# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/bd82b6a8-4521-40be-96e5-6cd5536a4bd6/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 Pr6IrCl11 / C2/m (12) / materials id 975605](https://mdr.nims.go.jp/datasets/1f8521da-85cf-40ef-b57d-8f1d84c3a1ab) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/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:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 5.184460995000000, -6.297463660000000, 0.026123980000000 ] # a - [ 5.184460995000000, 6.297463660000000, 0.026123980000000 ] # b - [ -0.547266940000000, 0.000000000000000, 7.251923900000000 ] # c points: - symbol: Pr # 1 coordinates: [ 0.707058740000000, 0.019496780000000, 0.230485090000000 ] mass: 140.907650 - symbol: Pr # 2 coordinates: [ 0.196048190000000, 0.196048190000000, 0.241438400000000 ] mass: 140.907650 - symbol: Pr # 3 coordinates: [ 0.980503220000000, 0.292941260000000, 0.769514910000000 ] mass: 140.907650 - symbol: Pr # 4 coordinates: [ 0.019496780000000, 0.707058740000000, 0.230485090000000 ] mass: 140.907650 - symbol: Pr # 5 coordinates: [ 0.803951810000000, 0.803951810000000, 0.758561600000000 ] mass: 140.907650 - symbol: Pr # 6 coordinates: [ 0.292941260000000, 0.980503220000000, 0.769514910000000 ] mass: 140.907650 - symbol: Ir # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 192.217000 - symbol: Cl # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 35.453000 - symbol: Cl # 9 coordinates: [ 0.658005420000000, 0.094560040000000, 0.635164290000000 ] mass: 35.453000 - symbol: Cl # 10 coordinates: [ 0.490340310000000, 0.203629710000000, 0.050811620000000 ] mass: 35.453000 - symbol: Cl # 11 coordinates: [ 0.304998080000000, 0.304998080000000, 0.633286990000000 ] mass: 35.453000 - symbol: Cl # 12 coordinates: [ 0.905439960000000, 0.341994580000000, 0.364835710000000 ] mass: 35.453000 - symbol: Cl # 13 coordinates: [ 0.203629710000000, 0.490340310000000, 0.050811620000000 ] mass: 35.453000 - symbol: Cl # 14 coordinates: [ 0.796370290000000, 0.509659690000000, 0.949188380000000 ] mass: 35.453000 - symbol: Cl # 15 coordinates: [ 0.094560040000000, 0.658005420000000, 0.635164290000000 ] mass: 35.453000 - symbol: Cl # 16 coordinates: [ 0.695001920000000, 0.695001920000000, 0.366713010000000 ] mass: 35.453000 - symbol: Cl # 17 coordinates: [ 0.509659690000000, 0.796370290000000, 0.949188380000000 ] mass: 35.453000 - symbol: Cl # 18 coordinates: [ 0.341994580000000, 0.905439960000000, 0.364835710000000 ] mass: 35.453000 reciprocal_lattice: # without 2pi - [ 0.096405381830139, -0.079397044110930, 0.007275238825067 ] # a* - [ 0.096405381830139, 0.079397044110930, 0.007275238825067 ] # b* - [ -0.000694572171896, 0.000000000000000, 0.137842026115701 ] # c*unit_cell: lattice: - [ 10.368921990000000, 0.000000000000000, 0.052247960000000 ] # a - [ 0.000000000000000, 12.594927320000000, 0.000000000000000 ] # b - [ -0.547266940000000, 0.000000000000000, 7.251923900000000 ] # c points: - symbol: Pr # 1 coordinates: [ 0.363277760000000, 0.656219020000000, 0.230485090000000 ] mass: 140.907650 reduced_to: 1 - symbol: Pr # 2 coordinates: [ 0.196048190000000, 0.000000000000000, 0.241438400000000 ] mass: 140.907650 reduced_to: 2 - symbol: Pr # 3 coordinates: [ 0.636722240000000, 0.656219020000000, 0.769514910000000 ] mass: 140.907650 reduced_to: 3 - symbol: Pr # 4 coordinates: [ 0.363277760000000, 0.343780980000000, 0.230485090000000 ] mass: 140.907650 reduced_to: 4 - symbol: Pr # 5 coordinates: [ 0.803951810000000, 0.000000000000000, 0.758561600000000 ] mass: 140.907650 reduced_to: 5 - symbol: Pr # 6 coordinates: [ 0.636722240000000, 0.343780980000000, 0.769514910000000 ] mass: 140.907650 reduced_to: 6 - symbol: Pr # 7 coordinates: [ 0.863277760000000, 0.156219020000000, 0.230485090000000 ] mass: 140.907650 reduced_to: 1 - symbol: Pr # 8 coordinates: [ 0.696048190000000, 0.500000000000000, 0.241438400000000 ] mass: 140.907650 reduced_to: 2 - symbol: Pr # 9 coordinates: [ 0.136722240000000, 0.156219020000000, 0.769514910000000 ] mass: 140.907650 reduced_to: 3 - symbol: Pr # 10 coordinates: [ 0.863277760000000, 0.843780980000000, 0.230485090000000 ] mass: 140.907650 reduced_to: 4 - symbol: Pr # 11 coordinates: [ 0.303951810000000, 0.500000000000000, 0.758561600000000 ] mass: 140.907650 reduced_to: 5 - symbol: Pr # 12 coordinates: [ 0.136722240000000, 0.843780980000000, 0.769514910000000 ] mass: 140.907650 reduced_to: 6 - symbol: Ir # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 192.217000 reduced_to: 13 - symbol: Ir # 14 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 192.217000 reduced_to: 13 - symbol: Cl # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 15 - symbol: Cl # 16 coordinates: [ 0.376282730000000, 0.718277310000000, 0.635164290000000 ] mass: 35.453000 reduced_to: 16 - symbol: Cl # 17 coordinates: [ 0.346985010000000, 0.856644700000000, 0.050811620000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 18 coordinates: [ 0.304998080000000, 0.000000000000000, 0.633286990000000 ] mass: 35.453000 reduced_to: 18 - symbol: Cl # 19 coordinates: [ 0.623717270000000, 0.718277310000000, 0.364835710000000 ] mass: 35.453000 reduced_to: 19 - symbol: Cl # 20 coordinates: [ 0.346985010000000, 0.143355300000000, 0.050811620000000 ] mass: 35.453000 reduced_to: 20 - symbol: Cl # 21 coordinates: [ 0.653014990000000, 0.856644700000000, 0.949188380000000 ] mass: 35.453000 reduced_to: 21 - symbol: Cl # 22 coordinates: [ 0.376282730000000, 0.281722690000000, 0.635164290000000 ] mass: 35.453000 reduced_to: 22 - symbol: Cl # 23 coordinates: [ 0.695001920000000, 0.000000000000000, 0.366713010000000 ] mass: 35.453000 reduced_to: 23 - symbol: Cl # 24 coordinates: [ 0.653014990000000, 0.143355300000000, 0.949188380000000 ] mass: 35.453000 reduced_to: 24 - symbol: Cl # 25 coordinates: [ 0.623717270000000, 0.281722690000000, 0.364835710000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 26 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 15 - symbol: Cl # 27 coordinates: [ 0.876282730000000, 0.218277310000000, 0.635164290000000 ] mass: 35.453000 reduced_to: 16 - symbol: Cl # 28 coordinates: [ 0.846985010000000, 0.356644700000000, 0.050811620000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 29 coordinates: [ 0.804998080000000, 0.500000000000000, 0.633286990000000 ] mass: 35.453000 reduced_to: 18 - symbol: Cl # 30 coordinates: [ 0.123717270000000, 0.218277310000000, 0.364835710000000 ] mass: 35.453000 reduced_to: 19 - symbol: Cl # 31 coordinates: [ 0.846985010000000, 0.643355300000000, 0.050811620000000 ] mass: 35.453000 reduced_to: 20 - symbol: Cl # 32 coordinates: [ 0.153014990000000, 0.356644700000000, 0.949188380000000 ] mass: 35.453000 reduced_to: 21 - symbol: Cl # 33 coordinates: [ 0.876282730000000, 0.781722690000000, 0.635164290000000 ] mass: 35.453000 reduced_to: 22 - symbol: Cl # 34 coordinates: [ 0.195001920000000, 0.500000000000000, 0.366713010000000 ] mass: 35.453000 reduced_to: 23 - symbol: Cl # 35 coordinates: [ 0.153014990000000, 0.643355300000000, 0.949188380000000 ] mass: 35.453000 reduced_to: 24 - symbol: Cl # 36 coordinates: [ 0.123717270000000, 0.781722690000000, 0.364835710000000 ] mass: 35.453000 reduced_to: 25supercell: lattice: - [ 20.737843980000001, 0.000000000000000, 0.104495920000000 ] # a - [ 0.000000000000000, 12.594927320000000, 0.000000000000000 ] # b - [ -1.094533880000000, 0.000000000000000, 14.503847800000001 ] # c points: - symbol: Pr # 1 coordinates: [ 0.181638880000000, 0.656219020000000, 0.115242545000000 ] mass: 140.907650 reduced_to: 1 - symbol: Pr # 2 coordinates: [ 0.681638880000000, 0.656219020000000, 0.115242545000000 ] mass: 140.907650 reduced_to: 1 - symbol: Pr # 3 coordinates: [ 0.181638880000000, 0.656219020000000, 0.615242545000000 ] mass: 140.907650 reduced_to: 1 - symbol: Pr # 4 coordinates: [ 0.681638880000000, 0.656219020000000, 0.615242545000000 ] mass: 140.907650 reduced_to: 1 - symbol: Pr # 5 coordinates: [ 0.098024095000000, 0.000000000000000, 0.120719200000000 ] mass: 140.907650 reduced_to: 5 - symbol: Pr # 6 coordinates: [ 0.598024095000000, 0.000000000000000, 0.120719200000000 ] mass: 140.907650 reduced_to: 5 - symbol: Pr # 7 coordinates: [ 0.098024095000000, 0.000000000000000, 0.620719200000000 ] mass: 140.907650 reduced_to: 5 - symbol: Pr # 8 coordinates: [ 0.598024095000000, 0.000000000000000, 0.620719200000000 ] mass: 140.907650 reduced_to: 5 - symbol: Pr # 9 coordinates: [ 0.318361120000000, 0.656219020000000, 0.384757455000000 ] mass: 140.907650 reduced_to: 9 - symbol: Pr # 10 coordinates: [ 0.818361120000000, 0.656219020000000, 0.384757455000000 ] mass: 140.907650 reduced_to: 9 - symbol: Pr # 11 coordinates: [ 0.318361120000000, 0.656219020000000, 0.884757455000000 ] mass: 140.907650 reduced_to: 9 - symbol: Pr # 12 coordinates: [ 0.818361120000000, 0.656219020000000, 0.884757455000000 ] mass: 140.907650 reduced_to: 9 - symbol: Pr # 13 coordinates: [ 0.181638880000000, 0.343780980000000, 0.115242545000000 ] mass: 140.907650 reduced_to: 13 - symbol: Pr # 14 coordinates: [ 0.681638880000000, 0.343780980000000, 0.115242545000000 ] mass: 140.907650 reduced_to: 13 - symbol: Pr # 15 coordinates: [ 0.181638880000000, 0.343780980000000, 0.615242545000000 ] mass: 140.907650 reduced_to: 13 - symbol: Pr # 16 coordinates: [ 0.681638880000000, 0.343780980000000, 0.615242545000000 ] mass: 140.907650 reduced_to: 13 - symbol: Pr # 17 coordinates: [ 0.401975905000000, 0.000000000000000, 0.379280800000000 ] mass: 140.907650 reduced_to: 17 - symbol: Pr # 18 coordinates: [ 0.901975905000000, 0.000000000000000, 0.379280800000000 ] mass: 140.907650 reduced_to: 17 - symbol: Pr # 19 coordinates: [ 0.401975905000000, 0.000000000000000, 0.879280800000000 ] mass: 140.907650 reduced_to: 17 - symbol: Pr # 20 coordinates: [ 0.901975905000000, 0.000000000000000, 0.879280800000000 ] mass: 140.907650 reduced_to: 17 - symbol: Pr # 21 coordinates: [ 0.318361120000000, 0.343780980000000, 0.384757455000000 ] mass: 140.907650 reduced_to: 21 - symbol: Pr # 22 coordinates: [ 0.818361120000000, 0.343780980000000, 0.384757455000000 ] mass: 140.907650 reduced_to: 21 - symbol: Pr # 23 coordinates: [ 0.318361120000000, 0.343780980000000, 0.884757455000000 ] mass: 140.907650 reduced_to: 21 - symbol: Pr # 24 coordinates: [ 0.818361120000000, 0.343780980000000, 0.884757455000000 ] mass: 140.907650 reduced_to: 21 - symbol: Pr # 25 coordinates: [ 0.431638880000000, 0.156219020000000, 0.115242545000000 ] mass: 140.907650 reduced_to: 1 - symbol: Pr # 26 coordinates: [ 0.931638880000000, 0.156219020000000, 0.115242545000000 ] mass: 140.907650 reduced_to: 1 - symbol: Pr # 27 coordinates: [ 0.431638880000000, 0.156219020000000, 0.615242545000000 ] mass: 140.907650 reduced_to: 1 - symbol: Pr # 28 coordinates: [ 0.931638880000000, 0.156219020000000, 0.615242545000000 ] mass: 140.907650 reduced_to: 1 - symbol: Pr # 29 coordinates: [ 0.348024095000000, 0.500000000000000, 0.120719200000000 ] mass: 140.907650 reduced_to: 5 - symbol: Pr # 30 coordinates: [ 0.848024095000000, 0.500000000000000, 0.120719200000000 ] mass: 140.907650 reduced_to: 5 - symbol: Pr # 31 coordinates: [ 0.348024095000000, 0.500000000000000, 0.620719200000000 ] mass: 140.907650 reduced_to: 5 - symbol: Pr # 32 coordinates: [ 0.848024095000000, 0.500000000000000, 0.620719200000000 ] mass: 140.907650 reduced_to: 5 - symbol: Pr # 33 coordinates: [ 0.068361120000000, 0.156219020000000, 0.384757455000000 ] mass: 140.907650 reduced_to: 9 - symbol: Pr # 34 coordinates: [ 0.568361120000000, 0.156219020000000, 0.384757455000000 ] mass: 140.907650 reduced_to: 9 - symbol: Pr # 35 coordinates: [ 0.068361120000000, 0.156219020000000, 0.884757455000000 ] mass: 140.907650 reduced_to: 9 - symbol: Pr # 36 coordinates: [ 0.568361120000000, 0.156219020000000, 0.884757455000000 ] mass: 140.907650 reduced_to: 9 - symbol: Pr # 37 coordinates: [ 0.431638880000000, 0.843780980000000, 0.115242545000000 ] mass: 140.907650 reduced_to: 13 - symbol: Pr # 38 coordinates: [ 0.931638880000000, 0.843780980000000, 0.115242545000000 ] mass: 140.907650 reduced_to: 13 - symbol: Pr # 39 coordinates: [ 0.431638880000000, 0.843780980000000, 0.615242545000000 ] mass: 140.907650 reduced_to: 13 - symbol: Pr # 40 coordinates: [ 0.931638880000000, 0.843780980000000, 0.615242545000000 ] mass: 140.907650 reduced_to: 13 - symbol: Pr # 41 coordinates: [ 0.151975905000000, 0.500000000000000, 0.379280800000000 ] mass: 140.907650 reduced_to: 17 - symbol: Pr # 42 coordinates: [ 0.651975905000000, 0.500000000000000, 0.379280800000000 ] mass: 140.907650 reduced_to: 17 - symbol: Pr # 43 coordinates: [ 0.151975905000000, 0.500000000000000, 0.879280800000000 ] mass: 140.907650 reduced_to: 17 - symbol: Pr # 44 coordinates: [ 0.651975905000000, 0.500000000000000, 0.879280800000000 ] mass: 140.907650 reduced_to: 17 - symbol: Pr # 45 coordinates: [ 0.068361120000000, 0.843780980000000, 0.384757455000000 ] mass: 140.907650 reduced_to: 21 - symbol: Pr # 46 coordinates: [ 0.568361120000000, 0.843780980000000, 0.384757455000000 ] mass: 140.907650 reduced_to: 21 - symbol: Pr # 47 coordinates: [ 0.068361120000000, 0.843780980000000, 0.884757455000000 ] mass: 140.907650 reduced_to: 21 - symbol: Pr # 48 coordinates: [ 0.568361120000000, 0.843780980000000, 0.884757455000000 ] mass: 140.907650 reduced_to: 21 - symbol: Ir # 49 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 192.217000 reduced_to: 49 - symbol: Ir # 50 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 192.217000 reduced_to: 49 - symbol: Ir # 51 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 192.217000 reduced_to: 49 - symbol: Ir # 52 