003628600000000, -0.0025627300000000, 0.0030294500000000 ] - [ -0.0003628600000000, 0.0025627300000000, 0.0030294500000000 ] - [ -0.0031016800000000, 0.0000000000000000, 0.0021504500000000 ] - [ -0.0009790600000000, 0.0000000000000000, 0.0007625900000000 ] - [ 0.0018405100000000, 0.0000000000000000, -0.0250646600000000 ] - [ 0.0011490700000000, 0.0000000000000000, -0.0006759100000000 ] - [ 0.0017281600000000, 0.0025240600000000, 0.0013541300000000 ] - [ 0.0017281600000000, -0.0025240600000000, 0.0013541300000000 ] - [ -0.0023376900000000, -0.0022617400000000, 0.0011227300000000 ] - [ -0.0023376900000000, 0.0022617400000000, 0.0011227300000000 ]- atom: 49 displacement: [ 0.0099999905219115, 0.0000000000000000, -0.0000137681400743 ] forces: - [ -0.0017096700000000, -0.0001476300000000, 0.0015942200000000 ] - [ -0.0004890500000000, -0.0010809100000000, 0.0003964300000000 ] - [ 0.0049740200000000, -0.0009573100000000, -0.0008434300000000 ] - [ 0.0007738000000000, -0.0017510200000000, -0.0004067200000000 ] - [ -0.0002115600000000, -0.0023882000000000, 0.0001928100000000 ] - [ 0.0017426600000000, 0.0001018200000000, 0.0003758800000000 ] - [ -0.0000376300000000, -0.0009324200000000, 0.0001102600000000 ] - [ 0.0000604900000000, -0.0020227800000000, 0.0011176700000000 ] - [ -0.0004890500000000, 0.0010809100000000, 0.0003964300000000 ] - [ -0.0017096700000000, 0.0001476300000000, 0.0015942200000000 ] - [ 0.0007738000000000, 0.0017510200000000, -0.0004067200000000 ] - [ 0.0049740200000000, 0.0009573100000000, -0.0008434300000000 ] - [ -0.0024198800000000, -0.0006365300000000, -0.0013666100000000 ] - [ -0.0024198800000000, 0.0006365300000000, -0.0013666100000000 ] - [ -0.0020786400000000, 0.0008046800000000, -0.0019961500000000 ] - [ -0.0020786400000000, -0.0008046800000000, -0.0019961500000000 ] - [ -0.0054615400000000, 0.0000000000000000, -0.0013056000000000 ] - [ 0.0003405500000000, 0.0000000000000000, 0.0003020900000000 ] - [ 0.0014061100000000, 0.0000000000000000, -0.0011728000000000 ] - [ 0.0009938800000000, 0.0000000000000000, -0.0001433400000000 ] - [ 0.0017426600000000, -0.0001018200000000, 0.0003758800000000 ] - [ -0.0002115600000000, 0.0023882000000000, 0.0001928100000000 ] - [ 0.0000604900000000, 0.0020227800000000, 0.0011176700000000 ] - [ -0.0000376300000000, 0.0009324200000000, 0.0001102600000000 ] - [ 0.0008541700000000, -0.0018638600000000, -0.0006123000000000 ] - [ 0.0034733000000000, -0.0008346400000000, -0.0037964200000000 ] - [ -0.0004686100000000, -0.0011092200000000, 0.0002903000000000 ] - [ -0.0030580700000000, 0.0000257800000000, 0.0018612300000000 ] - [ -0.0053514100000000, 0.0047109700000000, -0.0014616700000000 ] - [ -0.0004085200000000, -0.0025494200000000, 0.0002058600000000 ] - [ 0.0000909500000000, -0.0015199700000000, -0.0003339800000000 ] - [ 0.0000082200000000, -0.0008513700000000, -0.0001303100000000 ] - [ 0.0034733000000000, 0.0008346400000000, -0.0037964200000000 ] - [ 0.0008541700000000, 0.0018638600000000, -0.0006123000000000 ] - [ -0.0030580700000000, -0.0000257800000000, 0.0018612300000000 ] - [ -0.0004686100000000, 0.0011092200000000, 0.0002903000000000 ] - [ 0.0077097100000000, 0.0000000000000000, -0.0015114500000000 ] - [ -0.0004832600000000, 0.0000000000000000, 0.0000234700000000 ] - [ -0.0014084800000000, 0.0000000000000000, 0.0065093000000000 ] - [ -0.0009021300000000, 0.0000000000000000, -0.0001446000000000 ] - [ 0.0066149400000000, 0.0008212500000000, 0.0011919000000000 ] - [ 0.0066149400000000, -0.0008212500000000, 0.0011919000000000 ] - [ 0.0006826100000000, -0.0001058400000000, 0.0011263000000000 ] - [ 0.0006826100000000, 0.0001058400000000, 0.0011263000000000 ] - [ -0.0004085200000000, 0.0025494200000000, 0.0002058600000000 ] - [ -0.0053514100000000, -0.0047109700000000, -0.0014616700000000 ] - [ 0.0000082200000000, 0.0008513700000000, -0.0001303100000000 ] - [ 0.0000909500000000, 0.0015199700000000, -0.0003339800000000 ] - [ -0.0536696200000000, 0.0000000000000000, 0.0052229800000000 ] - [ -0.0014844700000000, 0.0000000000000000, 0.0003535200000000 ] - [ 0.0009093200000000, 0.0000000000000000, -0.0019920000000000 ] - [ -0.0004081300000000, 0.0000000000000000, 0.0001630000000000 ] - [ 0.0006262700000000, -0.0028210400000000, -0.0028503700000000 ] - [ 0.0006262700000000, 0.0028210400000000, -0.0028503700000000 ] - [ -0.0004277100000000, 0.0034633300000000, -0.0033530300000000 ] - [ -0.0004277100000000, -0.0034633300000000, -0.0033530300000000 ] - [ 0.0027499900000000, 0.0004844700000000, 0.0004418700000000 ] - [ 0.0027499900000000, -0.0004844700000000, 0.0004418700000000 ] - [ -0.0009256200000000, 0.0000272200000000, 0.0016433700000000 ] - [ -0.0009256200000000, -0.0000272200000000, 0.0016433700000000 ] - [ 0.0050148600000000, 0.0000000000000000, 0.0047036400000000 ] - [ 0.0008753800000000, 0.0000000000000000, -0.0002984400000000 ] - [ 0.0061047400000000, 0.0000000000000000, 0.0041618400000000 ] - [ 0.0009363000000000, 0.0000000000000000, -0.0000657100000000 ] - [ -0.0013995100000000, 0.0108006100000000, 0.0055036900000000 ] - [ -0.0013995100000000, -0.0108006100000000, 0.0055036900000000 ] - [ 0.0017801900000000, 0.0004709600000000, -0.0008918800000000 ] - [ 0.0017801900000000, -0.0004709600000000, -0.0008918800000000 ] - [ 0.0188640500000000, 0.0000000000000000, -0.0079096900000000 ] - [ 0.0007453600000000, 0.0000000000000000, -0.0008595800000000 ] - [ -0.0065018300000000, 0.0000000000000000, 0.0010293000000000 ] - [ -0.0006744300000000, 0.0000000000000000, 0.0006003800000000 ] - [ -0.0008363500000000, -0.0119452800000000, 0.0050074000000000 ] - [ -0.0008363500000000, 0.0119452800000000, 0.0050074000000000 ] - [ 0.0014639600000000, -0.0001638800000000, -0.0004932300000000 ] - [ 0.0014639600000000, 0.0001638800000000, -0.0004932300000000 ] - [ 0.0237896400000000, 0.0000000000000000, -0.0106764700000000 ] - [ 0.0012445800000000, 0.0000000000000000, -0.0005368100000000 ] - [ -0.0090914500000000, 0.0000000000000000, -0.0018593400000000 ] - [ -0.0009958200000000, 0.0000000000000000, 0.0003601400000000 ]- atom: 49 displacement: [ -0.0099999905219115, 0.0000000000000000, 0.0000137681400743 ] forces: - [ 0.0018526700000000, -0.0020664300000000, -0.0014741000000000 ] - [ 0.0006317200000000, -0.0011217900000000, -0.0002648200000000 ] - [ -0.0048619700000000, -0.0011952100000000, 0.0009184500000000 ] - [ -0.0006289700000000, -0.0004663200000000, 0.0005320500000000 ] - [ 0.0000729200000000, 0.0001813900000000, -0.0003262700000000 ] - [ -0.0015107200000000, -0.0025139400000000, -0.0005264400000000 ] - [ -0.0001080700000000, -0.0012733200000000, -0.0002410700000000 ] - [ -0.0002057000000000, -0.0001838800000000, -0.0012428100000000 ] - [ 0.0006317200000000, 0.0011217900000000, -0.0002648200000000 ] - [ 0.0018526700000000, 0.0020664300000000, -0.0014741000000000 ] - [ -0.0006289700000000, 0.0004663200000000, 0.0005320500000000 ] - [ -0.0048619700000000, 0.0011952100000000, 0.0009184500000000 ] - [ 0.0003370100000000, 0.0006307200000000, 0.0005832800000000 ] - [ 0.0003370100000000, -0.0006307200000000, 0.0005832800000000 ] - [ -0.0000151400000000, -0.0008079900000000, 0.0012256200000000 ] - [ -0.0000151400000000, 0.0008079900000000, 0.0012256200000000 ] - [ 0.0075293900000000, 0.0000000000000000, 0.0020820600000000 ] - [ 0.0017406500000000, 0.0000000000000000, 0.0004749400000000 ] - [ 0.0006707700000000, 0.0000000000000000, 0.0019510900000000 ] - [ 0.0010845700000000, 0.0000000000000000, 0.0009168800000000 ] - [ -0.0015107200000000, 0.0025139400000000, -0.0005264400000000 ] - [ 0.0000729200000000, -0.0001813900000000, -0.0003262700000000 ] - [ -0.0002057000000000, 0.0001838800000000, -0.0012428100000000 ] - [ -0.0001080700000000, 0.0012733200000000, -0.0002410700000000 ] - [ -0.0007066500000000, -0.0003412400000000, 0.0007430800000000 ] - [ -0.0032969500000000, -0.0013808900000000, 0.0039393800000000 ] - [ 0.0006110800000000, -0.0010956900000000, -0.0001563200000000 ] - [ 0.0031956000000000, -0.0022189300000000, -0.0017196300000000 ] - [ 0.0051217600000000, -0.0069307000000000, 0.0013511800000000 ] - [ 0.0002585200000000, 0.0003513300000000, -0.0003384400000000 ] - [ -0.0002266400000000, -0.0006843700000000, 0.0001899300000000 ] - [ -0.0001484400000000, -0.0013502400000000, -0.0000050700000000 ] - [ -0.0032969500000000, 0.0013808900000000, 0.0039393800000000 ] - [ -0.0007066500000000, 0.0003412400000000, 0.0007430800000000 ] - [ 0.0031956000000000, 0.0022189300000000, -0.0017196300000000 ] - [ 0.0006110800000000, 0.0010956900000000, -0.0001563200000000 ] - [ -0.0099903400000000, 0.0000000000000000, 0.0010094600000000 ] - [ -0.0016007800000000, 0.0000000000000000, -0.0007979200000000 ] - [ -0.0006330100000000, 0.0000000000000000, -0.0072584800000000 ] - [ -0.0011753600000000, 0.0000000000000000, -0.0006319000000000 ] - [ -0.0045345100000000, -0.0007742200000000, -0.0004100100000000 ] - [ -0.0045345100000000, 0.0007742200000000, -0.0004100100000000 ] - [ 0.0013990800000000, 0.0001038600000000, -0.0003492600000000 ] - [ 0.0013990800000000, -0.0001038600000000, -0.0003492600000000 ] - [ 0.0002585200000000, -0.0003513300000000, -0.0003384400000000 ] - [ 0.0051217600000000, 0.0069307000000000, 0.0013511800000000 ] - [ -0.0001484400000000, 0.0013502400000000, -0.0000050700000000 ] - [ -0.0002266400000000, 0.0006843700000000, 0.0001899300000000 ] - [ 0.0518901000000000, 0.0000000000000000, -0.0044793300000000 ] - [ 0.0002333300000000, 0.0000000000000000, 0.0005624700000000 ] - [ -0.0021500800000000, 0.0000000000000000, 0.0028971400000000 ] - [ -0.0008412000000000, 0.0000000000000000, 0.0007556200000000 ] - [ 0.0006364000000000, 0.0028202800000000, 0.0019301500000000 ] - [ 0.0006364000000000, -0.0028202800000000, 0.0019301500000000 ] - [ 0.0016505200000000, -0.0034528900000000, 0.0024273900000000 ] - [ 0.0016505200000000, 0.0034528900000000, 0.0024273900000000 ] - [ -0.0039978300000000, -0.0004753800000000, 0.0004771500000000 ] - [ -0.0039978300000000, 0.0004753800000000, 0.0004771500000000 ] - [ -0.0003194500000000, -0.0000313200000000, -0.0007184900000000 ] - [ -0.0003194500000000, 0.0000313200000000, -0.0007184900000000 ] - [ -0.0037363700000000, 0.0000000000000000, -0.0055641300000000 ] - [ 0.0003703400000000, 0.0000000000000000, -0.0006172500000000 ] - [ -0.0048774500000000, 0.0000000000000000, -0.0051299300000000 ] - [ 0.0003170800000000, 0.0000000000000000, -0.0008541800000000 ] - [ 0.0013457300000000, -0.0107506000000000, -0.0054736400000000 ] - [ 0.0013457300000000, 0.0107506000000000, -0.0054736400000000 ] - [ -0.0017749400000000, -0.0004633900000000, 0.0008838100000000 ] - [ -0.0017749400000000, 0.0004633900000000, 0.0008838100000000 ] - [ -0.0190279700000000, 0.0000000000000000, 0.0080267400000000 ] - [ -0.0007407200000000, 0.0000000000000000, 0.0008607600000000 ] - [ 0.0064649200000000, 0.0000000000000000, -0.0009381600000000 ] - [ 0.0006672300000000, 0.0000000000000000, -0.0005914200000000 ] - [ 0.0009280100000000, 0.0119711400000000, -0.0050403100000000 ] - [ 0.0009280100000000, -0.0119711400000000, -0.0050403100000000 ] - [ -0.0014675300000000, 0.0001695500000000, 0.0005005700000000 ] - [ -0.0014675300000000, -0.0001695500000000, 0.0005005700000000 ] - [ -0.0235150500000000, 0.0000000000000000, 0.0105194800000000 ] - [ -0.0012467100000000, 0.0000000000000000, 0.0005358300000000 ] - [ 0.0090927300000000, 0.0000000000000000, 0.0018020500000000 ] - [ 0.0009989300000000, 0.0000000000000000, -0.0003624800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001351100000000, 0.0001186800000000, 0.0000838900000000 ] - [ 0.0000097300000000, -0.0021988000000000, -0.0000503100000000 ] - [ 0.0000873300000000, 0.0039597300000000, 0.0018941200000000 ] - [ 0.0004266900000000, -0.0047157500000000, -0.0020206400000000 ] - [ -0.0011930300000000, -0.0038645000000000, 0.0007325200000000 ] - [ 0.0022798000000000, 0.0055407800000000, -0.0018261400000000 ] - [ -0.0001322700000000, -0.0022117500000000, -0.0001721800000000 ] - [ -0.0004475400000000, -0.0001264800000000, 0.0003177200000000 ] - [ 0.0001371900000000, 0.0000113800000000, 0.0001771800000000 ] - [ 0.0000034400000000, 0.0023127900000000, 0.0000489700000000 ] - [ -0.0002809400000000, -0.0025157400000000, 0.0021637900000000 ] - [ 0.0000072600000000, 0.0060400100000000, -0.0019148000000000 ] - [ -0.0028398600000000, -0.0002458400000000, -0.0018559700000000 ] - [ 0.0007448200000000, -0.0002518700000000, 0.0010749600000000 ] - [ 0.0005321700000000, -0.0007301900000000, 0.0007231900000000 ] - [ -0.0026158300000000, -0.0007366500000000, -0.0014956100000000 ] - [ 0.0010419500000000, 0.0025849300000000, 0.0003867800000000 ] - [ 0.0010428200000000, -0.0012332200000000, 0.0003883900000000 ] - [ 0.0010432600000000, 0.0020792200000000, 0.0003880200000000 ] - [ 0.0010435000000000, -0.0011220600000000, 0.0003887200000000 ] - [ -0.0022771500000000, 0.0078682900000000, 0.0016986200000000 ] - [ 0.0010419200000000, -0.0016561000000000, -0.0008590600000000 ] - [ 0.0003022500000000, 0.0020942000000000, -0.0004351400000000 ] - [ -0.0000105500000000, -0.0000088400000000, 0.0000390700000000 ] - [ 0.0001963500000000, -0.0034329600000000, -0.0012909000000000 ] - [ 0.0009191100000000, 0.0014209500000000, 0.0056414100000000 ] - [ 0.0000137100000000, -0.0020873100000000, 0.0001445000000000 ] - [ 0.0009086900000000, -0.0003673700000000, -0.0009124300000000 ] - [ 0.0056249200000000, 0.0006551500000000, -0.0005178400000000 ] - [ -0.0020192600000000, -0.0041115900000000, 0.0004726300000000 ] - [ -0.0001650500000000, 0.0000504900000000, 0.0000584400000000 ] - [ -0.0001633300000000, -0.0021657200000000, 0.0000846300000000 ] - [ -0.0007608900000000, 0.0036896400000000, -0.0055010600000000 ] - [ -0.0000538700000000, -0.0012251100000000, 0.0014116000000000 ] - [ -0.0007638700000000, 0.0018441500000000, 0.0010386900000000 ] - [ 0.0001256400000000, 0.0001127900000000, -0.0000121500000000 ] - [ -0.0010482100000000, 0.0054158200000000, -0.0003740100000000 ] - [ -0.0010431500000000, -0.0015188800000000, -0.0003907000000000 ] - [ -0.0010392100000000, 0.0037628700000000, -0.0003954200000000 ] - [ -0.0010442100000000, -0.0014415100000000, -0.0003875100000000 ] - [ 0.0029769500000000, -0.0060371500000000, 0.0003327400000000 ] - [ -0.0008756100000000, -0.0062618300000000, 0.0004611900000000 ] - [ 0.0012420900000000, -0.0000111200000000, 0.0012146900000000 ] - [ 0.0008385700000000, -0.0000153700000000, -0.0004373600000000 ] - [ 0.0018891400000000, -0.0019078100000000, -0.0006022100000000 ] - [ -0.0057827000000000, 0.0028012900000000, 0.0003836900000000 ] - [ 0.0000194200000000, 0.0000455900000000, -0.0002102900000000 ] - [ 0.0000242200000000, 0.0022506500000000, -0.0001880600000000 ] - [ -0.0007015000000000, -0.0470556200000000, 0.0006110500000000 ] - [ -0.0006238200000000, 0.0051081600000000, 0.0004605100000000 ] - [ -0.0006203600000000, -0.0011631100000000, 0.0004555300000000 ] - [ -0.0006242100000000, 0.0010324500000000, 0.0004587200000000 ] - [ -0.0022027000000000, 0.0023227300000000, 0.0041077300000000 ] - [ 0.0034268600000000, 0.0023229300000000, -0.0049875100000000 ] - [ 0.0040902500000000, 0.0034536800000000, -0.0047072100000000 ] - [ -0.0028137200000000, 0.0034409200000000, 0.0037532400000000 ] - [ -0.0011048000000000, 0.0006965200000000, 0.0006738200000000 ] - [ -0.0001463100000000, 0.0007062800000000, 0.0002431200000000 ] - [ -0.0006538300000000, 0.0006501400000000, -0.0001119200000000 ] - [ -0.0005947700000000, 0.0006588700000000, 0.0010282300000000 ] - [ 0.0006134400000000, -0.0029200600000000, -0.0004661600000000 ] - [ 0.0006246000000000, 0.0013505000000000, -0.0004573800000000 ] - [ 0.0006324000000000, -0.0039804700000000, -0.0004523900000000 ] - [ 0.0006226900000000, 0.0020588700000000, -0.0004608900000000 ] - [ 0.0106352000000000, 0.0115544100000000, 0.0073294800000000 ] - [ -0.0105130100000000, 0.0114742500000000, -0.0072421300000000 ] - [ -0.0007192600000000, 0.0003705600000000, -0.0005132700000000 ] - [ 0.0007226900000000, 0.0003829500000000, 0.0005106900000000 ] - [ 0.0000436600000000, -0.0077103000000000, -0.0000006000000000 ] - [ -0.0000014900000000, 0.0035753500000000, 0.0000037300000000 ] - [ 0.0000028300000000, -0.0093888000000000, 0.0000236800000000 ] - [ 0.0000015400000000, 0.0037243600000000, -0.0000050800000000 ] - [ -0.0126707000000000, 0.0141055700000000, -0.0089497300000000 ] - [ 0.0125154000000000, 0.0140045400000000, 0.0088357900000000 ] - [ 0.0002777800000000, 0.0001097600000000, 0.0003380700000000 ] - [ -0.0002773900000000, 0.0001219200000000, -0.0003379300000000 ] - [ -0.0000283200000000, -0.0118263900000000, 0.0000069800000000 ] - [ 0.0000040500000000, 0.0035522400000000, -0.0000030700000000 ] - [ -0.0000174700000000, -0.0085376600000000, -0.0000486300000000 ] - [ -0.0000012600000000, 0.0033466000000000, 0.0000031500000000 ]- atom: 49 displacement: [ -0.0057792543905384, 0.0000000000000000, 0.0081608957038699 ] forces: - [ 0.0020459900000000, -0.0024010000000000, -0.0014113300000000 ] - [ 0.0006977900000000, -0.0008972600000000, -0.0002454100000000 ] - [ -0.0044266000000000, 0.0014344000000000, 0.0045348100000000 ] - [ -0.0002790800000000, -0.0023766200000000, 0.0003828600000000 ] - [ -0.0001672700000000, -0.0005883300000000, 0.0006367200000000 ] - [ -0.0007874200000000, -0.0026287600000000, 0.0041498100000000 ] - [ -0.0000951200000000, -0.0013862300000000, -0.0007196000000000 ] - [ 0.0007242600000000, 0.0008301500000000, -0.0037354200000000 ] - [ 0.0006977900000000, 0.0008972600000000, -0.0002454100000000 ] - [ 0.0020459900000000, 0.0024010000000000, -0.0014113300000000 ] - [ -0.0002790800000000, 0.0023766200000000, 0.0003828600000000 ] - [ -0.0044266000000000, -0.0014344000000000, 0.0045348100000000 ] - [ -0.0008810400000000, -0.0000192400000000, 0.0001585300000000 ] - [ -0.0008810400000000, 0.0000192400000000, 0.0001585300000000 ] - [ -0.0022009100000000, 0.0002770400000000, -0.0003770300000000 ] - [ -0.0022009100000000, -0.0002770400000000, -0.0003770300000000 ] - [ 0.0056557100000000, 0.0000000000000000, 0.0026428800000000 ] - [ 0.0013917800000000, 0.0000000000000000, 0.0004977000000000 ] - [ -0.0019891100000000, 0.0000000000000000, -0.0029018000000000 ] - [ 0.0006985600000000, 0.0000000000000000, 0.0002021200000000 ] - [ -0.0007874200000000, 0.0026287600000000, 0.0041498100000000 ] - [ -0.0001672700000000, 0.0005883300000000, 0.0006367200000000 ] - [ 0.0007242600000000, -0.0008301500000000, -0.0037354200000000 ] - [ -0.0000951200000000, 0.0013862300000000, -0.0007196000000000 ] - [ -0.0004442700000000, -0.0013136500000000, 0.0003051000000000 ] - [ -0.0049469900000000, 0.0027500600000000, -0.0018754500000000 ] - [ 0.0005586900000000, -0.0010571800000000, -0.0001400400000000 ] - [ 0.0025560200000000, -0.0024107300000000, -0.0010318600000000 ] - [ 0.0022798300000000, -0.0053363300000000, 0.0046794800000000 ] - [ 0.0002054400000000, -0.0002588700000000, 0.0002260500000000 ] - [ 0.0001588600000000, -0.0000179400000000, -0.0020772300000000 ] - [ -0.0001313900000000, -0.0012271500000000, -0.0005176900000000 ] - [ -0.0049469900000000, -0.0027500600000000, -0.0018754500000000 ] - [ -0.0004442700000000, 0.0013136500000000, 0.0003051000000000 ] - [ 0.0025560200000000, 0.0024107300000000, -0.0010318600000000 ] - [ 0.0005586900000000, 0.0010571800000000, -0.0001400400000000 ] - [ -0.0083418900000000, 0.0000000000000000, 0.0068376100000000 ] - [ -0.0013129700000000, 0.0000000000000000, -0.0004491500000000 ] - [ 0.0048525200000000, 0.0000000000000000, -0.0077685400000000 ] - [ -0.0006739800000000, 0.0000000000000000, -0.0003403700000000 ] - [ -0.0012875800000000, -0.0008976500000000, 0.0044617400000000 ] - [ -0.0012875800000000, 0.0008976500000000, 0.0044617400000000 ] - [ 0.0016589800000000, 0.0000570000000000, -0.0008077500000000 ] - [ 0.0016589800000000, -0.0000570000000000, -0.0008077500000000 ] - [ 0.0002054400000000, 0.0002588700000000, 0.0002260500000000 ] - [ 0.0022798300000000, 0.0053363300000000, 0.0046794800000000 ] - [ -0.0001313900000000, 0.0012271500000000, -0.0005176900000000 ] - [ 0.0001588600000000, 0.0000179400000000, -0.0020772300000000 ] - [ 0.0339691500000000, 0.0000000000000000, -0.0490499400000000 ] - [ -0.0002155800000000, 0.0000000000000000, -0.0002963100000000 ] - [ -0.0034994200000000, 0.0000000000000000, 0.0042937300000000 ] - [ -0.0009913600000000, 0.0000000000000000, 0.0009698600000000 ] - [ -0.0013256800000000, 0.0053645400000000, 0.0017819800000000 ] - [ -0.0013256800000000, -0.0053645400000000, 0.0017819800000000 ] - [ -0.0011303300000000, -0.0054273100000000, 0.0024289600000000 ] - [ -0.0011303300000000, 0.0054273100000000, 0.0024289600000000 ] - [ -0.0025905400000000, -0.0004548200000000, -0.0000468200000000 ] - [ -0.0025905400000000, 0.0004548200000000, -0.0000468200000000 ] - [ 0.0005204800000000, 0.0004476800000000, 0.0023231700000000 ] - [ 0.0005204800000000, -0.0004476800000000, 0.0023231700000000 ] - [ 0.0022747600000000, 0.0000000000000000, -0.0024931600000000 ] - [ 0.0006073200000000, 0.0000000000000000, -0.0004613300000000 ] - [ 0.0012568800000000, 0.0000000000000000, -0.0013278100000000 ] - [ 0.0007693900000000, 0.0000000000000000, -0.0006133200000000 ] - [ 0.0042788000000000, -0.0004192400000000, -0.0066657500000000 ] - [ 0.0042788000000000, 0.0004192400000000, -0.0066657500000000 ] - [ -0.0012272300000000, 0.0001866700000000, 0.0024179000000000 ] - [ -0.0012272300000000, -0.0001866700000000, 0.0024179000000000 ] - [ -0.0198338300000000, 0.0000000000000000, 0.0011822200000000 ] - [ -0.0005471200000000, 0.0000000000000000, -0.0000366500000000 ] - [ 0.0046971500000000, 0.0000000000000000, 0.0179172300000000 ] - [ 0.0002479100000000, 0.0000000000000000, 0.0008541200000000 ] - [ 0.0055731700000000, -0.0009551200000000, -0.0079410700000000 ] - [ 0.0055731700000000, 0.0009551200000000, -0.0079410700000000 ] - [ -0.0013180900000000, 0.0001605400000000, 0.0018262000000000 ] - [ -0.0013180900000000, -0.0001605400000000, 0.0018262000000000 ] - [ -0.0214073600000000, 0.0000000000000000, 0.0026174200000000 ] - [ -0.0009340200000000, 0.0000000000000000, -0.0002931000000000 ] - [ 0.0066497200000000, 0.0000000000000000, 0.0221151800000000 ] - [ 0.0006382400000000, 0.0000000000000000, 0.0004597100000000 ]- atom: 49 displacement: [ 0.0057792543905384, 0.0000000000000000, -0.0081608957038699 ] forces: - [ -0.0018894400000000, 0.0001851700000000, 0.0015388300000000 ] - [ -0.0005506200000000, -0.0013031400000000, 0.0003795900000000 ] - [ 