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 192.217000 reduced_to: 49 - symbol: Ir # 53 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 192.217000 reduced_to: 49 - symbol: Ir # 54 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 192.217000 reduced_to: 49 - symbol: Ir # 55 coordinates: [ 0.250000000000000, 0.500000000000000, 0.500000000000000 ] mass: 192.217000 reduced_to: 49 - symbol: Ir # 56 coordinates: [ 0.750000000000000, 0.500000000000000, 0.500000000000000 ] mass: 192.217000 reduced_to: 49 - symbol: Cl # 57 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 58 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 59 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 60 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 61 coordinates: [ 0.188141365000000, 0.718277310000000, 0.317582145000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 62 coordinates: [ 0.688141365000000, 0.718277310000000, 0.317582145000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 63 coordinates: [ 0.188141365000000, 0.718277310000000, 0.817582145000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 64 coordinates: [ 0.688141365000000, 0.718277310000000, 0.817582145000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 65 coordinates: [ 0.173492505000000, 0.856644700000000, 0.025405810000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 66 coordinates: [ 0.673492505000000, 0.856644700000000, 0.025405810000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 67 coordinates: [ 0.173492505000000, 0.856644700000000, 0.525405810000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 68 coordinates: [ 0.673492505000000, 0.856644700000000, 0.525405810000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 69 coordinates: [ 0.152499040000000, 0.000000000000000, 0.316643495000000 ] mass: 35.453000 reduced_to: 69 - symbol: Cl # 70 coordinates: [ 0.652499040000000, 0.000000000000000, 0.316643495000000 ] mass: 35.453000 reduced_to: 69 - symbol: Cl # 71 coordinates: [ 0.152499040000000, 0.000000000000000, 0.816643495000000 ] mass: 35.453000 reduced_to: 69 - symbol: Cl # 72 coordinates: [ 0.652499040000000, 0.000000000000000, 0.816643495000000 ] mass: 35.453000 reduced_to: 69 - symbol: Cl # 73 coordinates: [ 0.311858635000000, 0.718277310000000, 0.182417855000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 74 coordinates: [ 0.811858635000000, 0.718277310000000, 0.182417855000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 75 coordinates: [ 0.311858635000000, 0.718277310000000, 0.682417855000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 76 coordinates: [ 0.811858635000000, 0.718277310000000, 0.682417855000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 77 coordinates: [ 0.173492505000000, 0.143355300000000, 0.025405810000000 ] mass: 35.453000 reduced_to: 77 - symbol: Cl # 78 coordinates: [ 0.673492505000000, 0.143355300000000, 0.025405810000000 ] mass: 35.453000 reduced_to: 77 - symbol: Cl # 79 coordinates: [ 0.173492505000000, 0.143355300000000, 0.525405810000000 ] mass: 35.453000 reduced_to: 77 - symbol: Cl # 80 coordinates: [ 0.673492505000000, 0.143355300000000, 0.525405810000000 ] mass: 35.453000 reduced_to: 77 - symbol: Cl # 81 coordinates: [ 0.326507495000000, 0.856644700000000, 0.474594190000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 82 coordinates: [ 0.826507495000000, 0.856644700000000, 0.474594190000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 83 coordinates: [ 0.326507495000000, 0.856644700000000, 0.974594190000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 84 coordinates: [ 0.826507495000000, 0.856644700000000, 0.974594190000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 85 coordinates: [ 0.188141365000000, 0.281722690000000, 0.317582145000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 86 coordinates: [ 0.688141365000000, 0.281722690000000, 0.317582145000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 87 coordinates: [ 0.188141365000000, 0.281722690000000, 0.817582145000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 88 coordinates: [ 0.688141365000000, 0.281722690000000, 0.817582145000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 89 coordinates: [ 0.347500960000000, 0.000000000000000, 0.183356505000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 90 coordinates: [ 0.847500960000000, 0.000000000000000, 0.183356505000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 91 coordinates: [ 0.347500960000000, 0.000000000000000, 0.683356505000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 92 coordinates: [ 0.847500960000000, 0.000000000000000, 0.683356505000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 93 coordinates: [ 0.326507495000000, 0.143355300000000, 0.474594190000000 ] mass: 35.453000 reduced_to: 93 - symbol: Cl # 94 coordinates: [ 0.826507495000000, 0.143355300000000, 0.474594190000000 ] mass: 35.453000 reduced_to: 93 - symbol: Cl # 95 coordinates: [ 0.326507495000000, 0.143355300000000, 0.974594190000000 ] mass: 35.453000 reduced_to: 93 - symbol: Cl # 96 coordinates: [ 0.826507495000000, 0.143355300000000, 0.974594190000000 ] mass: 35.453000 reduced_to: 93 - symbol: Cl # 97 coordinates: [ 0.311858635000000, 0.281722690000000, 0.182417855000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 98 coordinates: [ 0.811858635000000, 0.281722690000000, 0.182417855000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 99 coordinates: [ 0.311858635000000, 0.281722690000000, 0.682417855000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 100 coordinates: [ 0.811858635000000, 0.281722690000000, 0.682417855000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 101 coordinates: [ 0.250000000000000, 0.500000000000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 102 coordinates: [ 0.750000000000000, 0.500000000000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 103 coordinates: [ 0.250000000000000, 0.500000000000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 104 coordinates: [ 0.750000000000000, 0.500000000000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 105 coordinates: [ 0.438141365000000, 0.218277310000000, 0.317582145000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 106 coordinates: [ 0.938141365000000, 0.218277310000000, 0.317582145000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 107 coordinates: [ 0.438141365000000, 0.218277310000000, 0.817582145000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 108 coordinates: [ 0.938141365000000, 0.218277310000000, 0.817582145000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 109 coordinates: [ 0.423492505000000, 0.356644700000000, 0.025405810000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 110 coordinates: [ 0.923492505000000, 0.356644700000000, 0.025405810000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 111 coordinates: [ 0.423492505000000, 0.356644700000000, 0.525405810000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 112 coordinates: [ 0.923492505000000, 0.356644700000000, 0.525405810000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 113 coordinates: [ 0.402499040000000, 0.500000000000000, 0.316643495000000 ] mass: 35.453000 reduced_to: 69 - symbol: Cl # 114 coordinates: [ 0.902499040000000, 0.500000000000000, 0.316643495000000 ] mass: 35.453000 reduced_to: 69 - symbol: Cl # 115 coordinates: [ 0.402499040000000, 0.500000000000000, 0.816643495000000 ] mass: 35.453000 reduced_to: 69 - symbol: Cl # 116 coordinates: [ 0.902499040000000, 0.500000000000000, 0.816643495000000 ] mass: 35.453000 reduced_to: 69 - symbol: Cl # 117 coordinates: [ 0.061858635000000, 0.218277310000000, 0.182417855000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 118 coordinates: [ 0.561858635000000, 0.218277310000000, 0.182417855000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 119 coordinates: [ 0.061858635000000, 0.218277310000000, 0.682417855000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 120 coordinates: [ 0.561858635000000, 0.218277310000000, 0.682417855000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 121 coordinates: [ 0.423492505000000, 0.643355300000000, 0.025405810000000 ] mass: 35.453000 reduced_to: 77 - symbol: Cl # 122 coordinates: [ 0.923492505000000, 0.643355300000000, 0.025405810000000 ] mass: 35.453000 reduced_to: 77 - symbol: Cl # 123 coordinates: [ 0.423492505000000, 0.643355300000000, 0.525405810000000 ] mass: 35.453000 reduced_to: 77 - symbol: Cl # 124 coordinates: [ 0.923492505000000, 0.643355300000000, 0.525405810000000 ] mass: 35.453000 reduced_to: 77 - symbol: Cl # 125 coordinates: [ 0.076507495000000, 0.356644700000000, 0.474594190000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 126 coordinates: [ 0.576507495000000, 0.356644700000000, 0.474594190000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 127 coordinates: [ 0.076507495000000, 0.356644700000000, 0.974594190000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 128 coordinates: [ 0.576507495000000, 0.356644700000000, 0.974594190000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 129 coordinates: [ 0.438141365000000, 0.781722690000000, 0.317582145000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 130 coordinates: [ 0.938141365000000, 0.781722690000000, 0.317582145000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 131 coordinates: [ 0.438141365000000, 0.781722690000000, 0.817582145000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 132 coordinates: [ 0.938141365000000, 0.781722690000000, 0.817582145000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 133 coordinates: [ 0.097500960000000, 0.500000000000000, 0.183356505000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 134 coordinates: [ 0.597500960000000, 0.500000000000000, 0.183356505000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 135 coordinates: [ 0.097500960000000, 0.500000000000000, 0.683356505000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 136 coordinates: [ 0.597500960000000, 0.500000000000000, 0.683356505000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 137 coordinates: [ 0.076507495000000, 0.643355300000000, 0.474594190000000 ] mass: 35.453000 reduced_to: 93 - symbol: Cl # 138 coordinates: [ 0.576507495000000, 0.643355300000000, 0.474594190000000 ] mass: 35.453000 reduced_to: 93 - symbol: Cl # 139 coordinates: [ 0.076507495000000, 0.643355300000000, 0.974594190000000 ] mass: 35.453000 reduced_to: 93 - symbol: Cl # 140 coordinates: [ 0.576507495000000, 0.643355300000000, 0.974594190000000 ] mass: 35.453000 reduced_to: 93 - symbol: Cl # 141 coordinates: [ 0.061858635000000, 0.781722690000000, 0.182417855000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 142 coordinates: [ 0.561858635000000, 0.781722690000000, 0.182417855000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 143 coordinates: [ 0.061858635000000, 0.781722690000000, 0.682417855000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 144 coordinates: [ 0.561858635000000, 0.781722690000000, 0.682417855000000 ] mass: 35.453000 reduced_to: 97displacements:- atom: 1 displacement: [ 0.0099998730498564, 0.0000000000000000, 0.0000503883593317 ] forces: - [ -0.0580755400000000, -0.0052529000000000, -0.0115324200000000 ] - [ 0.0096020200000000, -0.0024832200000000, -0.0033290500000000 ] - [ 0.0080767300000000, -0.0010716200000000, -0.0035047800000000 ] - [ 0.0093928600000000, -0.0025007000000000, -0.0033339100000000 ] - [ 0.0954034500000000, -0.0029691000000000, 0.0537486500000000 ] - [ 0.0976180600000000, 0.0000273200000000, 0.0525582200000000 ] - [ 0.0963750600000000, -0.0000980600000000, 0.0527288300000000 ] - [ 0.0973619200000000, 0.0000337600000000, 0.0525064700000000 ] - [ -0.0107021500000000, -0.0028934700000000, 0.0086305100000000 ] - [ -0.0079756100000000, -0.0018446600000000, 0.0032525200000000 ] - [ -0.0068460800000000, -0.0020511100000000, -0.0004908400000000 ] - [ -0.0076289600000000, -0.0018561000000000, 0.0040678800000000 ] - [ 0.0030343700000000, 0.0028920400000000, -0.0025192200000000 ] - [ 0.0095007500000000, 0.0024829800000000, -0.0033367700000000 ] - [ 0.0079712500000000, 0.0013696100000000, -0.0034055900000000 ] - [ 0.0093394000000000, 0.0025058100000000, -0.0033608100000000 ] - [ -0.0968617800000000, 0.0004135500000000, -0.0519544200000000 ] - [ -0.0964005500000000, -0.0002785800000000, -0.0530969200000000 ] - [ -0.0966633900000000, 0.0004784900000000, -0.0530286100000000 ] - [ -0.0965904600000000, -0.0003205800000000, -0.0523138700000000 ] - [ -0.0090049700000000, 0.0010601900000000, 0.0043264100000000 ] - [ -0.0082044100000000, 0.0020841000000000, 0.0033654800000000 ] - [ -0.0081945900000000, -0.0008053700000000, 0.0001656500000000 ] - [ -0.0081179700000000, 0.0020376900000000, 0.0036805800000000 ] - [ 0.0093079700000000, -0.0023140300000000, -0.0034830200000000 ] - [ 0.0093074300000000, -0.0025262000000000, -0.0032912600000000 ] - [ 0.0088824100000000, -0.0022057700000000, -0.0033898500000000 ] - [ 0.0088840800000000, -0.0026518600000000, -0.0034301100000000 ] - [ 0.1056362100000000, -0.0071147500000000, 0.0543315600000000 ] - [ 0.0980670200000000, 0.0004257600000000, 0.0523230200000000 ] - [ 0.0974727400000000, -0.0000154100000000, 0.0527633700000000 ] - [ 0.0972155200000000, 0.0000532800000000, 0.0526874400000000 ] - [ -0.0094925100000000, -0.0030370500000000, 0.0028495600000000 ] - [ -0.0081585600000000, -0.0017918700000000, 0.0035999600000000 ] - [ -0.0093169600000000, -0.0026995800000000, 0.0039343400000000 ] - [ -0.0081167700000000, -0.0018134700000000, 0.0034126800000000 ] - [ 0.0127230900000000, 0.0048192500000000, -0.0049427600000000 ] - [ 0.0126896500000000, 0.0005396500000000, -0.0024171600000000 ] - [ 0.0088178100000000, 0.0022266300000000, -0.0034064200000000 ] - [ 0.0088198200000000, 0.0024282400000000, -0.0033049800000000 ] - [ -0.1012821600000000, 0.0003189500000000, -0.0561945400000000 ] - [ -0.0964593500000000, -0.0000127200000000, -0.0525978100000000 ] - [ -0.1018999200000000, 0.0021523700000000, -0.0519901200000000 ] - [ -0.0964115200000000, -0.0000021200000000, -0.0526499800000000 ] - [ -0.0091270500000000, 0.0015994400000000, -0.0001848500000000 ] - [ -0.0077076700000000, 0.0020034000000000, 0.0037302100000000 ] - [ -0.0094846000000000, -0.0024903900000000, 0.0061170900000000 ] - [ -0.0080218500000000, 0.0019150100000000, 0.0034833000000000 ] - [ -0.0001756600000000, 0.0018415800000000, -0.0007849800000000 ] - [ -0.0011330300000000, -0.0007264100000000, 0.0007397900000000 ] - [ 0.0000031400000000, 0.0005818300000000, 0.0004781400000000 ] - [ -0.0004245400000000, -0.0001744000000000, -0.0002114300000000 ] - [ 0.0108150000000000, -0.0006304200000000, -0.0011811900000000 ] - [ -0.0009959900000000, -0.0001585200000000, 0.0000440000000000 ] - [ 0.0018151500000000, 0.0004733800000000, -0.0003743600000000 ] - [ -0.0006470000000000, -0.0000654500000000, 0.0001465900000000 ] - [ -0.0004719000000000, 0.0010935800000000, 0.0004130900000000 ] - [ -0.0002924800000000, -0.0001436600000000, -0.0000626500000000 ] - [ -0.0000072300000000, 0.0002311700000000, -0.0001663600000000 ] - [ -0.0001869400000000, -0.0000277000000000, 0.0000618000000000 ] - [ 0.0091856900000000, 0.0023124400000000, 0.0048555900000000 ] - [ 0.0050856800000000, 0.0031326500000000, 0.0024183800000000 ] - [ 0.0067094600000000, 0.0024411200000000, 0.0024048900000000 ] - [ 0.0050340300000000, 0.0031483800000000, 0.0023786400000000 ] - [ 0.0090143500000000, -0.0054816900000000, 0.0054537800000000 ] - [ 0.0060862000000000, -0.0052626100000000, 0.0054345200000000 ] - [ 0.0068015900000000, -0.0058571600000000, 0.0058565500000000 ] - [ 0.0061250900000000, -0.0052794900000000, 0.0053826500000000 ] - [ -0.0326103800000000, 0.0004094500000000, 0.0056411100000000 ] - [ -0.0332105900000000, -0.0000338000000000, 0.0052758500000000 ] - [ -0.0325423800000000, 0.0002834100000000, 0.0051261100000000 ] - [ -0.0331744100000000, -0.0000181100000000, 0.0052976400000000 ] - [ 0.0084479400000000, 0.0078693900000000, 0.0007292900000000 ] - [ -0.0058734300000000, 0.0028241000000000, -0.0023255600000000 ] - [ -0.0051704000000000, 0.0031453200000000, -0.0022436600000000 ] - [ -0.0056948200000000, 0.0028676100000000, -0.0024501000000000 ] - [ 0.0069517600000000, 0.0060763500000000, 0.0056026400000000 ] - [ 0.0061261900000000, 0.0052591900000000, 0.0054598300000000 ] - [ 0.0067381400000000, 0.0059088100000000, 0.0057359700000000 ] - [ 0.0061673500000000, 0.0052819600000000, 0.0054364300000000 ] - [ -0.0062744800000000, -0.0056575400000000, -0.0057069600000000 ] - [ -0.0066372700000000, -0.0056202500000000, -0.0054827900000000 ] - [ -0.0067228900000000, -0.0061139600000000, -0.0047921400000000 ] - [ -0.0068551300000000, -0.0055850900000000, -0.0059125800000000 ] - [ 0.0065960900000000, -0.0024954200000000, 0.0023257800000000 ] - [ 0.0051258400000000, -0.0031283700000000, 0.0024075900000000 ] - [ 0.0060128100000000, -0.0029056900000000, 0.0021628700000000 ] - [ 0.0051173000000000, -0.0031259800000000, 0.0023951900000000 ] - [ 0.0326239100000000, -0.0006533800000000, -0.0054434400000000 ] - [ 0.0326818200000000, 0.0001615200000000, -0.0052204700000000 ] - [ 0.0330476500000000, 0.0000018600000000, -0.0052953600000000 ] - [ 0.0328623600000000, 0.0000141900000000, -0.0054671100000000 ] - [ -0.0063208800000000, 0.0056712000000000, -0.0056220200000000 ] - [ -0.0065897800000000, 0.0056703500000000, -0.0055347800000000 ] - [ -0.0063334700000000, 0.0055973100000000, -0.0054521500000000 ] - [ -0.0066364800000000, 0.0056775400000000, -0.0056141100000000 ] - [ -0.0052057500000000, -0.0024967300000000, -0.0024991000000000 ] - [ -0.0057449400000000, -0.0028964600000000, -0.0023512900000000 ] - [ -0.0052311700000000, -0.0028285700000000, -0.0020970000000000 ] - [ -0.0056462800000000, -0.0029048900000000, -0.0024210700000000 ] - [ 0.0037746100000000, -0.0010478400000000, 0.0013357100000000 ] - [ -0.0002974200000000, -0.0000090200000000, 0.0000250400000000 ] - [ 0.0002932000000000, -0.0001441700000000, -0.0003451700000000 ] - [ -0.0002512600000000, -0.0000232700000000, -0.0000488000000000 ] - [ 0.0052627700000000, 0.0030247700000000, 0.0023127400000000 ] - [ 0.0052544300000000, 0.0032378100000000, 0.0025589300000000 ] - [ 0.0052424000000000, 0.0030545000000000, 0.0024851100000000 ] - [ 0.0054149400000000, 0.0030982200000000, 0.0023330200000000 ] - [ 0.0056234000000000, -0.0048140900000000, 0.0055009800000000 ] - [ 0.0061551400000000, -0.0054486300000000, 0.0053713700000000 ] - [ 0.0063159000000000, -0.0054023000000000, 0.0054020200000000 ] - [ 0.0063581300000000, -0.0053727400000000, 0.0055194500000000 ] - [ -0.0331759100000000, 0.0006991700000000, 0.0047499300000000 ] - [ -0.0332993800000000, -0.0000620100000000, 0.0053999100000000 ] - [ -0.0331078700000000, 0.0001727800000000, 0.0056464900000000 ] - [ -0.0332033100000000, -0.0000951400000000, 0.0051861400000000 ] - [ -0.0051966700000000, 0.0027837600000000, -0.0023228100000000 ] - [ -0.0057506500000000, 0.0028176500000000, -0.0024092100000000 ] - [ -0.0051639500000000, 0.0032810000000000, -0.0024886600000000 ] - [ -0.0056526500000000, 0.0028340700000000, -0.0023712400000000 ] - [ 0.0057795300000000, 0.0056064700000000, 0.0062518200000000 ] - [ 0.0054300500000000, 0.0051630300000000, 0.0052464000000000 ] - [ 0.0063006200000000, 0.0054876900000000, 0.0053639800000000 ] - [ 0.0063348500000000, 0.0053356100000000, 0.0055436400000000 ] - [ -0.0060429100000000, -0.0050759900000000, -0.0052469600000000 ] - [ -0.0066388300000000, -0.0057053200000000, -0.0056324000000000 ] - [ -0.0056629000000000, -0.0054959800000000, -0.0058162200000000 ] - [ -0.0067015000000000, -0.0057104500000000, -0.0056100600000000 ] - [ 0.0042873800000000, -0.0035527500000000, 0.0016561800000000 ] - [ 0.0045065400000000, -0.0029825300000000, 0.0030253500000000 ] - [ 0.0050590000000000, -0.0031495300000000, 0.0025446100000000 ] - [ 0.0050995800000000, -0.0028144400000000, 0.0020234500000000 ] - [ 0.0485092100000000, 0.0088499400000000, -0.0086964800000000 ] - [ 0.0327465200000000, 0.0000063400000000, -0.0053657200000000 ] - [ 0.0333788500000000, -0.0001600100000000, -0.0050933400000000 ] - [ 0.0328014400000000, 0.0000037600000000, -0.0053826800000000 ] - [ -0.0058745500000000, 0.0049187500000000, -0.0051541000000000 ] - [ -0.0066802900000000, 0.0057354000000000, -0.0056555500000000 ] - [ 0.0056569100000000, 0.0071479200000000, 0.0002520700000000 ] - [ -0.0067463900000000, 0.0057289400000000, -0.0056253600000000 ] - [ -0.0025748600000000, -0.0015588500000000, -0.0018864200000000 ] - [ -0.0059391000000000, -0.0028495700000000, -0.0023611300000000 ] - [ -0.0050693600000000, -0.0031433700000000, -0.0025918700000000 ] - [ -0.0056747400000000, -0.0028403500000000, -0.0023558700000000 ]- atom: 1 displacement: [ -0.0099998730498564, 0.0000000000000000, -0.0000503883593317 ] forces: - [ 0.0754709800000000, 0.0012828500000000, 0.0045184900000000 ] - [ 0.0079089500000000, -0.0018601800000000, -0.0035835000000000 ] - [ 0.0094271000000000, -0.0032678400000000, -0.0034111900000000 ] - [ 0.0081180900000000, -0.0018426400000000, -0.0035787200000000 ] - [ 0.0985656500000000, 0.0029633000000000, 0.0513483100000000 ] - [ 0.0963149600000000, -0.0000277800000000, 0.0525604100000000 ] - [ 0.0975581800000000, 0.0000958500000000, 0.0523896000000000 ] - [ 0.0965727600000000, -0.0000337100000000, 0.0526119500000000 ] - [ -0.0068374100000000, -0.0014609400000000, -0.0016922800000000 ] - [ -0.0095321900000000, -0.0024975000000000, 0.0036609600000000 ] - [ -0.0106447900000000, -0.0022919200000000, 0.0073640900000000 ] - [ -0.0098788900000000, -0.0024856700000000, 0.0028428800000000 ] - [ 0.0144578500000000, 0.0014845200000000, -0.0043885500000000 ] - [ 0.0080102600000000, 0.0018603400000000, -0.0035757500000000 ] - [ 0.0095356500000000, 0.0029729300000000, -0.0035079500000000 ] - [ 0.0081714400000000, 0.0018375600000000, -0.0035518300000000 ] - [ -0.0970727900000000, -0.0004126700000000, -0.0531616700000000 ] - [ -0.0975302500000000, 0.0002797000000000, -0.0520184900000000 ] - [ -0.0972660100000000, -0.0004761600000000, -0.0520907300000000 ] - [ -0.0973419400000000, 0.0003203800000000, -0.0528070000000000 ] - [ -0.0085098400000000, 0.0032929200000000, 0.0025786600000000 ] - [ -0.0093029800000000, 0.0022572200000000, 0.0035475900000000 ] - [ -0.0093301000000000, 0.0051582900000000, 0.0067443300000000 ] - [ -0.0093892400000000, 0.0023043500000000, 0.0032319300000000 ] - [ 0.0082015600000000, -0.0020265400000000, -0.0034282000000000 ] - [ 0.0082035300000000, -0.0018145500000000, -0.0036192600000000 ] - [ 0.0086252000000000, -0.0021339700000000, -0.0035227100000000 ] - [ 0.0086269400000000, -0.0016917300000000, -0.0034828000000000 ] - [ 0.0884579300000000, 0.0070029600000000, 0.0508345800000000 ] - [ 0.0958662700000000, -0.0004271000000000, 0.0527962200000000 ] - [ 0.0964669900000000, 0.0000187100000000, 0.0523586400000000 ] - [ 0.0967183700000000, -0.0000532900000000, 0.0524298800000000 ] - [ -0.0080164500000000, -0.0013040400000000, 0.0040619200000000 ] - [ -0.0093488200000000, -0.0025475300000000, 0.0033117500000000 ] - [ -0.0081887900000000, -0.0016427400000000, 0.0029774200000000 ] - [ -0.0093903500000000, -0.0025277100000000, 0.0034998800000000 ] - [ 0.0048114000000000, -0.0004681300000000, -0.0019723400000000 ] - [ 0.0048041100000000, 0.0038122600000000, -0.0044919000000000 ] - [ 0.0086887000000000, 0.0021128300000000, -0.0035056700000000 ] - [ 0.0086922000000000, 0.0019150500000000, -0.0036068900000000 ] - [ -0.0926621200000000, -0.0002968500000000, -0.0489381800000000 ] - [ -0.0974726600000000, 0.0000126900000000, -0.0525195900000000 ] - [ -0.0920557300000000, -0.0021255600000000, -0.0531001500000000 ] - [ -0.0975218300000000, 0.0000023000000000, -0.0524692600000000 ] - [ -0.0083725900000000, 0.0027403800000000, 0.0071115300000000 ] - [ -0.0097990000000000, 0.0023363500000000, 0.0031816800000000 ] - [ -0.0080013400000000, 0.0068316000000000, 0.0008108600000000 ] - [ -0.0094856700000000, 0.0024257900000000, 0.0034290300000000 ] - [ 0.0001654000000000, -0.0018437500000000, 0.0007875600000000 ] - [ 0.0011289600000000, 0.0007238300000000, -0.0007377100000000 ] - [ -0.0000048800000000, -0.0005828800000000, -0.0004796200000000 ] - [ 0.0004246500000000, 0.0001742600000000, 0.0002110600000000 ] - [ -0.0106197300000000, 0.0004259900000000, 0.0010114300000000 ] - [ 0.0009946200000000, 0.0001591400000000, -0.0000433600000000 ] - [ -0.0018093500000000, -0.0004762500000000, 0.0003760100000000 ] - [ 0.0006456300000000, 0.0000657500000000, -0.0001465600000000 ] - [ 0.0004713400000000, -0.0010964700000000, -0.0004107200000000 ] - [ 0.0002917400000000, 0.0001434800000000, 0.0000620400000000 ] - [ 0.0000050800000000, -0.0002303200000000, 0.0001636100000000 ] - [ 0.0001868400000000, 0.0000278900000000, -0.0000608000000000 ] - [ 0.0016334800000000, 0.0036522700000000, -0.0000488200000000 ] - [ 0.0057636700000000, 0.0028313400000000, 0.0023674000000000 ] - [ 0.0041447700000000, 0.0035185700000000, 0.0023894100000000 ] - [ 0.0058154400000000, 0.0028158300000000, 0.0024076500000000 ] - [ 0.0037488000000000, -0.0055165100000000, 0.0056347500000000 ] - [ 0.0067244900000000, -0.0057266100000000, 0.0056311000000000 ] - [ 0.0060086000000000, -0.0051299700000000, 0.0052144000000000 ] - [ 0.0066862200000000, -0.0057093100000000, 0.0056829400000000 ] - [ -0.0333569000000000, -0.0004097400000000, 0.0050098200000000 ] - [ -0.0327567000000000, 0.0000333900000000, 0.0053744300000000 ] - [ -0.0334243900000000, -0.0002799300000000, 0.0055218300000000 ] - [ -0.0327925400000000, 0.0000179800000000, 0.0053537000000000 ] - [ -0.0185188900000000, -0.0016780300000000, -0.0052373400000000 ] - [ -0.0049780000000000, 0.0031394500000000, -0.0024588800000000 ] - [ -0.0056780000000000, 0.0028174400000000, -0.0025393400000000 ] - [ -0.0051577300000000, 0.0030950800000000, -0.0023342400000000 ] - [ 0.0058588100000000, 0.0049195000000000, 0.0054655900000000 ] - [ 0.0066840600000000, 0.0057298800000000, 0.0056072800000000 ] - [ 0.0060740600000000, 0.0050822400000000, 0.0053315600000000 ] - [ 0.0066437500000000, 0.0057067000000000, 0.0056301800000000 ] - [ -0.0065350300000000, -0.0053312100000000, -0.0053609000000000 ] - [ -0.0061750900000000, -0.0053700500000000, -0.0055847100000000 ] - [ -0.0060953200000000, -0.0048822000000000, -0.0062685800000000 ] - [ -0.0059578000000000, -0.0054056600000000, -0.0051555200000000 ] - [ 0.0042569800000000, -0.0034638900000000, 0.0024568000000000 ] - [ 0.0057237900000000, -0.0028356900000000, 0.0023768900000000 ] - [ 0.0048403400000000, -0.0030587600000000, 0.0026198700000000 ] - [ 0.0057331000000000, -0.0028382700000000, 0.0023897800000000 ] - [ 0.0333401300000000, 0.0006483200000000, -0.0052074500000000 ] - [ 0.0332836700000000, -0.0001613300000000, -0.0054316300000000 ] - [ 0.0329197900000000, -0.0000013200000000, -0.0053552600000000 ] - [ 0.0331021600000000, -0.0000138700000000, -0.0051837000000000 ] - [ -0.0064899200000000, 0.0053171200000000, -0.0054440300000000 ] - [ -0.0062227600000000, 0.0053200100000000, -0.0055316200000000 ] - [ -0.0064773000000000, 0.0053932600000000, -0.0056144000000000 ] - [ -0.0061760600000000, 0.0053129700000000, -0.0054528500000000 ] - [ -0.0056425800000000, -0.0034660700000000, -0.0022945900000000 ] - [ -0.0051063500000000, -0.0030670100000000, -0.0024344300000000 ] - [ -0.0056160400000000, -0.0031365900000000, -0.0026841900000000 ] - [ -0.0052054200000000, -0.0030579700000000, -0.0023641000000000 ] - [ -0.0037238600000000, 0.0009789500000000, -0.0012781200000000 ] - [ 0.0002971000000000, 0.0000090700000000, -0.0000241300000000 ] - [ -0.0002899500000000, 0.0001410500000000, 0.0003428600000000 ] - [ 0.0002502000000000, 0.0000235500000000, 0.0000481000000000 ] - [ 0.0055886600000000, 0.0029379300000000, 0.0024716900000000 ] - [ 0.0055961600000000, 0.0027257500000000, 0.0022262500000000 ] - [ 0.0056064400000000, 0.0029102700000000, 0.0022997900000000 ] - [ 0.0054343500000000, 0.0028659100000000, 0.0024519500000000 ] - [ 0.0071837500000000, -0.0061728900000000, 0.0055620500000000 ] - [ 0.0066557700000000, -0.0055404400000000, 0.0056949000000000 ] - [ 0.0064969300000000, -0.0055879400000000, 0.0056663800000000 ] - [ 0.0064535200000000, -0.0056163600000000, 0.0055463600000000 ] - [ -0.0327882100000000, -0.0006949100000000, 0.0058954800000000 ] - [ -0.0326653900000000, 0.0000620800000000, 0.0052510400000000 ] - [ -0.0328583600000000, -0.0001747900000000, 0.0050061700000000 ] - [ -0.0327628300000000, 0.0000945400000000, 0.0054663900000000 ] - [ -0.0056559400000000, 0.0031789400000000, -0.0024604400000000 ] - [ -0.0051012500000000, 0.0031452900000000, -0.0023747300000000 ] - [ -0.0056872500000000, 0.0026836500000000, -0.0022953000000000 ] - [ -0.0051999300000000, 0.0031287100000000, -0.0024117600000000 ] - [ 0.0070334800000000, 0.0053879700000000, 0.0048201500000000 ] - [ 0.0073854100000000, 0.0058262100000000, 0.0058237000000000 ] - [ 0.0065123500000000, 0.0055029400000000, 0.0057051900000000 ] - [ 0.0064763200000000, 0.0056533100000000, 0.0055233000000000 ] - [ -0.0067690900000000, -0.0059139100000000, -0.0058198200000000 ] - [ -0.0061730200000000, -0.0052852300000000, -0.0054362800000000 ] - [ -0.0071514400000000, -0.0054960300000000, -0.0052513400000000 ] - [ -0.0061112500000000, -0.0052799300000000, -0.0054579800000000 ] - [ 0.0065634500000000, -0.0024098800000000, 0.0031273700000000 ] - [ 0.0063466200000000, -0.0029825500000000, 0.0017581600000000 ] - [ 0.0057914200000000, -0.0028136800000000, 0.0022397400000000 ] - [ 0.0057468500000000, -0.0031495700000000, 0.0027602100000000 ] - [ 0.0171460000000000, -0.0092705100000000, -0.0017316100000000 ] - [ 0.0332177100000000, -0.0000063900000000, -0.0052865100000000 ] - [ 0.0325871700000000, 0.0001607300000000, -0.0055578000000000 ] - [ 0.0331631600000000, -0.0000034900000000, -0.0052674900000000 ] - [ -0.0069400900000000, 0.0060692900000000, -0.0059105500000000 ] - [ -0.0061323000000000, 0.0052551100000000, -0.0054121400000000 ] - [ -0.0188843900000000, 0.0038230700000000, -0.0117814600000000 ] - [ -0.0060662800000000, 0.0052616700000000, -0.0054418200000000 ] - [ -0.0085270400000000, -0.0042767100000000, -0.0028307600000000 ] - [ -0.0049132500000000, -0.0031133900000000, -0.0024237900000000 ] - [ -0.0057815900000000, -0.0028212700000000, -0.0021948700000000 ] - [ -0.0051770100000000, -0.0031224400000000, -0.0024282900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0055286000000000, -0.0818694000000000, 0.0053061000000000 ] - [ 0.0084417100000000, -0.0022171500000000, -0.0035008800000000 ] - [ 0.0098526600000000, -0.0046374000000000, -0.0039638600000000 ] - [ 0.0084223300000000, -0.0021661700000000, -0.0035240500000000 ] - [ 0.0929260500000000, 0.0075153300000000, 0.0552048300000000 ] - [ 0.0968199700000000, 0.0000653000000000, 0.0525907500000000 ] - [ 0.0972610500000000, 0.0002291400000000, 0.0519986800000000 ] - [ 0.0966865000000000, 0.0000463400000000, 0.0525489700000000 ] - [ -0.0080494500000000, -0.0070857700000000, 0.0048817000000000 ] - [ -0.0090789100000000, -0.0027482900000000, 0.0035165600000000 ] - [ -0.0088690900000000, -0.0049902600000000, 0.0033209000000000 ] - [ -0.0090683100000000, -0.0026417000000000, 0.0034251100000000 ] - [ 0.0080486100000000, 0.0195171900000000, -0.0023409900000000 ] - [ 0.0084421500000000, 0.0021553700000000, -0.0035075300000000 ] - [ 0.0095584600000000, 0.0036555800000000, -0.0038679800000000 ] - [ 0.0084172500000000, 0.0021141500000000, -0.0035179400000000 ] - [ -0.0969651300000000, 0.0003452300000000, -0.0520255600000000 ] - [ -0.0972571300000000, 0.0003040200000000, -0.0522087900000000 ] - [ -0.0965204600000000, 0.0007952300000000, -0.0530472400000000 ] - [ -0.0974009800000000, 0.0003618100000000, -0.0526882600000000 ] - [ -0.0098661900000000, 0.0050498800000000, 0.0024900500000000 ] - [ -0.0088386000000000, 0.0025024500000000, 0.0034326300000000 ] - [ -0.0117360000000000, 0.0049997600000000, 0.0054336300000000 ] - [ -0.0088884200000000, 0.0024612500000000, 0.0035006000000000 ] - [ 0.0083971500000000, -0.0011752400000000, -0.0034847100000000 ] - [ 0.0086081300000000, -0.0011785100000000, -0.0035288600000000 ] - [ 0.0082739100000000, -0.0014424100000000, -0.0035889300000000 ] - [ 0.0087153400000000, -0.0014403100000000, -0.0033925000000000 ] - [ 0.0895783500000000, -0.0001894200000000, 0.0514416100000000 ] - [ 0.0972726100000000, -0.0001512500000000, 0.0527482300000000 ] - [ 0.0969017500000000, -0.0003151900000000, 0.0523242000000000 ] - [ 0.0969175900000000, -0.0000618800000000, 0.0525596600000000 ] - [ -0.0078848800000000, -0.0001243300000000, 0.0034744300000000 ] - [ -0.0091313000000000, -0.0020578900000000, 0.0034359200000000 ] - [ -0.0082222000000000, -0.0001226800000000, 0.0033214900000000 ] - [ -0.0091089200000000, -0.0021210500000000, 0.0033349000000000 ] - [ 0.0103865800000000, 0.0023919600000000, -0.0034970700000000 ] - [ 0.0061149700000000, 0.0023969600000000, -0.0046064300000000 ] - [ 0.0084965000000000, 0.0016594100000000, -0.0035593600000000 ] - [ 0.0086950500000000, 0.0016569600000000, -0.0034534600000000 ] - [ -0.0977366200000000, -0.0025202600000000, -0.0582225400000000 ] - [ -0.0972527200000000, -0.0000268500000000, -0.0525300800000000 ] - [ -0.0929492600000000, 0.0008365200000000, -0.0456748600000000 ] - [ -0.0972020400000000, -0.0000416100000000, -0.0525699700000000 ] - [ -0.0093318300000000, 0.0025818900000000, 0.0064745300000000 ] - [ -0.0089210400000000, 0.0021829800000000, 0.0034887700000000 ] - [ -0.0133989700000000, -0.0002029000000000, -0.0020451200000000 ] - [ -0.0090080800000000, 0.0022308400000000, 0.0033660700000000 ] - [ 0.0020923700000000, -0.0022418700000000, 0.0011426500000000 ] - [ -0.0001203800000000, -0.0005220400000000, 0.0001152300000000 ] - [ 0.0000407600000000, -0.0007689900000000, -0.0003030500000000 ] - [ 0.0003285000000000, -0.0001958500000000, -0.0002167000000000 ] - [ -0.0012919500000000, 0.0133618900000000, 0.0014717100000000 ] - [ 0.0002215100000000, 0.0001127300000000, -0.0000988300000000 ] - [ 0.0002150700000000, 0.0016434200000000, 0.0012693900000000 ] - [ 0.0002725900000000, 0.0000922600000000, -0.0000571400000000 ] - [ 0.0005070400000000, -0.0007465400000000, -0.0004501300000000 ] - [ 0.0000007600000000, -0.0000877300000000, -0.0001023200000000 ] - [ 0.0000335400000000, -0.0002437900000000, 0.0002771900000000 ] - [ 0.0000908500000000, -0.0000486300000000, 0.0000442600000000 ] - [ 0.0047969900000000, 0.0070277700000000, 0.0014517800000000 ] - [ 0.0055526500000000, 0.0029653200000000, 0.0023666500000000 ] - [ 0.0047813100000000, 0.0045874700000000, 0.0029155000000000 ] - [ 0.0055490700000000, 0.0029679100000000, 0.0023985800000000 ] - [ 0.0111688200000000, 0.0140693800000000, -0.0047587900000000 ] - [ 0.0065258700000000, -0.0055495400000000, 0.0055693700000000 ] - [ 0.0060326100000000, -0.0049641500000000, 0.0049685700000000 ] - [ 0.0065171200000000, -0.0055484000000000, 0.0055414700000000 ] - [ -0.0327960200000000, -0.0007466000000000, 0.0048582300000000 ] - [ -0.0329153600000000, -0.0000157400000000, 0.0053178900000000 ] - [ -0.0327264200000000, -0.0006069000000000, 0.0059935700000000 ] - [ -0.0328889300000000, -0.0000176100000000, 0.0053443300000000 ] - [ -0.0024395100000000, 0.0082552500000000, -0.0018959500000000 ] - [ -0.0051935400000000, 0.0031756700000000, -0.0024051800000000 ] - [ -0.0055201200000000, 0.0033317600000000, -0.0023711100000000 ] - [ -0.0052450000000000, 0.0031141900000000, -0.0023658900000000 ] - [ 0.0060068500000000, 0.0034364800000000, 0.0055413300000000 ] - [ 0.0065316200000000, 0.0055361500000000, 0.0055860100000000 ] - [ 0.0060254600000000, 0.0047819900000000, 0.0053454300000000 ] - [ 0.0065290700000000, 0.0055400600000000, 0.0055645100000000 ] - [ -0.0064466500000000, -0.0051505300000000, -0.0055333000000000 ] - [ -0.0062357100000000, -0.0053269700000000, -0.0055436000000000 ] - [ -0.0072878900000000, -0.0053784300000000, -0.0052026800000000 ] - [ -0.0060867500000000, -0.0052724400000000, -0.0052297900000000 ] - [ 0.0049993400000000, -0.0040212700000000, 0.0030053400000000 ] - [ 0.0055438700000000, -0.0029551800000000, 0.0023719100000000 ] - [ 0.0047897900000000, -0.0037244600000000, 0.0023109500000000 ] - [ 0.0055355100000000, -0.0029554600000000, 0.0023942900000000 ] - [ 0.0325220700000000, -0.0003672500000000, -0.0053956800000000 ] - [ 0.0331935800000000, -0.0001590200000000, -0.0053824500000000 ] - [ 0.0329544900000000, -0.0000678900000000, -0.0052144800000000 ] - [ 0.0330773300000000, 0.0000044600000000, -0.0052002700000000 ] - [ -0.0062180500000000, 0.0048171800000000, -0.0053367200000000 ] - [ -0.0062780600000000, 0.0052614000000000, -0.0054870700000000 ] - [ -0.0063264800000000, 0.0048279700000000, -0.0054031900000000 ] - [ -0.0063200400000000, 0.0052568500000000, -0.0055450100000000 ] - [ -0.0047124300000000, -0.0039327700000000, -0.0024403000000000 ] - [ -0.0052333200000000, -0.0031399400000000, -0.0024138200000000 ] - [ -0.0053574900000000, -0.0031926000000000, -0.0024220600000000 ] - [ -0.0052955000000000, -0.0030807800000000, -0.0023855300000000 ] - [ -0.0003744700000000, 0.0029720900000000, -0.0005092500000000 ] - [ 0.0000682600000000, 0.0000141200000000, -0.0000328300000000 ] - [ 0.0000099200000000, 0.0003619300000000, -0.0003098900000000 ] - [ 0.0000906400000000, 0.0000183500000000, 0.0000035300000000 ] - [ 0.0057390600000000, 0.0026863200000000, 0.0023385700000000 ] - [ 0.0053679800000000, 0.0026186700000000, 0.0023463700000000 ] - [ 0.0059272700000000, 0.0025384000000000, 0.0023385200000000 ] - [ 0.0054183300000000, 0.0027585600000000, 0.0024072900000000 ] - [ 0.0069048300000000, -0.0059380200000000, 0.0058708000000000 ] - [ 0.0062848900000000, -0.0057646100000000, 0.0055392700000000 ] - [ 0.0068066300000000, -0.0059371300000000, 0.0058578800000000 ] - [ 0.0063881700000000, -0.0056497600000000, 0.0055880800000000 ] - [ -0.0318359000000000, 0.0003775000000000, 0.0056248100000000 ] - [ -0.0332098400000000, 0.0000547000000000, 0.0054201300000000 ] - [ -0.0327445500000000, 0.0002581800000000, 0.0056546300000000 ] - [ -0.0330089400000000, 0.0000396900000000, 0.0053637000000000 ] - [ -0.0062191400000000, 0.0012121300000000, -0.0026165100000000 ] - [ -0.0052796300000000, 0.0029727200000000, -0.0024118900000000 ] - [ -0.0057726200000000, 0.0024780600000000, -0.0022494300000000 ] - [ -0.0052287000000000, 0.0029898500000000, -0.0023914400000000 ] - [ 0.0064272300000000, 0.0063878500000000, 0.0056287500000000 ] - [ 0.0065045300000000, 0.0059229100000000, 0.0056859100000000 ] - [ 0.0065747100000000, 0.0060075700000000, 0.0055960600000000 ] - [ 0.0064379100000000, 0.0056876300000000, 0.0055506900000000 ] - [ -0.0068019900000000, -0.0062272200000000, -0.0056609100000000 ] - [ -0.0062405300000000, -0.0054439100000000, -0.0055010900000000 ] - [ -0.0068057000000000, -0.0065482500000000, -0.0060924100000000 ] - [ -0.0062639000000000, -0.0054394400000000, -0.0055000300000000 ] - [ 0.0052894700000000, -0.0030009700000000, 0.0020587300000000 ] - [ 0.0062356500000000, -0.0028328400000000, 0.0017991200000000 ] - [ 0.0055393400000000, -0.0027909800000000, 0.0025234300000000 ] - [ 0.0059816600000000, -0.0024682100000000, 0.0026362800000000 ] - [ 0.0436004000000000, 0.0131073300000000, -0.0071369800000000 ] - [ 0.0331004000000000, 0.0000118700000000, -0.0053320000000000 ] - [ 0.0325881500000000, -0.0000586900000000, -0.0053751900000000 ] - [ 0.0331054300000000, 0.0000102800000000, -0.0053110200000000 ] - [ -0.0066882900000000, 0.0065844900000000, -0.0060091500000000 ] - [ -0.0062660400000000, 0.0054658600000000, -0.0055026100000000 ] - [ -0.0063562400000000, 0.0112106200000000, -0.0053768900000000 ] - [ -0.0062996100000000, 0.0054579400000000, -0.0054975200000000 ] - [ -0.0041210800000000, -0.0031792400000000, -0.0033435200000000 ] - [ -0.0054321800000000, -0.0029757400000000, -0.0024254800000000 ] - [ -0.0057318600000000, -0.0026182200000000, -0.0021560700000000 ] - [ -0.0052871800000000, -0.0029981900000000, -0.0023688800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0121499600000000, 0.0778003200000000, -0.0118231600000000 ] - [ 0.0090649500000000, -0.0021289400000000, -0.0034133100000000 ] - [ 0.0076543200000000, 0.0002957900000000, -0.0029499600000000 ] - [ 0.0090830500000000, -0.0021791100000000, -0.0033879100000000 ] - [ 0.1009860000000000, -0.0074781700000000, 0.0499407500000000 ] - [ 0.0971091100000000, -0.0000658400000000, 0.0525268000000000 ] - [ 0.0966740100000000, -0.0002314600000000, 0.0531174500000000 ] - [ 0.0972416800000000, -0.0000464400000000, 0.0525663000000000 ] - [ -0.0094703700000000, 0.0027547000000000, 0.0020152700000000 ] - [ -0.0084284700000000, -0.0015987400000000, 0.0033950600000000 ] - [ -0.0086315300000000, 0.0006717200000000, 0.0035844000000000 ] - [ -0.0084393400000000, -0.0017071800000000, 0.0034899400000000 ] - [ 