0.0045238700000000, -0.0035242700000000, -0.0045974000000000 ] - [ 0.0004251100000000, 0.0001641200000000, -0.0002577500000000 ] - [ 0.0000275000000000, -0.0016120600000000, -0.0007731800000000 ] - [ 0.0008370800000000, 0.0003210300000000, -0.0043124000000000 ] - [ -0.0000520300000000, -0.0008226800000000, 0.0005853600000000 ] - [ -0.0008666400000000, -0.0030191800000000, 0.0035798100000000 ] - [ -0.0005506200000000, 0.0013031400000000, 0.0003795900000000 ] - [ -0.0018894400000000, -0.0001851700000000, 0.0015388300000000 ] - [ 0.0004251100000000, -0.0001641200000000, -0.0002577500000000 ] - [ 0.0045238700000000, 0.0035242700000000, -0.0045974000000000 ] - [ -0.0011954600000000, 0.0000169600000000, -0.0009290100000000 ] - [ -0.0011954600000000, -0.0000169600000000, -0.0009290100000000 ] - [ 0.0001066100000000, -0.0002771600000000, -0.0004035500000000 ] - [ 0.0001066100000000, 0.0002771600000000, -0.0004035500000000 ] - [ -0.0035516400000000, 0.0000000000000000, -0.0018518700000000 ] - [ 0.0006887300000000, 0.0000000000000000, 0.0002792800000000 ] - [ 0.0040724700000000, 0.0000000000000000, 0.0036740400000000 ] - [ 0.0013806900000000, 0.0000000000000000, 0.0005729900000000 ] - [ 0.0008370800000000, -0.0003210300000000, -0.0043124000000000 ] - [ 0.0000275000000000, 0.0016120600000000, -0.0007731800000000 ] - [ -0.0008666400000000, 0.0030191800000000, 0.0035798100000000 ] - [ -0.0000520300000000, 0.0008226800000000, 0.0005853600000000 ] - [ 0.0005859500000000, -0.0008891400000000, -0.0001679400000000 ] - [ 0.0050499400000000, -0.0049436300000000, 0.0020526200000000 ] - [ -0.0004150800000000, -0.0011489100000000, 0.0002686600000000 ] - [ -0.0024192800000000, 0.0002143700000000, 0.0011550600000000 ] - [ -0.0024657200000000, 0.0031267500000000, -0.0047608500000000 ] - [ -0.0003549400000000, -0.0019488100000000, -0.0003560100000000 ] - [ -0.0002965700000000, -0.0021919000000000, 0.0019469400000000 ] - [ -0.0000091400000000, -0.0009747100000000, 0.0003837900000000 ] - [ 0.0050499400000000, 0.0049436300000000, 0.0020526200000000 ] - [ 0.0005859500000000, 0.0008891400000000, -0.0001679400000000 ] - [ -0.0024192800000000, -0.0002143700000000, 0.0011550600000000 ] - [ -0.0004150800000000, 0.0011489100000000, 0.0002686600000000 ] - [ 0.0057067200000000, 0.0000000000000000, -0.0068535600000000 ] - [ -0.0007713700000000, 0.0000000000000000, -0.0003238900000000 ] - [ -0.0069655000000000, 0.0000000000000000, 0.0069831100000000 ] - [ -0.0014043900000000, 0.0000000000000000, -0.0004377900000000 ] - [ 0.0033561000000000, 0.0009440800000000, -0.0036695400000000 ] - [ 0.0033561000000000, -0.0009440800000000, -0.0036695400000000 ] - [ 0.0004238900000000, -0.0000614100000000, 0.0015834500000000 ] - [ 0.0004238900000000, 0.0000614100000000, 0.0015834500000000 ] - [ -0.0003549400000000, 0.0019488100000000, -0.0003560100000000 ] - [ -0.0024657200000000, -0.0031267500000000, -0.0047608500000000 ] - [ -0.0000091400000000, 0.0009747100000000, 0.0003837900000000 ] - [ -0.0002965700000000, 0.0021919000000000, 0.0019469400000000 ] - [ -0.0348182600000000, 0.0000000000000000, 0.0493838000000000 ] - [ -0.0010352300000000, 0.0000000000000000, 0.0012128600000000 ] - [ 0.0022484900000000, 0.0000000000000000, -0.0033808300000000 ] - [ -0.0002590900000000, 0.0000000000000000, -0.0000506500000000 ] - [ 0.0025635800000000, -0.0053111000000000, -0.0026938100000000 ] - [ 0.0025635800000000, 0.0053111000000000, -0.0026938100000000 ] - [ 0.0023784000000000, 0.0054653700000000, -0.0033526600000000 ] - [ 0.0023784000000000, -0.0054653700000000, -0.0033526600000000 ] - [ 0.0013394100000000, 0.0004522200000000, 0.0009647800000000 ] - [ 0.0013394100000000, -0.0004522200000000, 0.0009647800000000 ] - [ -0.0017627300000000, -0.0004464500000000, -0.0013930700000000 ] - [ -0.0017627300000000, 0.0004464500000000, -0.0013930700000000 ] - [ -0.0010406900000000, 0.0000000000000000, 0.0015547000000000 ] - [ 0.0006387200000000, 0.0000000000000000, -0.0004571200000000 ] - [ 0.0000231300000000, 0.0000000000000000, 0.0004308000000000 ] - [ 0.0004839100000000, 0.0000000000000000, -0.0003023900000000 ] - [ -0.0043157300000000, 0.0003720300000000, 0.0066179900000000 ] - [ -0.0043157300000000, -0.0003720300000000, 0.0066179900000000 ] - [ 0.0012296500000000, -0.0001739300000000, -0.0024061300000000 ] - [ 0.0012296500000000, 0.0001739300000000, -0.0024061300000000 ] - [ 0.0196147100000000, 0.0000000000000000, -0.0012031500000000 ] - [ 0.0005508600000000, 0.0000000000000000, 0.0000274700000000 ] - [ -0.0047684200000000, 0.0000000000000000, -0.0180447700000000 ] - [ -0.0002538800000000, 0.0000000000000000, -0.0008461500000000 ] - [ -0.0055049700000000, 0.0008943300000000, 0.0079646700000000 ] - [ -0.0055049700000000, -0.0008943300000000, 0.0079646700000000 ] - [ 0.0013080800000000, -0.0001505300000000, -0.0018255300000000 ] - [ 0.0013080800000000, 0.0001505300000000, -0.0018255300000000 ] - [ 0.0215856500000000, 0.0000000000000000, -0.0025746600000000 ] - [ 0.0009298900000000, 0.0000000000000000, 0.0002993600000000 ] - [ -0.0065396000000000, 0.0000000000000000, -0.0218732800000000 ] - [ -0.0006295500000000, 0.0000000000000000, -0.0004637100000000 ]- atom: 65 displacement: [ 0.0099999905219115, 0.0000000000000000, -0.0000137681400743 ] forces: - [ -0.0075525500000000, 0.0023567700000000, 0.0008306900000000 ] - [ -0.0007996400000000, -0.0011961700000000, 0.0003300100000000 ] - [ 0.0012623800000000, -0.0055912100000000, -0.0066251100000000 ] - [ 0.0005039200000000, -0.0007410700000000, -0.0009474200000000 ] - [ 0.0106694400000000, 0.0053293800000000, -0.0064829600000000 ] - [ 0.0015296400000000, 0.0012900100000000, -0.0007493700000000 ] - [ -0.0018675700000000, -0.0008597700000000, 0.0027218900000000 ] - [ -0.0006556100000000, -0.0016106900000000, 0.0005423300000000 ] - [ -0.0075525500000000, -0.0023567700000000, 0.0008306900000000 ] - [ -0.0007996400000000, 0.0011961700000000, 0.0003300100000000 ] - [ 0.0012623800000000, 0.0055912100000000, -0.0066251100000000 ] - [ 0.0005039200000000, 0.0007410700000000, -0.0009474200000000 ] - [ 0.0288071200000000, 0.0000000000000000, 0.0105300800000000 ] - [ -0.0010588300000000, 0.0000000000000000, -0.0008173600000000 ] - [ -0.0028591200000000, 0.0000000000000000, -0.0007529600000000 ] - [ -0.0012405800000000, 0.0000000000000000, -0.0000422000000000 ] - [ -0.0019103400000000, 0.0019558300000000, 0.0008484100000000 ] - [ -0.0019103400000000, -0.0019558300000000, 0.0008484100000000 ] - [ 0.0026694600000000, -0.0009341300000000, 0.0019939500000000 ] - [ 0.0026694600000000, 0.0009341300000000, 0.0019939500000000 ] - [ 0.0106694400000000, -0.0053293800000000, -0.0064829600000000 ] - [ 0.0015296400000000, -0.0012900100000000, -0.0007493700000000 ] - [ -0.0018675700000000, 0.0008597700000000, 0.0027218900000000 ] - [ -0.0006556100000000, 0.0016106900000000, 0.0005423300000000 ] - [ 0.0108291300000000, -0.0074314100000000, -0.0062384700000000 ] - [ 0.0016773400000000, -0.0035144100000000, -0.0006244000000000 ] - [ -0.0017035400000000, -0.0013608100000000, 0.0028496400000000 ] - [ -0.0005096700000000, -0.0005938800000000, 0.0006722400000000 ] - [ -0.0077167100000000, -0.0045693100000000, 0.0007313000000000 ] - [ -0.0009427500000000, -0.0010126100000000, 0.0002021700000000 ] - [ 0.0010995500000000, 0.0033776400000000, -0.0067688900000000 ] - [ 0.0003602200000000, -0.0014672200000000, -0.0010815100000000 ] - [ 0.0108291300000000, 0.0074314100000000, -0.0062384700000000 ] - [ 0.0016773400000000, 