0.0094691600000000, -0.0154721700000000, -0.0045475900000000 ] - [ 0.0090648600000000, 0.0021911300000000, -0.0034067400000000 ] - [ 0.0079540500000000, 0.0006932800000000, -0.0030438400000000 ] - [ 0.0090882200000000, 0.0022311500000000, -0.0033940000000000 ] - [ -0.0969628600000000, -0.0003467400000000, -0.0530882400000000 ] - [ -0.0966759300000000, -0.0003035500000000, -0.0529095100000000 ] - [ -0.0974070100000000, -0.0007954800000000, -0.0520722000000000 ] - [ -0.0965338900000000, -0.0003600700000000, -0.0524290200000000 ] - [ -0.0076463200000000, -0.0006980900000000, 0.0044058600000000 ] - [ -0.0086687500000000, 0.0018444500000000, 0.0034789500000000 ] - [ -0.0057544800000000, -0.0006421600000000, 0.0014826500000000 ] - [ -0.0086214000000000, 0.0018877800000000, 0.0034125600000000 ] - [ 0.0091105800000000, -0.0031661900000000, -0.0034268000000000 ] - [ 0.0088958600000000, -0.0031671100000000, -0.0033826100000000 ] - [ 0.0092330100000000, -0.0029031700000000, -0.0033252300000000 ] - [ 0.0087902500000000, -0.0029027600000000, -0.0035208700000000 ] - [ 0.1044025600000000, 0.0002093000000000, 0.0536973100000000 ] - [ 0.0966547100000000, 0.0001529400000000, 0.0523657700000000 ] - [ 0.0970375400000000, 0.0003175600000000, 0.0528035000000000 ] - [ 0.0970113700000000, 0.0000619000000000, 0.0525571700000000 ] - [ -0.0096199800000000, -0.0042167500000000, 0.0034359500000000 ] - [ -0.0083766200000000, -0.0022886800000000, 0.0034773600000000 ] - [ -0.0092812300000000, -0.0042191000000000, 0.0035884700000000 ] - [ -0.0083981500000000, -0.0022260000000000, 0.0035778500000000 ] - [ 0.0071153500000000, 0.0019402100000000, -0.0034060300000000 ] - [ 0.0113917500000000, 0.0019432200000000, -0.0023047300000000 ] - [ 0.0090091400000000, 0.0026858000000000, -0.0033528200000000 ] - [ 0.0088115100000000, 0.0026850900000000, -0.0034592600000000 ] - [ -0.0961902300000000, 0.0025357700000000, -0.0468972400000000 ] - [ -0.0966777300000000, 0.0000270500000000, -0.0525859400000000 ] - [ -0.1010212000000000, -0.0008149700000000, -0.0594927200000000 ] - [ -0.0967257800000000, 0.0000420400000000, -0.0525440200000000 ] - [ -0.0081626200000000, 0.0017518200000000, 0.0004362400000000 ] - [ -0.0085884900000000, 0.0021627700000000, 0.0034237100000000 ] - [ -0.0041327800000000, 0.0045076300000000, 0.0089312300000000 ] - [ -0.0085005300000000, 0.0021147700000000, 0.0035457100000000 ] - [ -0.0020821400000000, 0.0022370700000000, -0.0011422300000000 ] - [ 0.0001214200000000, 0.0005240200000000, -0.0001173700000000 ] - [ -0.0000429300000000, 0.0007715500000000, 0.0003043100000000 ] - [ -0.0003275900000000, 0.0001965000000000, 0.0002166800000000 ] - [ 0.0015232100000000, -0.0137533900000000, -0.0017365700000000 ] - [ -0.0002209900000000, -0.0001138300000000, 0.0000979100000000 ] - [ -0.0002187300000000, -0.0016483900000000, -0.0012646500000000 ] - [ -0.0002708700000000, -0.0000925100000000, 0.0000562900000000 ] - [ -0.0005084100000000, 0.0007494500000000, 0.0004491600000000 ] - [ -0.0000014000000000, 0.0000881600000000, 0.0001005400000000 ] - [ -0.0000334800000000, 0.0002438200000000, -0.0002748700000000 ] - [ -0.0000891300000000, 0.0000490600000000, -0.0000423400000000 ] - [ 0.0060391200000000, -0.0010506300000000, 0.0033684000000000 ] - [ 0.0052957300000000, 0.0029992400000000, 0.0024178500000000 ] - [ 0.0060659100000000, 0.0013828100000000, 0.0018742500000000 ] - [ 0.0053000900000000, 0.0029966000000000, 0.0023856100000000 ] - [ 0.0016247900000000, -0.0241456300000000, 0.0152625300000000 ] - [ 0.0062896100000000, -0.0054436500000000, 0.0054946100000000 ] - [ 0.0067797500000000, -0.0060247400000000, 0.0060990400000000 ] - [ 0.0062990000000000, -0.0054434200000000, 0.0055230000000000 ] - [ -0.0331714900000000, 0.0007453300000000, 0.0057931100000000 ] - [ -0.0330540000000000, 0.0000153400000000, 0.0053366400000000 ] - [ -0.0332409900000000, 0.0006065400000000, 0.0046616500000000 ] - [ -0.0330803500000000, 0.0000175800000000, 0.0053075100000000 ] - [ -0.0083744000000000, -0.0023118200000000, -0.0028732400000000 ] - [ -0.0056545200000000, 0.0027898800000000, -0.0023777500000000 ] - [ -0.0053293900000000, 0.0026311200000000, -0.0024114700000000 ] - [ -0.0056040000000000, 0.0028503200000000, -0.0024172900000000 ] - [ 0.0068077800000000, 0.0075554400000000, 0.0055231100000000 ] - [ 0.0062835200000000, 0.0054567800000000, 0.0054794400000000 ] - [ 0.0067882300000000, 0.0062105300000000, 0.0057193100000000 ] - [ 0.0062866600000000, 0.0054515000000000, 0.0055007800000000 ] - [ -0.0063681500000000, -0.0058416700000000, -0.0055331800000000 ] - [ -0.0065782700000000, -0.0056643000000000, -0.0055212700000000 ] - [ -0.0055362900000000, -0.0056115700000000, -0.0058628300000000 ] - [ -0.0067275300000000, -0.0057183700000000, -0.0058353700000000 ] - [ 0.0058440800000000, -0.0019402200000000, 0.0017724300000000 ] - [ 0.0053052000000000, -0.0030094400000000, 0.0024115100000000 ] - [ 0.0060598700000000, -0.0022403600000000, 0.0024740000000000 ] - [ 0.0053155300000000, -0.0030089200000000, 0.0023890900000000 ] - [ 0.0334431300000000, 0.0003672000000000, -0.0052552000000000 ] - [ 0.0327769900000000, 0.0001596700000000, -0.0052718700000000 ] - [ 0.0330147800000000, 0.0000683600000000, -0.0054400300000000 ] - [ 0.0328922800000000, -0.0000040100000000, -0.0054522100000000 ] - [ -0.0065973900000000, 0.0061735500000000, -0.0057279700000000 ] - [ -0.0065361000000000, 0.0057303100000000, -0.0055765100000000 ] - [ -0.0064900200000000, 0.0061670200000000, -0.0056625200000000 ] - [ -0.0064937000000000, 0.0057352400000000, -0.0055193100000000 ] - [ -0.0061395100000000, -0.0020316200000000, -0.0023472800000000 ] - [ -0.0056133200000000, -0.0028261600000000, -0.0023702300000000 ] - [ -0.0054913500000000, -0.0027756500000000, -0.0023590600000000 ] - [ -0.0055526400000000, -0.0028840200000000, -0.0023979400000000 ] - [ 0.0004880100000000, -0.0031740500000000, 0.0006678400000000 ] - [ -0.0000671900000000, -0.0000141600000000, 0.0000351000000000 ] - [ -0.0000140700000000, -0.0003654900000000, 0.0003178100000000 ] - [ -0.0000908800000000, -0.0000186100000000, -0.0000052200000000 ] - [ 0.0051108700000000, 0.0032783500000000, 0.0024453100000000 ] - [ 0.0054811700000000, 0.0033463100000000, 0.0024362900000000 ] - [ 0.0049174900000000, 0.0034292800000000, 0.0024447400000000 ] - [ 0.0054311500000000, 0.0032060900000000, 0.0023773500000000 ] - [ 0.0059097400000000, -0.0050542600000000, 0.0051914200000000 ] - [ 0.0065308600000000, -0.0052300600000000, 0.0055265100000000 ] - [ 0.0060077600000000, -0.0050553200000000, 0.0052091100000000 ] - [ 0.0064268400000000, -0.0053431200000000, 0.0054763200000000 ] - [ -0.0341356400000000, -0.0003787300000000, 0.0050260600000000 ] - [ -0.0327590700000000, -0.0000551700000000, 0.0052328600000000 ] - [ -0.0332284200000000, -0.0002627700000000, 0.0049970500000000 ] - [ -0.0329605200000000, -0.0000410100000000, 0.0052893500000000 ] - [ -0.0046309000000000, 0.0047491000000000, -0.0021687100000000 ] - [ -0.0055688300000000, 0.0029925800000000, -0.0023691300000000 ] - [ -0.0050774000000000, 0.0034869100000000, -0.0025315800000000 ] - [ -0.0056214400000000, 0.0029750800000000, -0.0023907200000000 ] - [ 0.0063876100000000, 0.0046019600000000, 0.0054362900000000 ] - [ 0.0063076400000000, 0.0050701000000000, 0.0053828400000000 ] - [ 0.0062404900000000, 0.0049841300000000, 0.0054711400000000 ] - [ 0.0063768200000000, 0.0053047500000000, 0.0055149200000000 ] - [ -0.0060143900000000, -0.0047666200000000, -0.0054051400000000 ] - [ -0.0065735200000000, -0.0055484800000000, -0.0055661300000000 ] - [ -0.0060077000000000, -0.0044509000000000, -0.0049753100000000 ] - [ -0.0065510100000000, -0.0055517600000000, -0.0055661100000000 ] - [ 0.0055638100000000, -0.0029620000000000, 0.0027267600000000 ] - [ 0.0046155500000000, -0.0031316900000000, 0.0029824000000000 ] - [ 0.0053119100000000, -0.0031729000000000, 0.0022579700000000 ] - [ 0.0048700700000000, -0.0034916700000000, 0.0021474600000000 ] - [ 0.0219070100000000, -0.0135602200000000, -0.0033030300000000 ] - [ 0.0328685400000000, -0.0000118800000000, -0.0053209700000000 ] - [ 0.0333822900000000, 0.0000608600000000, -0.0052791000000000 ] - [ 0.0328639900000000, -0.0000099300000000, -0.0053406300000000 ] - [ -0.0061289700000000, 0.0044066300000000, -0.0050552900000000 ] - [ -0.0065478600000000, 0.0055266500000000, -0.0055634100000000 ] - [ -0.0064457400000000, -0.0001884400000000, -0.0056757300000000 ] - [ -0.0065147600000000, 0.0055335600000000, -0.0055677600000000 ] - [ -0.0067802000000000, -0.0027455500000000, -0.0014306200000000 ] - [ -0.0054156900000000, -0.0029894100000000, -0.0023572100000000 ] - [ -0.0051183500000000, -0.0033464200000000, -0.0026271000000000 ] - [ -0.0055619800000000, -0.0029667300000000, -0.0024147200000000 ]- atom: 1 displacement: [ -0.0007525109693321, 0.0000000000000000, 0.0099716461650539 ] forces: - [ 0.0061500700000000, 0.0066910400000000, -0.0683946900000000 ] - [ 0.0088159700000000, -0.0021888100000000, -0.0034864600000000 ] - [ 0.0087491600000000, -0.0027625300000000, -0.0014736700000000 ] - [ 0.0088266100000000, -0.0022131500000000, -0.0033924700000000 ] - [ 0.0994083200000000, -0.0003576500000000, 0.0493375900000000 ] - [ 0.0970192100000000, -0.0000180200000000, 0.0525482500000000 ] - [ 0.0968290300000000, 0.0002407800000000, 0.0534566400000000 ] - [ 0.0969760200000000, 0.0000235100000000, 0.0526092600000000 ] - [ -0.0034644400000000, -0.0035474000000000, 0.0077606700000000 ] - [ -0.0090156000000000, -0.0022556800000000, 0.0035103800000000 ] - [ -0.0127967700000000, -0.0020481800000000, 0.0057876200000000 ] - [ -0.0082287300000000, -0.0021606800000000, 0.0036159900000000 ] - [ 0.0101318200000000, 0.0010325600000000, -0.0074815300000000 ] - [ 0.0088160100000000, 0.0021953100000000, -0.0034863400000000 ] - [ 0.0088635800000000, 0.0026455200000000, -0.0030091800000000 ] - [ 0.0088038200000000, 0.0022068600000000, -0.0033969900000000 ] - [ -0.0966621800000000, 0.0002246200000000, -0.0526037100000000 ] - [ -0.0973740700000000, 0.0001432500000000, -0.0525238400000000 ] - [ -0.0973916700000000, -0.0002711900000000, -0.0522888800000000 ] - [ -0.0965316900000000, -0.0001804600000000, -0.0525684800000000 ] - [ -0.0078772500000000, 0.0013043900000000, 0.0057303300000000 ] - [ -0.0088856100000000, 0.0021540500000000, 0.0034993900000000 ] - [ -0.0120756400000000, 0.0043687500000000, 0.0041944300000000 ] - [ -0.0085776400000000, 0.0022229100000000, 0.0034039200000000 ] - [ 0.0088764000000000, -0.0022313100000000, -0.0037689800000000 ] - [ 0.0086881800000000, -0.0021721500000000, -0.0037840100000000 ] - [ 0.0087686400000000, -0.0021027100000000, -0.0031748100000000 ] - [ 0.0088086900000000, -0.0022634500000000, -0.0031706200000000 ] - [ 0.0959609100000000, 0.0001493900000000, 0.0482431400000000 ] - [ 0.0969466000000000, 0.0002510800000000, 0.0521519000000000 ] - [ 0.0968698500000000, -0.0000704100000000, 0.0529614500000000 ] - [ 0.0970038200000000, -0.0000269000000000, 0.0528106200000000 ] - [ -0.0093044700000000, -0.0021204400000000, 0.0039220500000000 ] - [ -0.0086555100000000, -0.0021762100000000, 0.0035033900000000 ] - [ -0.0082330300000000, -0.0019982400000000, 0.0034396600000000 ] - [ -0.0088440000000000, -0.0020769100000000, 0.0033171000000000 ] - [ 0.0094916900000000, 0.0031130400000000, -0.0048154200000000 ] - [ 0.0069829900000000, 0.0023394100000000, -0.0050106700000000 ] - [ 0.0088972600000000, 0.0021625000000000, -0.0030034400000000 ] - [ 0.0087951700000000, 0.0022521000000000, -0.0030111500000000 ] - [ -0.0991808800000000, -0.0046945500000000, -0.0468580000000000 ] - [ -0.0969174700000000, -0.0000071200000000, -0.0525768000000000 ] - [ -0.0950869500000000, 0.0064583600000000, -0.0435045000000000 ] - [ -0.0969082400000000, 0.0000060000000000, -0.0525494400000000 ] - [ -0.0123891200000000, 0.0052312500000000, 0.0064114700000000 ] - [ -0.0085610800000000, 0.0022129600000000, 0.0035085300000000 ] - [ -0.0060752300000000, -0.0029427200000000, 0.0075349900000000 ] - [ -0.0087817600000000, 0.0021001600000000, 0.0033769700000000 ] - [ -0.0014456200000000, 0.0008869400000000, 0.0012325700000000 ] - [ -0.0000231500000000, -0.0001689900000000, 0.0004779400000000 ] - [ 0.0007471100000000, -0.0007800600000000, -0.0011839700000000 ] - [ -0.0001449000000000, -0.0000971000000000, -0.0001673800000000 ] - [ -0.0010004300000000, 0.0010524400000000, 0.0112646900000000 ] - [ -0.0001845200000000, -0.0000952600000000, 0.0001085100000000 ] - [ -0.0003731100000000, 0.0014141600000000, -0.0031229200000000 ] - [ 0.0000258200000000, 0.0000318600000000, -0.0001251900000000 ] - [ 0.0002062500000000, -0.0006590200000000, 0.0000656600000000 ] - [ -0.0000523400000000, -0.0000083800000000, 0.0000457600000000 ] - [ -0.0001872600000000, 0.0002741100000000, -0.0003232800000000 ] - [ 0.0000599200000000, -0.0000380200000000, -0.0000783100000000 ] - [ 0.0064624900000000, 0.0057422800000000, 0.0093782800000000 ] - [ 0.0054112000000000, 0.0029965000000000, 0.0024137400000000 ] - [ 0.0061377900000000, 0.0023076200000000, 0.0019682500000000 ] - [ 0.0053662800000000, 0.0030064200000000, 0.0023729300000000 ] - [ 0.0042737200000000, -0.0153274700000000, 0.0149844300000000 ] - [ 0.0063863200000000, -0.0054685800000000, 0.0055463200000000 ] - [ 0.0066034500000000, -0.0058491300000000, 0.0044845400000000 ] - [ 0.0063861400000000, -0.0054834300000000, 0.0055017500000000 ] - [ -0.0325726500000000, -0.0007173900000000, 0.0054143500000000 ] - [ -0.0329986400000000, -0.0000083400000000, 0.0053313200000000 ] - [ -0.0329429300000000, 0.0003596600000000, 0.0049673100000000 ] - [ -0.0329890000000000, -0.0000060300000000, 0.0053066300000000 ] - [ -0.0038989400000000, 0.0039708100000000, 0.0030251300000000 ] - [ -0.0054835400000000, 0.0029984300000000, -0.0022929600000000 ] - [ -0.0051855900000000, 0.0029553500000000, -0.0027422900000000 ] - [ -0.0054587800000000, 0.0029674600000000, -0.0024701400000000 ] - [ 0.0062978900000000, 0.0060625900000000, 0.0056982800000000 ] - [ 0.0063891600000000, 0.0054668000000000, 0.0055573200000000 ] - [ 0.0064188700000000, 0.0054005800000000, 0.0053465900000000 ] - [ 0.0063928700000000, 0.0054809000000000, 0.0055117200000000 ] - [ -0.0068430900000000, -0.0058135100000000, -0.0059026000000000 ] - [ -0.0063721300000000, -0.0055054100000000, -0.0056334000000000 ] - [ -0.0056246500000000, -0.0051103200000000, -0.0052670100000000 ] - [ -0.0063379100000000, -0.0054220400000000, -0.0052697100000000 ] - [ 0.0058442200000000, -0.0022469900000000, 0.0021794300000000 ] - [ 0.0054104700000000, -0.0029960400000000, 0.0024038800000000 ] - [ 0.0051931700000000, -0.0034897400000000, 0.0017443300000000 ] - [ 0.0054034200000000, -0.0029900300000000, 0.0023834600000000 ] - [ 0.0328892200000000, -0.0001301500000000, -0.0052547600000000 ] - [ 0.0330801700000000, -0.0000835400000000, -0.0052814600000000 ] - [ 0.0330117900000000, -0.0000120100000000, -0.0053906200000000 ] - [ 0.0329232400000000, 0.0000037500000000, -0.0054159400000000 ] - [ -0.0064680300000000, 0.0056723600000000, -0.0056934900000000 ] - [ -0.0063905300000000, 0.0054763100000000, -0.0056043400000000 ] - [ -0.0062805300000000, 0.0053814700000000, -0.0052994900000000 ] - [ -0.0064309400000000, 0.0055235500000000, -0.0054685900000000 ] - [ -0.0060051700000000, -0.0023146800000000, -0.0022099000000000 ] - [ -0.0054522600000000, -0.0030102500000000, -0.0023360200000000 ] - [ -0.0052501100000000, -0.0031111900000000, -0.0025080000000000 ] - [ -0.0054481100000000, -0.0029760000000000, -0.0024321500000000 ] - [ 0.0004718500000000, -0.0011334200000000, 0.0028948500000000 ] - [ 0.0000022500000000, 0.0000036800000000, 0.0000445400000000 ] - [ 0.0003141500000000, 0.0002195800000000, -0.0007990700000000 ] - [ -0.0000620300000000, -0.0000079100000000, -0.0000460900000000 ] - [ 0.0053326500000000, 0.0030348200000000, 0.0023941600000000 ] - [ 0.0055719700000000, 0.0028884900000000, 0.0023897100000000 ] - [ 0.0058575100000000, 0.0027402200000000, 0.0022445800000000 ] - [ 0.0053167800000000, 0.0030167500000000, 0.0023563200000000 ] - [ 0.0063846800000000, -0.0052580700000000, 0.0056819700000000 ] - [ 0.0064127100000000, -0.0055180400000000, 0.0056065300000000 ] - [ 0.0063920900000000, -0.0055903500000000, 0.0053921300000000 ] - [ 0.0064244800000000, -0.0054814200000000, 0.0054885800000000 ] - [ -0.0338844900000000, 0.0003026800000000, 0.0052313500000000 ] - [ -0.0328102900000000, 0.0000240700000000, 0.0053085200000000 ] - [ -0.0329016300000000, -0.0001602500000000, 0.0052944900000000 ] - [ -0.0331874600000000, -0.0000654300000000, 0.0052684900000000 ] - [ -0.0054500400000000, 0.0035564600000000, -0.0021549700000000 ] - [ -0.0054625200000000, 0.0029726100000000, -0.0023762600000000 ] - [ -0.0054176900000000, 0.0029410600000000, -0.0025618800000000 ] - [ -0.0054034500000000, 0.0029694000000000, -0.0024346200000000 ] - [ 0.0062431500000000, 0.0055379000000000, 0.0059700100000000 ] - [ 0.0058443300000000, 0.0055167000000000, 0.0058217500000000 ] - [ 0.0061820300000000, 0.0055924300000000, 0.0050705600000000 ] - [ 0.0064704000000000, 0.0055046700000000, 0.0054662100000000 ] - [ -0.0061888500000000, -0.0051916400000000, -0.0059796700000000 ] - [ -0.0064391300000000, -0.0055079500000000, -0.0055640800000000 ] - [ -0.0063303300000000, -0.0056753300000000, -0.0047157400000000 ] - [ -0.0064168600000000, -0.0055121200000000, -0.0055182000000000 ] - [ 0.0051613000000000, -0.0031581600000000, 0.0023039800000000 ] - [ 0.0060301200000000, -0.0030366200000000, 0.0021558100000000 ] - [ 0.0056755700000000, -0.0028948300000000, 0.0023166000000000 ] - [ 0.0048055900000000, -0.0027992200000000, 0.0021117800000000 ] - [ 0.0262955100000000, -0.0046941500000000, 0.0002807500000000 ] - [ 0.0329605100000000, -0.0000013500000000, -0.0053112900000000 ] - [ 0.0330507400000000, -0.0001273800000000, -0.0052543500000000 ] - [ 0.0329624000000000, 0.0000044100000000, -0.0053415900000000 ] - [ -0.0060520100000000, 0.0057454000000000, -0.0066473800000000 ] - [ -0.0064514700000000, 0.0055164700000000, -0.0055630300000000 ] - [ 0.0016294100000000, 0.0078445200000000, 0.0028446500000000 ] - [ -0.0064153400000000, 0.0055097100000000, -0.0055229100000000 ] - [ -0.0037896300000000, -0.0051114500000000, -0.0010487700000000 ] - [ -0.0054657000000000, -0.0029961300000000, -0.0023340200000000 ] - [ -0.0053709100000000, -0.0029055700000000, -0.0028600800000000 ] - [ -0.0054293000000000, -0.0029714500000000, -0.0024471100000000 ]- atom: 1 displacement: [ 0.0007525109693321, 0.0000000000000000, -0.0099716461650539 ] forces: - [ 0.0114537700000000, -0.0108812400000000, 0.0614132700000000 ] - [ 0.0086911800000000, -0.0021536900000000, -0.0034256700000000 ] - [ 0.0087628700000000, -0.0015876300000000, -0.0054552500000000 ] - [ 0.0086798000000000, -0.0021275200000000, -0.0035183500000000 ] - [ 0.0945412300000000, 0.0003462200000000, 0.0557676300000000 ] - [ 0.0969082300000000, 0.0000177100000000, 0.0525677300000000 ] - [ 0.0971015300000000, -0.0002383500000000, 0.0516619500000000 ] - [ 0.0969541500000000, -0.0000236800000000, 0.0525070100000000 ] - [ -0.0140074300000000, -0.0007977000000000, -0.0008399300000000 ] - [ -0.0084916600000000, -0.0020860900000000, 0.0033991700000000 ] - [ -0.0046560400000000, -0.0022966400000000, 0.0010849600000000 ] - [ -0.0092812900000000, -0.0021833800000000, 0.0032942400000000 ] - [ 0.0073691900000000, 0.0033436400000000, 0.0005954900000000 ] - [ 0.0086914700000000, 0.0021473100000000, -0.0034259100000000 ] - [ 0.0086500500000000, 0.0017043600000000, -0.0039092100000000 ] - [ 0.0087027300000000, 0.0021340200000000, -0.0035137100000000 ] - [ -0.0972681000000000, -0.0002262200000000, -0.0525159500000000 ] - [ -0.0965563300000000, -0.0001433600000000, -0.0525935200000000 ] - [ -0.0965353700000000, 0.0002709400000000, -0.0528276500000000 ] - [ -0.0974004500000000, 0.0001814900000000, -0.0525496500000000 ] - [ -0.0096361100000000, 0.0030496200000000, 0.0011810700000000 ] - [ -0.0086218600000000, 0.0021879800000000, 0.0034103200000000 ] - [ -0.0054244500000000, -0.0000175500000000, 0.0027364200000000 ] - [ -0.0089317400000000, 0.0021205900000000, 0.0035079000000000 ] - [ 0.0086315400000000, -0.0021111000000000, -0.0031410900000000 ] - [ 0.0088238500000000, -0.0021702700000000, -0.0031269100000000 ] - [ 0.0087410300000000, -0.0022406300000000, -0.0037404300000000 ] - [ 0.0087001800000000, -0.0020784600000000, -0.0037415900000000 ] - [ 0.0979573800000000, -0.0001179800000000, 0.0569199800000000 ] - [ 0.0969834400000000, -0.0002522000000000, 0.0529661000000000 ] - [ 0.0970786000000000, 0.0000690200000000, 0.0521620800000000 ] - [ 0.0969262700000000, 0.0000266400000000, 0.0523061200000000 ] - [ -0.0082041900000000, -0.0022158700000000, 0.0029877400000000 ] - [ -0.0088550400000000, -0.0021676300000000, 0.0034081900000000 ] - [ -0.0092740800000000, -0.0023481500000000, 0.0034739800000000 ] - [ -0.0086639800000000, -0.0022672800000000, 0.0035965400000000 ] - [ 0.0080046100000000, 0.0012186200000000, -0.0020830600000000 ] - [ 0.0105258000000000, 0.0020047000000000, -0.0018983300000000 ] - [ 0.0086131200000000, 0.0021811300000000, -0.0039089700000000 ] - [ 0.0087121300000000, 0.0020905900000000, -0.0039008300000000 ] - [ -0.0947861600000000, 0.0046444600000000, -0.0582540900000000 ] - [ -0.0970143200000000, 0.0000071800000000, -0.0525398800000000 ] - [ -0.0989011400000000, -0.0065786100000000, -0.0617945100000000 ] - [ -0.0970231700000000, -0.0000057800000000, -0.0525668100000000 ] - [ -0.0051427700000000, -0.0008752000000000, 0.0005089700000000 ] - [ -0.0089523100000000, 0.0021295400000000, 0.0034021300000000 ] - [ -0.0114390300000000, 0.0073092200000000, -0.0006117900000000 ] - [ -0.0087278700000000, 0.0022429000000000, 0.0035354900000000 ] - [ 0.0014400300000000, -0.0008913700000000, -0.0012359300000000 ] - [ 0.0000244900000000, 0.0001717200000000, -0.0004817100000000 ] - [ -0.0007445600000000, 0.0007742100000000, 0.0011800100000000 ] - [ 0.0001454300000000, 0.0000977900000000, 0.0001692300000000 ] - [ 0.0012132500000000, -0.0013312800000000, -0.0115629500000000 ] - [ 0.0001858500000000, 0.0000957800000000, -0.0001091800000000 ] - [ 0.0003681400000000, -0.0014059800000000, 0.0031335300000000 ] - [ -0.0000247600000000, -0.0000319500000000, 0.0001254800000000 ] - [ -0.0002082400000000, 0.0006601200000000, -0.0000641700000000 ] - [ 0.0000530300000000, 0.0000092900000000, -0.0000451100000000 ] - [ 0.0001866700000000, -0.0002746100000000, 0.0003231500000000 ] - [ -0.0000599400000000, 0.0000386100000000, 0.0000782800000000 ] - [ 0.0044141800000000, 0.0003779600000000, -0.0039848300000000 ] - [ 0.0054394100000000, 0.0029684700000000, 0.0023721100000000 ] - [ 0.0047089500000000, 0.0036619000000000, 0.0028364700000000 ] - [ 0.0054841900000000, 0.0029590100000000, 0.0024132400000000 ] - [ 0.0085067300000000, 0.0046305200000000, -0.0040030200000000 ] - [ 0.0064268100000000, -0.0055217100000000, 0.0055198000000000 ] - [ 0.0062082700000000, -0.0051394000000000, 0.0065801900000000 ] - [ 0.0064273500000000, -0.0055064100000000, 0.0055648300000000 ] - [ -0.0333868300000000, 0.0007113500000000, 0.0052369900000000 ] - [ -0.0329643200000000, 0.0000082100000000, 0.0053180200000000 ] - [ -0.0330204200000000, -0.0003581500000000, 0.0056774400000000 ] - [ -0.0329739500000000, 0.0000061000000000, 0.0053435800000000 ] - [ -0.0068670700000000, 0.0020167600000000, -0.0077587300000000 ] - [ -0.0053664700000000, 0.0029674400000000, -0.0024919800000000 ] - [ -0.0056682000000000, 0.0030092500000000, -0.0020398400000000 ] - [ -0.0053916600000000, 0.0029977300000000, -0.0023141800000000 ] - [ 0.0065134200000000, 0.0049307600000000, 0.0053676600000000 ] - [ 0.0064233700000000, 0.0055233800000000, 0.0055102000000000 ] - [ 0.0063930000000000, 0.0055880500000000, 0.0057206300000000 ] - [ 0.0064201500000000, 0.0055087500000000, 0.0055555500000000 ] - [ -0.0059712400000000, -0.0051765200000000, -0.0051656100000000 ] - [ -0.0064399000000000, -0.0054835800000000, -0.0054334500000000 ] - [ -0.0071948400000000, -0.0058885700000000, -0.0057999800000000 ] - [ -0.0064739000000000, -0.0055673500000000, -0.0057967300000000 ] - [ 0.0050078600000000, -0.0037163600000000, 0.0026062000000000 ] - [ 0.0054402200000000, -0.0029690200000000, 0.0023807100000000 ] - [ 0.0056601500000000, -0.0024707400000000, 0.0030489000000000 ] - [ 0.0054477100000000, -0.0029754600000000, 0.0024014400000000 ] - [ 0.0330751800000000, 0.0001325600000000, -0.0053946100000000 ] - [ 0.0328829600000000, 0.0000835300000000, -0.0053688600000000 ] - [ 0.0329513900000000, 0.0000122100000000, -0.0052590300000000 ] - [ 0.0330395100000000, -0.0000039400000000, -0.0052337600000000 ] - [ -0.0063443200000000, 0.0053155400000000, -0.0053717000000000 ] - [ -0.0064217200000000, 0.0055126800000000, -0.0054619100000000 ] - [ -0.0065329300000000, 0.0056103200000000, -0.0057695400000000 ] - [ -0.0063813400000000, 0.0054658700000000, -0.0055983700000000 ] - [ -0.0048466100000000, -0.0036468000000000, -0.0025744200000000 ] - [ -0.0053976400000000, -0.0029553400000000, -0.0024499800000000 ] - [ -0.0055991600000000, -0.0028546200000000, -0.0022738200000000 ] - [ -0.0054018700000000, -0.0029891100000000, -0.0023529900000000 ] - [ -0.0003948300000000, 0.0009959600000000, -0.0027569000000000 ] - [ -0.0000017600000000, -0.0000036600000000, -0.0000439800000000 ] - [ -0.0003146500000000, -0.0002201200000000, 0.0008057400000000 ] - [ 0.0000619900000000, 0.0000081300000000, 0.0000458700000000 ] - [ 0.0055191400000000, 0.0029293700000000, 0.0023915300000000 ] - [ 0.0052782400000000, 0.0030762200000000, 0.0023969600000000 ] - [ 0.0049872000000000, 0.0032285800000000, 0.0025416100000000 ] - [ 0.0055330300000000, 0.0029483000000000, 0.0024293400000000 ] - [ 0.0064298500000000, -0.0057344100000000, 0.0053802200000000 ] - [ 0.0063999600000000, -0.0054719100000000, 0.0054593000000000 ] - [ 0.0064213000000000, -0.0054003400000000, 0.0056775000000000 ] - [ 0.0063887200000000, -0.0055082100000000, 0.0055778600000000 ] - [ -0.0320812700000000, -0.0003019100000000, 0.0054148700000000 ] - [ -0.0331527500000000, -0.0000241900000000, 0.0053414600000000 ] - [ -0.0330647900000000, 0.0001582200000000, 0.0053579500000000 ] - [ -0.0327750900000000, 0.0000650400000000, 0.0053833400000000 ] - [ -0.0054047000000000, 0.0024043500000000, -0.0026291300000000 ] - [ -0.0053872000000000, 0.0029931000000000, -0.0024079900000000 ] - [ -0.0054331300000000, 0.0030241600000000, -0.0022220400000000 ] - [ -0.0054479800000000, 0.0029959200000000, -0.0023487600000000 ] - [ 0.0065697100000000, 0.0054513600000000, 0.0050939500000000 ] - [ 0.0069734100000000, 0.0054733600000000, 0.0052452400000000 ] - [ 0.0066297800000000, 0.0053977200000000, 0.0059968200000000 ] - [ 0.0063429900000000, 0.0054848500000000, 0.0056016300000000 ] - [ -0.0066228100000000, -0.0057967400000000, -0.0050892300000000 ] - [ -0.0063732100000000, -0.0054812500000000, -0.0055037900000000 ] - [ -0.0064827300000000, -0.0053094000000000, -0.0063537400000000 ] - [ -0.0063954600000000, -0.0054769300000000, -0.0055496100000000 ] - [ 0.0056977900000000, -0.0028027400000000, 0.0024858000000000 ] - [ 0.0048197400000000, -0.0029285900000000, 0.0026297800000000 ] - [ 0.0051750700000000, -0.0030706000000000, 0.0024674000000000 ] - [ 