0.0035144100000000, -0.0006244000000000 ] - [ -0.0017035400000000, 0.0013608100000000, 0.0028496400000000 ] - [ -0.0005096700000000, 0.0005938800000000, 0.0006722400000000 ] - [ -0.0040160400000000, -0.0019421800000000, 0.0000518800000000 ] - [ -0.0040160400000000, 0.0019421800000000, 0.0000518800000000 ] - [ 0.0005740300000000, 0.0009273400000000, 0.0011970300000000 ] - [ 0.0005740300000000, -0.0009273400000000, 0.0011970300000000 ] - [ 0.0284950700000000, 0.0000000000000000, 0.0099962400000000 ] - [ 0.0010240800000000, 0.0000000000000000, -0.0000418200000000 ] - [ -0.0007864500000000, 0.0000000000000000, -0.0000026900000000 ] - [ 0.0008451900000000, 0.0000000000000000, 0.0007326200000000 ] - [ -0.0077167100000000, 0.0045693100000000, 0.0007313000000000 ] - [ -0.0009427500000000, 0.0010126100000000, 0.0002021700000000 ] - [ 0.0010995500000000, -0.0033776400000000, -0.0067688900000000 ] - [ 0.0003602200000000, 0.0014672200000000, -0.0010815100000000 ] - [ -0.0019734600000000, 0.0105371900000000, 0.0047590700000000 ] - [ -0.0019734600000000, -0.0105371900000000, 0.0047590700000000 ] - [ 0.0011551600000000, -0.0007228100000000, 0.0002124300000000 ] - [ 0.0011551600000000, 0.0007228100000000, 0.0002124300000000 ] - [ 0.0194633900000000, 0.0000000000000000, -0.0111366600000000 ] - [ 0.0013703500000000, 0.0000000000000000, -0.0006042200000000 ] - [ -0.0058497400000000, 0.0000000000000000, 0.0007464100000000 ] - [ -0.0000455500000000, 0.0000000000000000, -0.0006243200000000 ] - [ 0.0184217500000000, 0.0000000000000000, -0.0103790000000000 ] - [ 0.0001188100000000, 0.0000000000000000, 0.0003131100000000 ] - [ -0.0071178000000000, 0.0000000000000000, 0.0016079400000000 ] - [ -0.0012974100000000, 0.0000000000000000, 0.0002881700000000 ] - [ -0.0007757600000000, -0.0105892000000000, 0.0038489200000000 ] - [ -0.0007757600000000, 0.0105892000000000, 0.0038489200000000 ] - [ 0.0024028900000000, 0.0007180300000000, -0.0007121900000000 ] - [ 0.0024028900000000, -0.0007180300000000, -0.0007121900000000 ] - [ -0.1511327800000000, 0.0000000000000000, 0.0016053600000000 ] - [ -0.0026596300000000, 0.0000000000000000, 0.0022773500000000 ] - [ 0.0036524100000000, 0.0000000000000000, -0.0038846600000000 ] - [ 0.0010434600000000, 0.0000000000000000, -0.0012342400000000 ] - [ 0.0058928600000000, -0.0000130300000000, -0.0024369400000000 ] - [ 0.0058928600000000, 0.0000130300000000, -0.0024369400000000 ] - [ -0.0045320100000000, -0.0000042900000000, 0.0038098100000000 ] - [ -0.0045320100000000, 0.0000042900000000, 0.0038098100000000 ] - [ 0.0212998300000000, 0.0000000000000000, 0.0184938800000000 ] - [ 0.0006767800000000, 0.0000000000000000, 0.0000966800000000 ] - [ 0.0214808100000000, 0.0000000000000000, 0.0186792400000000 ] - [ 0.0006781700000000, 0.0000000000000000, 0.0001005300000000 ] - [ 0.0038056600000000, -0.0074088700000000, -0.0054422800000000 ] - [ 0.0038056600000000, 0.0074088700000000, -0.0054422800000000 ] - [ 0.0038592800000000, 0.0074420800000000, -0.0054659600000000 ] - [ 0.0038592800000000, -0.0074420800000000, -0.0054659600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001465000000000, 0.0010761700000000, 0.0006463100000000 ] - [ -0.0001185600000000, -0.0031950600000000, -0.0005094800000000 ] - [ -0.0010206300000000, 0.0013732500000000, -0.0003582000000000 ] - [ 0.0006597800000000, -0.0036714200000000, 0.0005708200000000 ] - [ 0.0065289200000000, 0.0219960400000000, -0.0129188800000000 ] - [ -0.0007402500000000, -0.0088533400000000, 0.0004831300000000 ] - [ 0.0039578000000000, 0.0021403800000000, -0.0043238800000000 ] - [ -0.0007781600000000, -0.0031751900000000, 0.0009186000000000 ] - [ 0.0000079300000000, 0.0032996000000000, -0.0005179100000000 ] - [ 0.0002545400000000, -0.0009939700000000, 0.0006409800000000 ] - [ 0.0011707400000000, 0.0036027100000000, 0.0004749000000000 ] - [ -0.0005131000000000, -0.0014666200000000, -0.0004230000000000 ] - [ -0.0011440900000000, 0.0086558900000000, -0.0004506500000000 ] - [ -0.0010442800000000, -0.0031893800000000, -0.0003891600000000 ] - [ -0.0010383300000000, 0.0017464300000000, -0.0003871700000000 ] - [ -0.0010408000000000, -0.0015203800000000, -0.0003880600000000 ] - [ 0.0058421800000000, -0.0021617200000000, 0.0004633100000000 ] - [ -0.0037641000000000, -0.0021584400000000, 0.0003367200000000 ] - [ 0.0022309000000000, -0.0017718200000000, 0.0043713100000000 ] - [ -0.0001275300000000, -0.0017622000000000, -0.0035817200000000 ] - [ -0.0061294200000000, 0.0231342800000000, 0.0117048200000000 ] - [ 0.0005780600000000, -0.0066490700000000, -0.0005887000000000 ] - [ -0.0041123200000000, 0.0043552300000000, 0.0042030700000000 ] - [ 0.0006405100000000, -0.0009704700000000, -0.0010558600000000 ] - [ -0.0065289200000000, 0.0219960400000000, 0.0129188800000000 ] - [ 0.0007402500000000, -0.0088533400000000, -0.0004831300000000 ] - [ -0.0039578000000000, 0.0021403800000000, 0.0043238800000000 ] - [ 0.0007781600000000, -0.0031751900000000, -0.0009186000000000 ] - [ -0.0001465000000000, 0.0010761700000000, -0.0006463100000000 ] - [ 0.0001185600000000, -0.0031950600000000, 0.0005094800000000 ] - [ 0.0010206300000000, 0.0013732500000000, 0.0003582000000000 ] - [ -0.0006597800000000, -0.0036714200000000, -0.0005708200000000 ] - [ 0.0061294200000000, 0.0231342800000000, -0.0117048200000000 ] - [ -0.0005780600000000, -0.0066490700000000, 0.0005887000000000 ] - [ 0.0041123200000000, 0.0043552300000000, -0.0042030700000000 ] - [ -0.0006405100000000, -0.0009704700000000, 0.0010558600000000 ] - [ -0.0058421800000000, -0.0021617200000000, -0.0004633100000000 ] - [ 0.0037641000000000, -0.0021584400000000, -0.0003367200000000 ] - [ -0.0022309000000000, -0.0017718200000000, -0.0043713100000000 ] - [ 0.0001275300000000, -0.0017622000000000, 0.0035817200000000 ] - [ 0.0011440900000000, 0.0086558900000000, 0.0004506500000000 ] - [ 0.0010442800000000, -0.0031893800000000, 0.0003891600000000 ] - [ 0.0010383300000000, 0.0017464300000000, 0.0003871700000000 ] - [ 0.0010408000000000, -0.0015203800000000, 0.0003880600000000 ] - [ -0.0000079300000000, 0.0032996000000000, 0.0005179100000000 ] - [ -0.0002545400000000, -0.0009939700000000, -0.0006409800000000 ] - [ -0.0011707400000000, 0.0036027100000000, -0.0004749000000000 ] - [ 0.0005131000000000, -0.0014666200000000, 0.0004230000000000 ] - [ 0.0101012000000000, 0.0114674800000000, 0.0075718500000000 ] - [ -0.0114700600000000, 0.0115614600000000, -0.0067359800000000 ] - [ -0.0001558200000000, 0.0003815500000000, 0.0010109700000000 ] - [ -0.0010929600000000, 0.0003726200000000, -0.0000930500000000 ] - [ 0.0006396000000000, -0.0077127400000000, -0.0004773900000000 ] - [ 0.0006214400000000, 0.0035776100000000, -0.0004574900000000 ] - [ 0.0006164600000000, -0.0093890100000000, -0.0004377500000000 ] - [ 0.0006259600000000, 0.0037253100000000, -0.0004603800000000 ] - [ -0.0006396000000000, -0.0077127400000000, 0.0004773900000000 ] - [ -0.0006214400000000, 0.0035776100000000, 0.0004574900000000 ] - [ -0.0006164600000000, -0.0093890100000000, 0.0004377500000000 ] - [ -0.0006259600000000, 0.0037253100000000, 0.0004603800000000 ] - [ -0.0101012000000000, 0.0114674800000000, -0.0075718500000000 ] - [ 0.0114700600000000, 0.0115614600000000, 0.0067359800000000 ] - [ 0.0001558200000000, 0.0003815500000000, -0.0010109700000000 ] - [ 0.0010929600000000, 0.0003726200000000, 0.0000930500000000 ] - [ 