0.0060442300000000, -0.0031657100000000, 0.0026728400000000 ] - [ 0.0395906400000000, 0.0045753100000000, -0.0109009900000000 ] - [ 0.0330022500000000, 0.0000012600000000, -0.0053398500000000 ] - [ 0.0329121700000000, 0.0001304100000000, -0.0053984600000000 ] - [ 0.0330003300000000, -0.0000041900000000, -0.0053068100000000 ] - [ -0.0067617400000000, 0.0052490900000000, -0.0044256200000000 ] - [ -0.0063607700000000, 0.0054726400000000, -0.0055036400000000 ] - [ -0.0148000800000000, 0.0031023700000000, -0.0142274800000000 ] - [ -0.0063969400000000, 0.0054795700000000, -0.0055437800000000 ] - [ -0.0070584200000000, -0.0008439100000000, -0.0037081500000000 ] - [ -0.0053830500000000, -0.0029693100000000, -0.0024519800000000 ] - [ -0.0054780600000000, -0.0030606100000000, -0.0019256900000000 ] - [ -0.0054211600000000, -0.0029938300000000, -0.0023379900000000 ]- atom: 5 displacement: [ 0.0099998730498564, 0.0000000000000000, 0.0000503883593317 ] forces: - [ 0.0071618500000000, -0.0061913400000000, -0.0011487500000000 ] - [ 0.0094031000000000, -0.0023182300000000, -0.0033529600000000 ] - [ 0.0081611700000000, -0.0018810400000000, -0.0036330200000000 ] - [ 0.0091452800000000, -0.0024471100000000, -0.0034161200000000 ] - [ -0.0115178400000000, 0.0000000000000000, 0.0351003100000000 ] - [ 0.0975366400000000, 0.0000000000000000, 0.0524820800000000 ] - [ 0.0973504700000000, 0.0000000000000000, 0.0546087900000000 ] - [ 0.0972359300000000, 0.0000000000000000, 0.0525258500000000 ] - [ -0.0086457600000000, -0.0021712900000000, 0.0037695700000000 ] - [ -0.0081865700000000, -0.0018836100000000, 0.0030896400000000 ] - [ -0.0084527600000000, -0.0026153500000000, 0.0030519700000000 ] - [ -0.0083763800000000, -0.0017392000000000, 0.0039193400000000 ] - [ 0.0071618500000000, 0.0061913400000000, -0.0011487500000000 ] - [ 0.0094031000000000, 0.0023182300000000, -0.0033529600000000 ] - [ 0.0081611700000000, 0.0018810400000000, -0.0036330200000000 ] - [ 0.0091452800000000, 0.0024471100000000, -0.0034161200000000 ] - [ -0.0963153100000000, 0.0000000000000000, -0.0518542600000000 ] - [ -0.0970166800000000, 0.0000000000000000, -0.0561530700000000 ] - [ -0.0963395900000000, 0.0000000000000000, -0.0530599200000000 ] - [ -0.0916508500000000, 0.0000000000000000, -0.0456361500000000 ] - [ -0.0086457600000000, 0.0021712900000000, 0.0037695700000000 ] - [ -0.0081865700000000, 0.0018836100000000, 0.0030896400000000 ] - [ -0.0084527600000000, 0.0026153500000000, 0.0030519700000000 ] - [ -0.0083763800000000, 0.0017392000000000, 0.0039193400000000 ] - [ 0.0098554000000000, -0.0018571800000000, -0.0033974100000000 ] - [ 0.0172748500000000, -0.0095192900000000, -0.0038187700000000 ] - [ 0.0090002600000000, -0.0022171800000000, -0.0033977800000000 ] - [ 0.0092598700000000, -0.0022418400000000, -0.0035188600000000 ] - [ 0.0973932500000000, 0.0000000000000000, 0.0525729700000000 ] - [ 0.0973993100000000, 0.0000000000000000, 0.0524649600000000 ] - [ 0.0970148900000000, 0.0000000000000000, 0.0524645000000000 ] - [ 0.0970190400000000, 0.0000000000000000, 0.0525764500000000 ] - [ -0.0130631400000000, -0.0013619100000000, 0.0009469300000000 ] - [ -0.0082449100000000, -0.0018821100000000, 0.0035438100000000 ] - [ -0.0136771100000000, -0.0062433500000000, 0.0050395800000000 ] - [ -0.0081984900000000, -0.0019314600000000, 0.0035585500000000 ] - [ 0.0098554000000000, 0.0018571800000000, -0.0033974100000000 ] - [ 0.0172748500000000, 0.0095192900000000, -0.0038187700000000 ] - [ 0.0090002600000000, 0.0022171800000000, -0.0033977800000000 ] - [ 0.0092598700000000, 0.0022418400000000, -0.0035188600000000 ] - [ -0.0977773700000000, 0.0000000000000000, -0.0526072400000000 ] - [ -0.0965994900000000, 0.0000000000000000, -0.0526284800000000 ] - [ -0.0977744500000000, 0.0000000000000000, -0.0527568300000000 ] - [ -0.0965950300000000, 0.0000000000000000, -0.0525705100000000 ] - [ -0.0130631400000000, 0.0013619100000000, 0.0009469300000000 ] - [ -0.0082449100000000, 0.0018821100000000, 0.0035438100000000 ] - [ -0.0136771100000000, 0.0062433500000000, 0.0050395800000000 ] - [ -0.0081984900000000, 0.0019314600000000, 0.0035585500000000 ] - [ 0.0418662200000000, 0.0000000000000000, 0.0305821400000000 ] - [ -0.0008631000000000, 0.0000000000000000, 0.0002154400000000 ] - [ 0.0015257700000000, 0.0000000000000000, 0.0012100800000000 ] - [ -0.0004971100000000, 0.0000000000000000, -0.0001093400000000 ] - [ -0.0000097600000000, 0.0000000000000000, 0.0003934600000000 ] - [ -0.0005972600000000, 0.0000000000000000, -0.0000304800000000 ] - [ 0.0003069000000000, 0.0000000000000000, -0.0001958600000000 ] - [ -0.0004427900000000, 0.0000000000000000, 0.0002484200000000 ] - [ 0.0153537900000000, 0.0000000000000000, -0.0105409900000000 ] - [ -0.0003797500000000, 0.0000000000000000, -0.0001236700000000 ] - [ 0.0006360600000000, 0.0000000000000000, 0.0003417900000000 ] - [ -0.0001687100000000, 0.0000000000000000, 0.0000382900000000 ] - [ 0.0060259500000000, 0.0032946500000000, 0.0023124300000000 ] - [ 0.0051644400000000, 0.0030871600000000, 0.0024429300000000 ] - [ 0.0054334200000000, 0.0033388200000000, 0.0029397700000000 ] - [ 0.0051792700000000, 0.0030790300000000, 0.0023539500000000 ] - [ 0.0210694100000000, -0.0145861200000000, -0.0025991300000000 ] - [ 0.0061441200000000, -0.0053288600000000, 0.0054530000000000 ] - [ 0.0067967900000000, -0.0054692500000000, 0.0054318700000000 ] - [ 0.0062380800000000, -0.0053374900000000, 0.0054732000000000 ] - [ -0.0277320500000000, 0.0000000000000000, 0.0072476000000000 ] - [ -0.0332091100000000, 0.0000000000000000, 0.0052947000000000 ] - [ -0.0318222300000000, 0.0000000000000000, 0.0051357000000000 ] - [ -0.0331346200000000, 0.0000000000000000, 0.0052775900000000 ] - [ -0.0056965200000000, 0.0033343100000000, -0.0025521700000000 ] - [ -0.0057721400000000, 0.0027511200000000, -0.0023522800000000 ] - [ -0.0054192800000000, 0.0029519100000000, -0.0023267000000000 ] - [ -0.0055100800000000, 0.0029644400000000, -0.0024235400000000 ] - [ 0.0210694100000000, 0.0145861200000000, -0.0025991300000000 ] - [ 0.0061441200000000, 0.0053288600000000, 0.0054530000000000 ] - [ 0.0067967900000000, 0.0054692500000000, 0.0054318700000000 ] - [ 0.0062380800000000, 0.0053374900000000, 0.0054732000000000 ] - [ -0.0064965700000000, -0.0055026500000000, -0.0056381200000000 ] - [ -0.0067000300000000, -0.0058772400000000, -0.0054147900000000 ] - [ -0.0068233900000000, -0.0054583600000000, -0.0054425400000000 ] - [ -0.0069705000000000, -0.0058778900000000, -0.0061990500000000 ] - [ 0.0060259500000000, -0.0032946500000000, 0.0023124300000000 ] - [ 0.0051644400000000, -0.0030871600000000, 0.0024429300000000 ] - [ 0.0054334200000000, -0.0033388200000000, 0.0029397700000000 ] - [ 0.0051792700000000, -0.0030790300000000, 0.0023539500000000 ] - [ 0.0319041300000000, 0.0000000000000000, -0.0053855200000000 ] - [ 0.0321718600000000, 0.0000000000000000, -0.0048024300000000 ] - [ 0.0329641900000000, 0.0000000000000000, -0.0053217400000000 ] - [ 0.0334210200000000, 0.0000000000000000, -0.0049328400000000 ] - [ -0.0064965700000000, 0.0055026500000000, -0.0056381200000000 ] - [ -0.0067000300000000, 0.0058772400000000, -0.0054147900000000 ] - [ -0.0068233900000000, 0.0054583600000000, -0.0054425400000000 ] - [ -0.0069705000000000, 0.0058778900000000, -0.0061990500000000 ] - [ -0.0056965200000000, -0.0033343100000000, -0.0025521700000000 ] - [ -0.0057721400000000, -0.0027511200000000, -0.0023522800000000 ] - [ -0.0054192800000000, -0.0029519100000000, -0.0023267000000000 ] - [ -0.0055100800000000, -0.0029644400000000, -0.0024235400000000 ] - [ -0.0000966200000000, 0.0000000000000000, -0.0003057800000000 ] - [ -0.0002242900000000, 0.0000000000000000, 0.0000705500000000 ] - [ 0.0000435200000000, 0.0000000000000000, 0.0000749500000000 ] - [ -0.0001258200000000, 0.0000000000000000, -0.0000439600000000 ] - [ 0.0052329600000000, 0.0029979300000000, 0.0023045100000000 ] - [ 0.0051796300000000, 0.0037312300000000, 0.0033144100000000 ] - [ 0.0051809400000000, 0.0030084800000000, 0.0024700800000000 ] - [ 0.0056349700000000, 0.0028836300000000, 0.0024496500000000 ] - [ 0.0062517600000000, -0.0055248000000000, 0.0055471300000000 ] - [ 0.0062160600000000, -0.0048670700000000, 0.0050790600000000 ] - [ 0.0063224400000000, -0.0054569800000000, 0.0054844400000000 ] - [ 0.0064324500000000, -0.0054969700000000, 0.0056534400000000 ] - [ -0.0330612500000000, 0.0000000000000000, 0.0052266700000000 ] - [ -0.0331070900000000, 0.0000000000000000, 0.0053602100000000 ] - [ -0.0330594300000000, 0.0000000000000000, 0.0053933400000000 ] - [ -0.0329648600000000, 0.0000000000000000, 0.0051959200000000 ] - [ -0.0006501900000000, 0.0021992100000000, -0.0015039900000000 ] - [ -0.0057272400000000, 0.0028490500000000, -0.0023958000000000 ] - [ -0.0053014700000000, 0.0031919200000000, -0.0029766500000000 ] - [ -0.0056253800000000, 0.0028735300000000, -0.0023786700000000 ] - [ 0.0062517600000000, 0.0055248000000000, 0.0055471300000000 ] - [ 0.0062160600000000, 0.0048670700000000, 0.0050790600000000 ] - [ 0.0063224400000000, 0.0054569800000000, 0.0054844400000000 ] - [ 0.0064324500000000, 0.0054969700000000, 0.0056534400000000 ] - [ -0.0061401400000000, -0.0052767600000000, -0.0054183700000000 ] - [ -0.0065891800000000, -0.0056675300000000, -0.0055918200000000 ] - [ -0.0052965300000000, -0.0056386500000000, -0.0049525700000000 ] - [ -0.0066245000000000, -0.0056600300000000, -0.0056208400000000 ] - [ 0.0052329600000000, -0.0029979300000000, 0.0023045100000000 ] - [ 0.0051796300000000, -0.0037312300000000, 0.0033144100000000 ] - [ 0.0051809400000000, -0.0030084800000000, 0.0024700800000000 ] - [ 0.0056349700000000, -0.0028836300000000, 0.0024496500000000 ] - [ 0.0338905500000000, 0.0000000000000000, -0.0054706800000000 ] - [ 0.0328264100000000, 0.0000000000000000, -0.0053424500000000 ] - [ 0.0332074400000000, 0.0000000000000000, -0.0051731000000000 ] - [ 0.0328626800000000, 0.0000000000000000, -0.0053746100000000 ] - [ -0.0061401400000000, 0.0052767600000000, -0.0054183700000000 ] - [ -0.0065891800000000, 0.0056675300000000, -0.0055918200000000 ] - [ -0.0052965300000000, 0.0056386500000000, -0.0049525700000000 ] - [ -0.0066245000000000, 0.0056600300000000, -0.0056208400000000 ] - [ -0.0006501900000000, -0.0021992100000000, -0.0015039900000000 ] - [ -0.0057272400000000, -0.0028490500000000, -0.0023958000000000 ] - [ -0.0053014700000000, -0.0031919200000000, -0.0029766500000000 ] - [ -0.0056253800000000, -0.0028735300000000, -0.0023786700000000 ]- atom: 5 displacement: [ -0.0099998730498564, 0.0000000000000000, -0.0000503883593317 ] forces: - [ 0.0103362000000000, 0.0018382400000000, -0.0057579600000000 ] - [ 0.0081040500000000, -0.0020322300000000, -0.0035632000000000 ] - [ 0.0093424100000000, -0.0024638900000000, -0.0032812100000000 ] - [ 0.0083592200000000, -0.0018994800000000, -0.0034961000000000 ] - [ 0.2072044300000000, 0.0000000000000000, 0.0713446700000000 ] - [ 0.0963879300000000, 0.0000000000000000, 0.0526309400000000 ] - [ 0.0965688100000000, 0.0000000000000000, 0.0505274800000000 ] - [ 0.0966926300000000, 0.0000000000000000, 0.0525922600000000 ] - [ -0.0088627000000000, -0.0021777400000000, 0.0031459600000000 ] - [ -0.0093155300000000, -0.0024619400000000, 0.0038238400000000 ] - [ -0.0090563700000000, -0.0017354900000000, 0.0038617000000000 ] - [ -0.0091283900000000, -0.0026124100000000, 0.0029938300000000 ] - [ 0.0103362000000000, -0.0018382400000000, -0.0057579600000000 ] - [ 0.0081040500000000, 0.0020322300000000, -0.0035632000000000 ] - [ 0.0093424100000000, 0.0024638900000000, -0.0032812100000000 ] - [ 0.0083592200000000, 0.0018994800000000, -0.0034961000000000 ] - [ -0.0976096500000000, 0.0000000000000000, -0.0532555500000000 ] - [ -0.0969289100000000, 0.0000000000000000, -0.0489880900000000 ] - [ -0.0975829300000000, 0.0000000000000000, -0.0520565400000000 ] - [ -0.1024136100000000, 0.0000000000000000, -0.0596368400000000 ] - [ -0.0088627000000000, 0.0021777400000000, 0.0031459600000000 ] - [ -0.0093155300000000, 0.0024619400000000, 0.0038238400000000 ] - [ -0.0090563700000000, 0.0017354900000000, 0.0038617000000000 ] - [ -0.0091283900000000, 0.0026124100000000, 0.0029938300000000 ] - [ 0.0076565100000000, -0.0024855500000000, -0.0035193500000000 ] - [ 0.0000767900000000, 0.0053055000000000, -0.0030705100000000 ] - [ 0.0085042300000000, -0.0021292000000000, -0.0035153600000000 ] - [ 0.0082530000000000, -0.0021079300000000, -0.0033918500000000 ] - [ 0.0965317100000000, 0.0000000000000000, 0.0525423000000000 ] - [ 0.0965256100000000, 0.0000000000000000, 0.0526491800000000 ] - [ 0.0969023100000000, 0.0000000000000000, 0.0526447200000000 ] - [ 0.0969121600000000, 0.0000000000000000, 0.0525429100000000 ] - [ -0.0044332400000000, -0.0029701800000000, 0.0059497800000000 ] - [ -0.0092590600000000, -0.0024629100000000, 0.0033702300000000 ] - [ -0.0038226300000000, 0.0018862300000000, 0.0018673700000000 ] - [ -0.0093066600000000, -0.0024170600000000, 0.0033561900000000 ] - [ 0.0076565100000000, 0.0024855500000000, -0.0035193500000000 ] - [ 0.0000767900000000, -0.0053055000000000, -0.0030705100000000 ] - [ 0.0085042300000000, 0.0021292000000000, -0.0035153600000000 ] - [ 0.0082530000000000, 0.0021079300000000, -0.0033918500000000 ] - [ -0.0961437000000000, 0.0000000000000000, -0.0525050400000000 ] - [ -0.0973309700000000, 0.0000000000000000, -0.0524899700000000 ] - [ -0.0961523700000000, 0.0000000000000000, -0.0523613500000000 ] - [ -0.0973253900000000, 0.0000000000000000, -0.0525417700000000 ] - [ -0.0044332400000000, 0.0029701800000000, 0.0059497800000000 ] - [ -0.0092590600000000, 0.0024629100000000, 