0.0000000000000000, -0.1549933400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0108331200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0085943000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0042420900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001529500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001746900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001046500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001248200000000, 0.0000000000000000 ] - [ 0.0000351700000000, -0.0043059600000000, 0.0000314700000000 ] - [ -0.0000065600000000, 0.0051163000000000, -0.0000015900000000 ] - [ -0.0000351700000000, -0.0043059600000000, -0.0000314700000000 ] - [ 0.0000065600000000, 0.0051163000000000, 0.0000015900000000 ] - [ -0.0103061300000000, 0.0149302500000000, 0.0120400400000000 ] - [ 0.0103642000000000, 0.0149689600000000, -0.0121352200000000 ] - [ 0.0103061300000000, 0.0149302500000000, -0.0120400400000000 ] - [ -0.0103642000000000, 0.0149689600000000, 0.0121352200000000 ]- atom: 65 displacement: [ -0.0057792543905384, 0.0000000000000000, 0.0081608957038699 ] forces: - [ 0.0027815900000000, -0.0013823600000000, 0.0002777500000000 ] - [ 0.0005509900000000, -0.0011983700000000, 0.0002448900000000 ] - [ -0.0023446000000000, -0.0002051000000000, 0.0003679100000000 ] - [ -0.0006793800000000, -0.0011881200000000, -0.0001947200000000 ] - [ -0.0104544000000000, -0.0138383900000000, 0.0184882500000000 ] - [ -0.0017553700000000, -0.0067694200000000, 0.0019641700000000 ] - [ 0.0045111800000000, -0.0006948600000000, -0.0053957800000000 ] - [ 0.0008391900000000, -0.0002807400000000, -0.0011388200000000 ] - [ 0.0027815900000000, 0.0013823600000000, 0.0002777500000000 ] - [ 0.0005509900000000, 0.0011983700000000, 0.0002448900000000 ] - [ -0.0023446000000000, 0.0002051000000000, 0.0003679100000000 ] - [ -0.0006793800000000, 0.0011881200000000, -0.0001947200000000 ] - [ -0.0079550800000000, 0.0000000000000000, 0.0048163300000000 ] - [ -0.0013259200000000, 0.0000000000000000, 0.0006496400000000 ] - [ 0.0003825100000000, 0.0000000000000000, -0.0030301200000000 ] - [ -0.0007986700000000, 0.0000000000000000, -0.0011922700000000 ] - [ 0.0067708400000000, -0.0028463600000000, 0.0030884300000000 ] - [ 0.0067708400000000, 0.0028463600000000, 0.0030884300000000 ] - [ -0.0014682700000000, 0.0024758000000000, -0.0046659600000000 ] - [ -0.0014682700000000, -0.0024758000000000, -0.0046659600000000 ] - [ -0.0104544000000000, 0.0138383900000000, 0.0184882500000000 ] - [ -0.0017553700000000, 0.0067694200000000, 0.0019641700000000 ] - [ 0.0045111800000000, 0.0006948600000000, -0.0053957800000000 ] - [ 0.0008391900000000, 0.0002807400000000, -0.0011388200000000 ] - [ -0.0108083200000000, 0.0128273400000000, 0.0196536000000000 ] - [ -0.0016034800000000, 0.0045463000000000, 0.0020789900000000 ] - [ 0.0046565100000000, -0.0015428700000000, -0.0052655800000000 ] - [ 0.0009794800000000, -0.0019164800000000, -0.0010068800000000 ] - [ 0.0026118000000000, -0.0008238800000000, 0.0001553300000000 ] - [ 0.0004078100000000, -0.0010089500000000, 0.0001159400000000 ] - [ -0.0024960600000000, -0.0020097900000000, 0.0002639100000000 ] - [ -0.0008203600000000, -0.0010169700000000, -0.0003251800000000 ] - [ -0.0108083200000000, -0.0128273400000000, 0.0196536000000000 ] - [ -0.0016034800000000, -0.0045463000000000, 0.0020789900000000 ] - [ 0.0046565100000000, 0.0015428700000000, -0.0052655800000000 ] - [ 0.0009794800000000, 0.0019164800000000, -0.0010068800000000 ] - [ 0.0046749700000000, 0.0028621500000000, 0.0022972700000000 ] - [ 0.0046749700000000, -0.0028621500000000, 0.0022972700000000 ] - [ -0.0035692700000000, -0.0024676500000000, -0.0054637800000000 ] - [ -0.0035692700000000, 0.0024676500000000, -0.0054637800000000 ] - [ -0.0057277400000000, 0.0000000000000000, 0.0056504600000000 ] - [ 0.0007549300000000, 0.0000000000000000, 0.0014250200000000 ] - [ 0.0024600600000000, 0.0000000000000000, -0.0022425300000000 ] - [ 0.0012884700000000, 0.0000000000000000, -0.0004170200000000 ] - [ 0.0026118000000000, 0.0008238800000000, 0.0001553300000000 ] - [ 0.0004078100000000, 0.0010089500000000, 0.0001159400000000 ] - [ -0.0024960600000000, 0.0020097900000000, 0.0002639100000000 ] - [ -0.0008203600000000, 0.0010169700000000, -0.0003251800000000 ] - [ 0.0046442700000000, -0.0001462700000000, -0.0054928200000000 ] - [ 0.0046442700000000, 0.0001462700000000, -0.0054928200000000 ] - [ -0.0023764900000000, -0.0000040200000000, 0.0025021500000000 ] - [ -0.0023764900000000, 0.0000040200000000, 0.0025021500000000 ] - [ -0.0169099000000000, 0.0000000000000000, 0.0023490900000000 ] - [ -0.0005080100000000, 0.0000000000000000, -0.0009046700000000 ] - [ 0.0051685600000000, 0.0000000000000000, 0.0173124400000000 ] - [ 0.0014995900000000, 0.0000000000000000, 0.0008376700000000 ] - [ -0.0179870400000000, 0.0000000000000000, 0.0032577400000000 ] - [ -0.0017584000000000, 0.0000000000000000, 0.0000158100000000 ] - [ 0.0039832300000000, 0.0000000000000000, 0.0184225900000000 ] - [ 0.0002519600000000, 0.0000000000000000, 0.0017510200000000 ] - [ 0.0058839200000000, 0.0001871700000000, -0.0064218200000000 ] - [ 0.0058839200000000, -0.0001871700000000, -0.0064218200000000 ] - [ -0.0011221400000000, -0.0000007800000000, 0.0015854400000000 ] - [ -0.0011221400000000, 0.0000007800000000, 0.0015854400000000 ] - [ 0.0884814600000000, 0.0000000000000000, -0.1286838900000000 ] - [ 0.0033875300000000, 0.0000000000000000, -0.0072403100000000 ] - [ -0.0052681500000000, 0.0000000000000000, 0.0082801000000000 ] - [ -0.0016057500000000, 0.0000000000000000, 0.0028106400000000 ] - [ -0.0053973500000000, -0.0000018200000000, -0.0025674600000000 ] - [ -0.0053973500000000, 0.0000018200000000, -0.0025674600000000 ] - [ 0.0057328100000000, -0.0000017100000000, 0.0027829200000000 ] - [ 0.0057328100000000, 0.0000017100000000, 0.0027829200000000 ] - [ -0.0029727700000000, 0.0000000000000000, -0.0027066800000000 ] - [ 0.0000437300000000, 0.0000000000000000, 0.0003659500000000 ] - [ -0.0030554300000000, 0.0000000000000000, -0.0027617000000000 ] - [ 0.0000380000000000, 0.0000000000000000, 0.0003660600000000 ] - [ -0.0105290300000000, 0.0160502700000000, 0.0112268700000000 ] - [ -0.0105290300000000, -0.0160502700000000, 0.0112268700000000 ] - [ -0.0105544700000000, -0.0161635800000000, 0.0112793100000000 ] - [ -0.0105544700000000, 0.0161635800000000, 0.0112793100000000 ]- atom: 73 displacement: [ 0.0099999905219115, 0.0000000000000000, -0.0000137681400743 ] forces: - [ -0.0015065600000000, -0.0001197900000000, 0.0038135400000000 ] - [ -0.0015541000000000, 0.0010296000000000, 0.0024576600000000 ] - [ 0.0372034800000000, -0.0254485700000000, -0.0170471100000000 ] - [ 0.0019108300000000, -0.0044298200000000, -0.0006224600000000 ] - [ -0.0063225800000000, -0.0046246800000000, 0.0008992400000000 ] - [ -0.0014816500000000, -0.0005052500000000, -0.0001022800000000 ] - [ -0.0003022800000000, 0.0016091000000000, -0.0045263700000000 ] - [ 0.0002466200000000, -0.0015521800000000, -0.0006354900000000 ] - [ -0.0015065600000000, 0.0001197900000000, 0.0038135400000000 ] - [ -0.0015541000000000, -0.0010296000000000, 0.0024576600000000 ] - [ 0.0372034800000000, 0.0254485700000000, -0.0170471100000000 ] - [ 0.0019108300000000, 0.0044298200000000, -0.0006224600000000 ] - [ -0.0057174800000000, 0.0000000000000000, 0.0000549800000000 ] - [ -0.0018355800000000, 0.0000000000000000, 0.0002441700000000 ] - [ 0.0478467100000000, 0.0000000000000000, 0.0314492100000000 ] - [ 0.0002688500000000, 0.0000000000000000, -0.0008664500000000 ] - [ -0.0029400300000000, -0.0013967800000000, 0.0004317000000000 ] - [ -0.0029400300000000, 0.0013967800000000, 0.0004317000000000 ] - [ 0.0047930900000000, 0.0003576900000000, 0.0009497500000000 ] - [ 0.0047930900000000, -0.0003576900000000, 0.0009497500000000 ] - [ -0.0063225800000000, 0.0046246800000000, 0.0008992400000000 ] - [ -0.0014816500000000, 0.0005052500000000, -0.0001022800000000 ] - [ -0.0003022800000000, -0.0016091000000000, -0.0045263700000000 ] - [ 0.0002466200000000, 0.0015521800000000, -0.0006354900000000 ] - [ -0.0001521600000000, -0.0038207600000000, -0.0044064900000000 ] - [ 0.0003932200000000, -0.0006555100000000, -0.0005102400000000 ] - [ -0.0061528000000000, 0.0023907600000000, 0.0010430300000000 ] - [ -0.0013357900000000, -0.0016952900000000, 0.0000283000000000 ] - [ 0.0365715500000000, 0.0221712900000000, -0.0164137400000000 ] - [ 0.0017657600000000, 0.0022228200000000, -0.0007550600000000 ] - [ -0.0016514600000000, -0.0020845700000000, 0.0036899300000000 ] - [ -0.0017003200000000, -0.0032437600000000, 0.0023327700000000 ] - [ -0.0001521600000000, 0.0038207600000000, -0.0044064900000000 ] - [ 0.0003932200000000, 0.0006555100000000, -0.0005102400000000 ] - [ -0.0061528000000000, -0.0023907600000000, 0.0010430300000000 ] - [ -0.0013357900000000, 0.0016952900000000, 0.0000283000000000 ] - [ 0.0027105000000000, -0.0003551600000000, 0.0001664200000000 ] - [ 0.0027105000000000, 0.0003551600000000, 0.0001664200000000 ] - [ -0.0050189200000000, 0.0014117100000000, -0.0003405700000000 ] - [ -0.0050189200000000, -0.0014117100000000, -0.0003405700000000 ] - [ 0.0518339500000000, 0.0000000000000000, 0.0345786200000000 ] - [ 0.0023610200000000, 0.0000000000000000, -0.0000849900000000 ] - [ -0.0036409500000000, 0.0000000000000000, 0.0008627400000000 ] - [ 0.0002748000000000, 0.0000000000000000, 0.0010490700000000 ] - [ 0.0365715500000000, -0.0221712900000000, -0.0164137400000000 ] - [ 0.0017657600000000, -0.0022228200000000, -0.0007550600000000 ] - [ -0.0016514600000000, 0.0020845700000000, 0.0036899300000000 ] - [ -0.0017003200000000, 0.0032437600000000, 0.0023327700000000 ] - [ -0.0015205200000000, -0.0126089400000000, 0.0066449200000000 ] - [ -0.0015205200000000, 0.0126089400000000, 0.0066449200000000 ] - [ 0.0008399700000000, 0.0002721000000000, -0.0001183700000000 ] - [ 0.0008399700000000, -0.0002721000000000, -0.0001183700000000 ] - [ -0.0084601300000000, 0.0000000000000000, 0.0011241000000000 ] - [ -0.0003757800000000, 0.0000000000000000, -0.0003903500000000 ] - [ 0.0244023200000000, 0.0000000000000000, -0.0101297800000000 ] - [ 0.0018696100000000, 0.0000000000000000, -0.0007235000000000 ] - [ 0.0229033800000000, 0.0000000000000000, -0.0090590300000000 ] - [ 0.0006234800000000, 0.0000000000000000, 0.0002054700000000 ] - [ -0.0097164300000000, 0.0000000000000000, 0.0020931400000000 ] - [ -0.0016180200000000, 0.0000000000000000, 0.0005295700000000 ] - [ 0.0020922400000000, -0.0002815400000000, -0.0010288600000000 ] - [ 0.0020922400000000, 0.0002815400000000, -0.0010288600000000 ] - [ -0.0002418900000000, 0.0125512000000000, 0.0057086900000000 ] - [ -0.0002418900000000, -0.0125512000000000, 0.0057086900000000 ] - [ 0.0213995500000000, 0.0000000000000000, 0.0114920400000000 ] - [ 0.0006814800000000, 0.0000000000000000, 0.0005353900000000 ] - [ 0.0213607000000000, 0.0000000000000000, 0.0114103300000000 ] - [ 0.0006749200000000, 0.0000000000000000, 0.0005249700000000 ] - [ 0.0038329900000000, 0.0103457800000000, -0.0102215300000000 ] - [ 0.0038329900000000, -0.0103457800000000, -0.0102215300000000 ] - [ 0.0038224500000000, -0.0103574800000000, -0.0102310400000000 ] - [ 0.0038224500000000, 0.0103574800000000, -0.0102310400000000 ] - [ -0.3004571100000000, 0.0000000000000000, 0.0030309800000000 ] - [ -0.0067859100000000, 0.0000000000000000, 0.0029686400000000 ] - [ 0.0038450000000000, 0.0000000000000000, -0.0040556600000000 ] - [ 0.0034900400000000, 0.0000000000000000, -0.0021944600000000 ] - [ 0.0077386300000000, -0.0000217600000000, -0.0013522400000000 ] - [ 0.0077386300000000, 0.0000217600000000, -0.0013522400000000 ] - [ -0.0046544800000000, -0.0000031500000000, 0.0028212700000000 ] - [ -0.0046544800000000, 0.0000031500000000, 0.0028212700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018422500000000, 0.0019247300000000, 0.0038701500000000 ] - [ 0.0016227600000000, -0.0052975700000000, -0.0024829400000000 ] - [ -0.0231827600000000, 0.0503108600000000, 0.0213968900000000 ] - [ 0.0003221900000000, -0.0081123000000000, -0.0005351800000000 ] - [ -0.0011769800000000, 0.0015363900000000, -0.0010184000000000 ] - [ 0.0006848800000000, -0.0038789200000000, 0.0005342500000000 ] - [ 0.0004761800000000, 0.0015265700000000, -0.0005821500000000 ] - [ -0.0009787500000000, -0.0034841400000000, 0.0003238600000000 ] - [ 0.0019926700000000, 0.0041401500000000, -0.0037501000000000 ] - [ -0.0014736100000000, -0.0030883800000000, 0.0026043500000000 ] - [ 0.0250088900000000, 0.0543920000000000, -0.0228889400000000 ] - [ -0.0001898900000000, -0.0058907100000000, 0.0006828800000000 ] - [ -0.0010317700000000, 0.0019797600000000, -0.0003817900000000 ] - [ -0.0010542300000000, -0.0018605600000000, -0.0004021600000000 ] - [ -0.0008937200000000, 0.0201524700000000, -0.0002369400000000 ] - [ -0.0010389300000000, -0.0037866100000000, -0.0003855100000000 ] - [ -0.0033435100000000, -0.0013975400000000, 0.0000515200000000 ] - [ 0.0054272700000000, -0.0013911500000000, 0.0007197300000000 ] - [ -0.0015060400000000, -0.0010854100000000, -0.0044866500000000 ] - [ 0.0035863100000000, -0.0010868500000000, 0.0052899800000000 ] - [ 0.0010327600000000, 0.0037200700000000, 0.0008791800000000 ] - [ -0.0008429700000000, -0.0016761600000000, -0.0006652200000000 ] - [ -0.0006192700000000, 0.0037110300000000, 0.0004436800000000 ] - [ 0.0008386300000000, -0.0012769300000000, -0.0004494600000000 ] - [ -0.0004761800000000, 0.0015265700000000, 0.0005821500000000 ] - [ 0.0009787500000000, -0.0034841400000000, -0.0003238600000000 ] - [ 0.0011769800000000, 0.0015363900000000, 0.0010184000000000 ] - [ -0.0006848800000000, -0.0038789200000000, -0.0005342500000000 ] - [ 0.0231827600000000, 0.0503108600000000, -0.0213968900000000 ] - [ -0.0003221900000000, -0.0081123000000000, 0.0005351800000000 ] - [ 0.0018422500000000, 0.0019247300000000, -0.0038701500000000 ] - [ -0.0016227600000000, -0.0052975700000000, 0.0024829400000000 ] - [ 0.0006192700000000, 0.0037110300000000, -0.0004436800000000 ] - [ -0.0008386300000000, -0.0012769300000000, 0.0004494600000000 ] - [ -0.0010327600000000, 0.0037200700000000, -0.0008791800000000 ] - [ 0.0008429700000000, -0.0016761600000000, 0.0006652200000000 ] - [ 0.0015060400000000, -0.0010854100000000, 0.0044866500000000 ] - [ -0.0035863100000000, -0.0010868500000000, -0.0052899800000000 ] - [ 0.0033435100000000, -0.0013975400000000, -0.0000515200000000 ] - [ -0.0054272700000000, -0.0013911500000000, -0.0007197300000000 ] - [ 0.0008937200000000, 0.0201524700000000, 0.0002369400000000 ] - [ 0.0010389300000000, -0.0037866100000000, 0.0003855100000000 ] - [ 0.0010317700000000, 0.0019797600000000, 0.0003817900000000 ] - [ 0.0010542300000000, -0.0018605600000000, 0.0004021600000000 ] - [ -0.0250088900000000, 0.0543920000000000, 0.0228889400000000 ] - [ 0.0001898900000000, -0.0058907100000000, -0.0006828800000000 ] - [ -0.0019926700000000, 0.0041401500000000, 0.0037501000000000 ] - [ 0.0014736100000000, -0.0030883800000000, -0.0026043500000000 ] - [ -0.0125235300000000, 0.0139930500000000, -0.0091049800000000 ] - [ 0.0114195100000000, 0.0141171900000000, 0.0101160100000000 ] - [ -0.0007932600000000, 0.0001181600000000, 0.0005291500000000 ] - [ -0.0004593000000000, 0.0001152600000000, 0.0003842500000000 ] - [ 0.0006313400000000, -0.0085396800000000, -0.0004770600000000 ] - [ 0.0006197500000000, 0.0033475600000000, -0.0004542200000000 ] - [ 0.0005987200000000, -0.0118278300000000, -0.0004475900000000 ] - [ 0.0006275300000000, 0.0035531500000000, -0.0004644700000000 ] - [ -0.0005987200000000, -0.0118278300000000, 0.0004475900000000 ] - [ -0.0006275300000000, 0.0035531500000000, 0.0004644700000000 ] - [ -0.0006313400000000, -0.0085396800000000, 0.0004770600000000 ] - [ -0.0006197500000000, 0.0033475600000000, 0.0004542200000000 ] - [ 0.0007932600000000, 0.0001181600000000, -0.0005291500000000 ] - [ 0.0004593000000000, 0.0001152600000000, -0.0003842500000000 ] - [ 0.0125235300000000, 0.0139930500000000, 0.0091049800000000 ] - [ -0.0114195100000000, 0.0141171900000000, -0.0101160100000000 ] - [ -0.0000272600000000, -0.0043070900000000, -0.0000104000000000 ] - [ 0.0000083200000000, 0.0051180800000000, 0.0000065500000000 ] - [ 0.0000272600000000, -0.0043070900000000, 0.0000104000000000 ] - [ -0.0000083200000000, 0.0051180800000000, -0.0000065500000000 ] - [ 0.0073837500000000, 0.0149369600000000, -0.0144589100000000 ] - [ -0.0074285600000000, 0.0149668900000000, 0.0145276900000000 ] - [ -0.0073837500000000, 0.0149369600000000, 0.0144589100000000 ] - [ 0.0074285600000000, 0.0149668900000000, -0.0145276900000000 ] - [ 0.0000000000000000, -0.2981327300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0117029100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0089792200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0062964000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000924600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001165200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009994100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010239600000000, 0.0000000000000000 ]- atom: 73 displacement: [ -0.0057792543905384, 0.0000000000000000, 0.0081608957038699 ] forces: - [ 0.0032472100000000, -0.0015630100000000, -0.0055331000000000 ] - [ 0.0020952900000000, -0.0038230100000000, -0.0030845800000000 ] - [ -0.0345884700000000, 0.0297952200000000, 0.0375718400000000 ] - [ -0.0014262800000000, 0.0032381600000000, 0.0023582900000000 ] - [ 0.0016744200000000, -0.0014444400000000, 0.0025655200000000 ] - [ 0.0006714100000000, -0.0009156500000000, 0.0005563900000000 ] - [ -0.0013368700000000, -0.0012032400000000, -0.0023656000000000 ] - [ -0.0006744900000000, -0.0009960000000000, -0.0004146700000000 ] - [ 0.0032472100000000, 0.0015630100000000, -0.0055331000000000 ] - [ 0.0020952900000000, 0.0038230100000000, -0.0030845800000000 ] - [ -0.0345884700000000, -0.0297952200000000, 0.0375718400000000 ] - [ -0.0014262800000000, -0.0032381600000000, 0.0023582900000000 ] - [ -0.0004169500000000, 0.0000000000000000, -0.0042891000000000 ] - [ -0.0004544700000000, 0.0000000000000000, -0.0014327000000000 ] - [ -0.0036444600000000, 0.0000000000000000, 0.0241333400000000 ] - [ -0.0020024800000000, 0.0000000000000000, 0.0004222500000000 ] - [ 0.0060092300000000, 0.0022689700000000, 0.0011366300000000 ] - [ 0.0060092300000000, -0.0022689700000000, 0.0011366300000000 ] - [ -0.0031247400000000, -0.0020787100000000, -0.0027056600000000 ] - [ -0.0031247400000000, 0.0020787100000000, -0.0027056600000000 ] - [ 0.0016744200000000, 0.0014444400000000, 0.0025655200000000 ] - [ 0.0006714100000000, 0.0009156500000000, 0.0005563900000000 ] - [ -0.0013368700000000, 0.0012032400000000, -0.0023656000000000 ] - [ -0.0006744900000000, 0.0009960000000000, -0.0004146700000000 ] - [ -0.0011856400000000, -0.0010100400000000, -0.0022159500000000 ] - [ -0.0005282200000000, -0.0012104000000000, -0.0002860100000000 ] - [ 0.0018112500000000, -0.0007688700000000, 0.0027078700000000 ] - [ 0.0008162900000000, -0.0012904200000000, 0.0006851600000000 ] - [ -0.0361647000000000, -0.0342897500000000, 0.0387262600000000 ] - [ -0.0015723800000000, -0.0054569500000000, 0.0022330000000000 ] - [ 0.0030867200000000, -0.0006345400000000, -0.0056413700000000 ] - [ 0.0019459700000000, 0.0016025700000000, -0.0032061300000000 ] - [ -0.0011856400000000, 0.0010100400000000, -0.0022159500000000 ] - [ -0.0005282200000000, 0.0012104000000000, -0.0002860100000000 ] - [ 0.0018112500000000, 0.0007688700000000, 0.0027078700000000 ] - [ 0.0008162900000000, 0.0012904200000000, 0.0006851600000000 ] - [ -0.0052178800000000, 0.0020951100000000, -0.0034955600000000 ] - [ -0.0052178800000000, -0.0020951100000000, -0.0034955600000000 ] - [ 0.0039201100000000, -0.0022589500000000, 0.0003535400000000 ] - [ 0.0039201100000000, 0.0022589500000000, 0.0003535400000000 ] - [ -0.0016208300000000, 0.0000000000000000, 0.0247011900000000 ] - [ 0.0000861500000000, 0.0000000000000000, 0.0012033200000000 ] - [ 0.0016470500000000, 0.0000000000000000, -0.0035112700000000 ] - [ 0.0016557100000000, 0.0000000000000000, -0.0006296900000000 ] - [ -0.0361647000000000, 0.0342897500000000, 0.0387262600000000 ] - [ -0.0015723800000000, 0.0054569500000000, 0.0022330000000000 ] - [ 0.0030867200000000, 0.0006345400000000, -0.0056413700000000 ] - [ 0.0019459700000000, -0.0016025700000000, -0.0032061300000000 ] - [ 0.0039655700000000, 0.0000427800000000, -0.0081671000000000 ] - [ 0.0039655700000000, -0.0000427800000000, -0.0081671000000000 ] - [ -0.0018744900000000, 0.0001097300000000, 0.0023307700000000 ] - [ -0.0018744900000000, -0.0001097300000000, 0.0023307700000000 ] - [ 0.0044449000000000, 0.0000000000000000, 0.0196367300000000 ] - [ 0.0014934400000000, 0.0000000000000000, 0.0001710900000000 ] - [ -0.0215823100000000, 0.0000000000000000, 0.0015482500000000 ] - [ -0.0005341400000000, 0.0000000000000000, -0.0009182800000000 ] - [ -0.0230459000000000, 0.0000000000000000, 0.0024800500000000 ] - [ -0.0017837700000000, 0.0000000000000000, 0.0000076400000000 ] - [ 0.0031346900000000, 0.0000000000000000, 0.0203729600000000 ] - [ 0.0002500000000000, 0.0000000000000000, 0.0010919700000000 ] - [ -0.0006253500000000, -0.0001210700000000, 0.0014108500000000 ] - [ -0.0006253500000000, 0.0001210700000000, 0.0014108500000000 ] - [ 0.0052306600000000, 0.0000023100000000, -0.0090728600000000 ] - [ 0.0052306600000000, -0.0000023100000000, -0.0090728600000000 ] - [ 0.0027728200000000, 0.0000000000000000, 0.0013749200000000 ] - [ -0.0003069400000000, 0.0000000000000000, 0.0001173300000000 ] - [ 0.0028409100000000, 0.0000000000000000, 0.0014046200000000 ] - [ -0.0003134100000000, 0.0000000000000000, 0.0001157600000000 ] - [ -0.0066593100000000, -0.0158748100000000, 0.0140287700000000 ] - [ -0.0066593100000000, 0.0158748100000000, 0.0140287700000000 ] - [ -0.0066359700000000, 0.0158000200000000, 0.0139953000000000 ] - [ -0.0066359700000000, -0.0158000200000000, 0.0139953000000000 ] - [ 0.1758157200000000, 0.0000000000000000, -0.2422416900000000 ] - [ 0.0063363100000000, 0.0000000000000000, -0.0060727900000000 ] - [ -0.0055186500000000, 0.0000000000000000, 0.0095432100000000 ] - [ -0.0038028100000000, 0.0000000000000000, 0.0036624500000000 ] - [ -0.0055819400000000, -0.0000059300000000, -0.0045005800000000 ] - [ -0.0055819400000000, 0.0000059300000000, -0.0045005800000000 ] - [ 0.0049972900000000, -0.0000034900000000, 0.0035832200000000 ] - [ 0.0049972900000000, 0.0000034900000000, 0.0035832200000000 ]