0.0033702300000000 ] - [ -0.0038226300000000, -0.0018862300000000, 0.0018673700000000 ] - [ -0.0093066600000000, 0.0024170600000000, 0.0033561900000000 ] - [ -0.0429479600000000, 0.0000000000000000, -0.0317367700000000 ] - [ 0.0008615500000000, 0.0000000000000000, -0.0002135100000000 ] - [ -0.0015250500000000, 0.0000000000000000, -0.0012287200000000 ] - [ 0.0004955300000000, 0.0000000000000000, 0.0001074400000000 ] - [ 0.0000142900000000, 0.0000000000000000, -0.0003943100000000 ] - [ 0.0005952700000000, 0.0000000000000000, 0.0000304100000000 ] - [ -0.0003029400000000, 0.0000000000000000, 0.0001951400000000 ] - [ 0.0004415300000000, 0.0000000000000000, -0.0002501200000000 ] - [ -0.0159271000000000, 0.0000000000000000, 0.0110055600000000 ] - [ 0.0003769700000000, 0.0000000000000000, 0.0001212700000000 ] - [ -0.0006287300000000, 0.0000000000000000, -0.0003263900000000 ] - [ 0.0001693700000000, 0.0000000000000000, -0.0000371900000000 ] - [ 0.0048214700000000, 0.0026711000000000, 0.0024682000000000 ] - [ 0.0056814800000000, 0.0028792300000000, 0.0023393000000000 ] - [ 0.0054117500000000, 0.0026266700000000, 0.0018400700000000 ] - [ 0.0056653300000000, 0.0028876400000000, 0.0024290100000000 ] - [ -0.0080423200000000, 0.0032611700000000, 0.0134070100000000 ] - [ 0.0066779200000000, -0.0056684600000000, 0.0056119700000000 ] - [ 0.0060241600000000, -0.0055267700000000, 0.0056339200000000 ] - [ 0.0065843800000000, -0.0056608700000000, 0.0055920000000000 ] - [ -0.0382605200000000, 0.0000000000000000, 0.0034320100000000 ] - [ -0.0327666000000000, 0.0000000000000000, 0.0053569700000000 ] - [ -0.0341452700000000, 0.0000000000000000, 0.0055107800000000 ] - [ -0.0328425500000000, 0.0000000000000000, 0.0053756300000000 ] - [ -0.0051476000000000, 0.0026350700000000, -0.0022297500000000 ] - [ -0.0050690400000000, 0.0032191500000000, -0.0024314200000000 ] - [ -0.0054243800000000, 0.0030138000000000, -0.0024553400000000 ] - [ -0.0053368800000000, 0.0030014000000000, -0.0023582900000000 ] - [ -0.0080423200000000, -0.0032611700000000, 0.0134070100000000 ] - [ 0.0066779200000000, 0.0056684600000000, 0.0056119700000000 ] - [ 0.0060241600000000, 0.0055267700000000, 0.0056339200000000 ] - [ 0.0065843800000000, 0.0056608700000000, 0.0055920000000000 ] - [ -0.0063255400000000, -0.0054952100000000, -0.0054283300000000 ] - [ -0.0061215000000000, -0.0051202300000000, -0.0056496000000000 ] - [ -0.0059998000000000, -0.0055372200000000, -0.0056209500000000 ] - [ -0.0058474700000000, -0.0051159100000000, -0.0048644000000000 ] - [ 0.0048214700000000, -0.0026711000000000, 0.0024682000000000 ] - [ 0.0056814800000000, -0.0028792300000000, 0.0023393000000000 ] - [ 0.0054117500000000, -0.0026266700000000, 0.0018400700000000 ] - [ 0.0056653300000000, -0.0028876400000000, 0.0024290100000000 ] - [ 0.0340578300000000, 0.0000000000000000, -0.0052684800000000 ] - [ 0.0338029000000000, 0.0000000000000000, -0.0058449500000000 ] - [ 0.0330115800000000, 0.0000000000000000, -0.0053302600000000 ] - [ 0.0325512800000000, 0.0000000000000000, -0.0057500400000000 ] - [ -0.0063255400000000, 0.0054952100000000, -0.0054283300000000 ] - [ -0.0061215000000000, 0.0051202300000000, -0.0056496000000000 ] - [ -0.0059998000000000, 0.0055372200000000, -0.0056209500000000 ] - [ -0.0058474700000000, 0.0051159100000000, -0.0048644000000000 ] - [ -0.0051476000000000, -0.0026350700000000, -0.0022297500000000 ] - [ -0.0050690400000000, -0.0032191500000000, -0.0024314200000000 ] - [ -0.0054243800000000, -0.0030138000000000, -0.0024553400000000 ] - [ -0.0053368800000000, -0.0030014000000000, -0.0023582900000000 ] - [ 0.0000977200000000, 0.0000000000000000, 0.0003035700000000 ] - [ 0.0002238300000000, 0.0000000000000000, -0.0000700800000000 ] - [ -0.0000418300000000, 0.0000000000000000, -0.0000749100000000 ] - [ 0.0001242800000000, 0.0000000000000000, 0.0000443900000000 ] - [ 0.0056110900000000, 0.0029695500000000, 0.0024764400000000 ] - [ 0.0056657200000000, 0.0022255900000000, 0.0014668500000000 ] - [ 0.0056637900000000, 0.0029589900000000, 0.0023135200000000 ] - [ 0.0052060600000000, 0.0030807700000000, 0.0023337300000000 ] - [ 0.0065707400000000, -0.0054736900000000, 0.0055188200000000 ] - [ 0.0066037300000000, -0.0061325500000000, 0.0059831600000000 ] - [ 0.0064997400000000, -0.0055393100000000, 0.0055817700000000 ] - [ 0.0063880900000000, -0.0054991100000000, 0.0054118300000000 ] - [ -0.0329143400000000, 0.0000000000000000, 0.0054248300000000 ] - [ -0.0328710800000000, 0.0000000000000000, 0.0052935900000000 ] - [ -0.0329165100000000, 0.0000000000000000, 0.0052582900000000 ] - [ -0.0330123000000000, 0.0000000000000000, 0.0054583600000000 ] - [ -0.0102350400000000, 0.0038113800000000, -0.0032662100000000 ] - [ -0.0051188800000000, 0.0031177600000000, -0.0023873600000000 ] - [ -0.0055436900000000, 0.0027738900000000, -0.0018038900000000 ] - [ -0.0052194800000000, 0.0030937400000000, -0.0024026200000000 ] - [ 0.0065707400000000, 0.0054736900000000, 0.0055188200000000 ] - [ 0.0066037300000000, 0.0061325500000000, 0.0059831600000000 ] - [ 0.0064997400000000, 0.0055393100000000, 0.0055817700000000 ] - [ 0.0063880900000000, 0.0054991100000000, 0.0054118300000000 ] - [ -0.0066806000000000, -0.0057185800000000, -0.0056471700000000 ] - [ -0.0062326100000000, -0.0053297700000000, -0.0054737500000000 ] - [ -0.0075218200000000, -0.0053613600000000, -0.0061086400000000 ] - [ -0.0061973200000000, -0.0053377000000000, -0.0054442800000000 ] - [ 0.0056110900000000, -0.0029695500000000, 0.0024764400000000 ] - [ 0.0056657200000000, -0.0022255900000000, 0.0014668500000000 ] - [ 0.0056637900000000, -0.0029589900000000, 0.0023135200000000 ] - [ 0.0052060600000000, -0.0030807700000000, 0.0023337300000000 ] - [ 0.0320891700000000, 0.0000000000000000, -0.0051813000000000 ] - [ 0.0331501900000000, 0.0000000000000000, -0.0053120200000000 ] - [ 0.0327690300000000, 0.0000000000000000, -0.0054778400000000 ] - [ 0.0331137600000000, 0.0000000000000000, -0.0052785700000000 ] - [ -0.0066806000000000, 0.0057185800000000, -0.0056471700000000 ] - [ -0.0062326100000000, 0.0053297700000000, -0.0054737500000000 ] - [ -0.0075218200000000, 0.0053613600000000, -0.0061086400000000 ] - [ -0.0061973200000000, 0.0053377000000000, -0.0054442800000000 ] - [ -0.0102350400000000, -0.0038113800000000, -0.0032662100000000 ] - [ -0.0051188800000000, -0.0031177600000000, -0.0023873600000000 ] - [ -0.0055436900000000, -0.0027738900000000, -0.0018038900000000 ] - [ -0.0052194800000000, -0.0030937400000000, -0.0024026200000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0058018400000000, 0.0053121400000000, -0.0040395400000000 ] - [ 0.0087834100000000, -0.0021060200000000, -0.0034694200000000 ] - [ 0.0086539700000000, -0.0019391800000000, -0.0032201300000000 ] - [ 0.0087891700000000, -0.0021268000000000, -0.0034285900000000 ] - [ 0.0967713100000000, -0.0680122400000000, 0.0526901000000000 ] - [ 0.0969647400000000, -0.0000758500000000, 0.0525599300000000 ] - [ 0.0969661400000000, -0.0002094900000000, 0.0525650100000000 ] - [ 0.0969650400000000, -0.0000340500000000, 0.0525595000000000 ] - [ -0.0091646900000000, -0.0018254300000000, 0.0031973700000000 ] - [ -0.0084751400000000, -0.0018686600000000, 0.0033318100000000 ] - [ -0.0092351600000000, -0.0013757500000000, 0.0036896500000000 ] - [ -0.0084339900000000, -0.0018121100000000, 0.0036595800000000 ] - [ 0.0117285600000000, 0.0096815000000000, -0.0028864600000000 ] - [ 0.0087283200000000, 0.0022372500000000, -0.0034375000000000 ] - [ 0.0088502700000000, 0.0023999600000000, -0.0036857300000000 ] - [ 0.0087221000000000, 0.0022193800000000, -0.0034810000000000 ] - [ -0.0969649400000000, -0.0000977900000000, -0.0525599400000000 ] - [ -0.0969591800000000, -0.0003670600000000, -0.0525716800000000 ] - [ -0.0969639000000000, -0.0006886100000000, -0.0525600700000000 ] - [ -0.0969376900000000, -0.0037416800000000, -0.0525493800000000 ] - [ -0.0083408800000000, 0.0025174800000000, 0.0037115700000000 ] - [ -0.0090347900000000, 0.0024762800000000, 0.0035771100000000 ] - [ -0.0082780000000000, 0.0029664700000000, 0.0032181000000000 ] - [ -0.0090729400000000, 0.0025337800000000, 0.0032485900000000 ] - [ 0.0091801400000000, -0.0023245300000000, -0.0031690100000000 ] - [ 0.0016820200000000, -0.0023713400000000, -0.0038501600000000 ] - [ 0.0088085700000000, -0.0022348500000000, -0.0034772900000000 ] - [ 0.0087399100000000, -0.0024875200000000, -0.0035256500000000 ] - [ 0.0969672700000000, 0.0005505200000000, 0.0525616400000000 ] - [ 0.0969652100000000, 0.0005503100000000, 0.0525597200000000 ] - [ 0.0969648400000000, 0.0001481300000000, 0.0525609300000000 ] - [ 0.0969650600000000, 0.0001478500000000, 0.0525595100000000 ] - [ -0.0090937400000000, -0.0047184800000000, 0.0081257400000000 ] - [ -0.0087412300000000, -0.0021988900000000, 0.0034625000000000 ] - [ -0.0108653100000000, -0.0013486600000000, -0.0032570900000000 ] - [ -0.0087514200000000, -0.0022128400000000, 0.0034484200000000 ] - [ 0.0083301300000000, 0.0020203300000000, -0.0037377700000000 ] - [ 0.0157952000000000, 0.0019729400000000, -0.0030535300000000 ] - [ 0.0087016000000000, 0.0021110000000000, -0.0034315300000000 ] - [ 0.0087733500000000, 0.0018546700000000, -0.0033833600000000 ] - [ -0.0969672700000000, 0.0011335100000000, -0.0525603700000000 ] - [ -0.0969639200000000, 0.0000268800000000, -0.0525599800000000 ] - [ -0.0969671100000000, 0.0015323300000000, -0.0525629400000000 ] - [ -0.0969640700000000, 0.0000713300000000, -0.0525597400000000 ] - [ -0.0084306700000000, -0.0003378200000000, -0.0011898400000000 ] - [ -0.0087665800000000, 0.0021449000000000, 0.0034462900000000 ] - [ -0.0066546800000000, 0.0030001400000000, 0.0101339500000000 ] - [ -0.0087559300000000, 0.0021293600000000, 0.0034598600000000 ] - [ 0.0000294300000000, 0.0152346100000000, 0.0000577600000000 ] - [ -0.0000006900000000, 0.0003054500000000, 0.0000000900000000 ] - [ 0.0000037500000000, 0.0015534600000000, 0.0000040600000000 ] - [ -0.0000004900000000, 0.0000794200000000, 0.0000001200000000 ] - [ -0.0000010200000000, -0.0033501700000000, 0.0000055800000000 ] - [ -0.0000010300000000, -0.0003436800000000, -0.0000008600000000 ] - [ 0.0000007900000000, -0.0006587500000000, -0.0000020700000000 ] - [ -0.0000005500000000, -0.0002025800000000, 0.0000000300000000 ] - [ -0.0000054100000000, 0.0011859600000000, 0.0000032700000000 ] - [ -0.0000001800000000, 0.0000397700000000, 0.0000012700000000 ] - [ -0.0000002800000000, 0.0002840000000000, 0.0000025600000000 ] - [ -0.0000002000000000, 0.0000176800000000, -0.0000014100000000 ] - [ 0.0059036500000000, 0.0023619300000000, 0.0029953300000000 ] - [ 0.0054032800000000, 0.0029777500000000, 0.0024004100000000 ] - [ 0.0058692800000000, 0.0023140000000000, 0.0018739000000000 ] - [ 0.0053725200000000, 0.0029714500000000, 0.0023759400000000 ] - [ -0.0048906000000000, 0.0054348300000000, 0.0148529400000000 ] - [ 0.0063784500000000, -0.0054821200000000, 0.0055443100000000 ] - [ 0.0065367000000000, -0.0054237200000000, 0.0056070800000000 ] - [ 0.0063976600000000, -0.0054875700000000, 0.0055338300000000 ] - [ -0.0329893400000000, 0.0038025800000000, 0.0053076800000000 ] - [ -0.0329837200000000, 0.0000082200000000, 0.0053239500000000 ] - [ -0.0329830400000000, 0.0009956200000000, 0.0053264300000000 ] - [ -0.0329833400000000, 0.0000217100000000, 0.0053239600000000 ] - [ -0.0049360800000000, 0.0026578700000000, -0.0022432200000000 ] - [ -0.0054079400000000, 0.0029818700000000, -0.0024205300000000 ] - [ -0.0053252300000000, 0.0029418900000000, -0.0024623300000000 ] - [ -0.0054902500000000, 0.0029317300000000, -0.0024258300000000 ] - [ 0.0180935500000000, 0.0167845100000000, -0.0041115900000000 ] - [ 0.0064345400000000, 0.0055079800000000, 0.0055235600000000 ] - [ 0.0062774600000000, 0.0055676700000000, 0.0054612500000000 ] - [ 0.0064150100000000, 0.0055023100000000, 0.0055338900000000 ] - [ -0.0063599800000000, -0.0054605700000000, -0.0055111200000000 ] - [ -0.0064827300000000, -0.0054287500000000, -0.0054281200000000 ] - [ -0.0056994100000000, -0.0053465900000000, -0.0056137500000000 ] - [ -0.0067213200000000, -0.0055939500000000, -0.0059206200000000 ] - [ 0.0049438300000000, -0.0036084400000000, 0.0017838500000000 ] - [ 0.0054451800000000, -0.0029892900000000, 0.0023840300000000 ] - [ 0.0049828000000000, -0.0036480500000000, 0.0029067100000000 ] - [ 0.0054765100000000, -0.0029960800000000, 0.0024089900000000 ] - [ 0.0329838200000000, 0.0001997900000000, -0.0053240300000000 ] - [ 0.0329789600000000, 0.0004341600000000, -0.0053263500000000 ] - [ 0.0329834800000000, 0.0000390900000000, -0.0053240700000000 ] - [ 0.0329813400000000, 0.0002712400000000, -0.0053209800000000 ] - [ -0.0064530700000000, 0.0055309600000000, -0.0055572300000000 ] - [ -0.0063327200000000, 0.0055659200000000, -0.0056404300000000 ] - [ -0.0071164600000000, 0.0056436100000000, -0.0054539500000000 ] - [ -0.0060909900000000, 0.0053928200000000, -0.0051512900000000 ] - [ -0.0059142700000000, -0.0033088100000000, -0.0025402300000000 ] - [ -0.0054455700000000, -0.0029824700000000, -0.0023624500000000 ] - [ -0.0055232200000000, -0.0030241600000000, -0.0023217700000000 ] - [ -0.0053603600000000, -0.0030347000000000, -0.0023579000000000 ] - [ -0.0000002700000000, -0.0006957900000000, 0.0000007600000000 ] - [ -0.0000006000000000, -0.0000182600000000, 0.0000015100000000 ] - [ 0.0000007100000000, -0.0002763700000000, -0.0000012600000000 ] - [ -0.0000003400000000, -0.0000602600000000, -0.0000011300000000 ] - [ 0.0053887100000000, 0.0030139100000000, 0.0023600400000000 ] - [ 0.0063949300000000, 0.0037067900000000, 0.0013781800000000 ] - [ 0.0053291500000000, 0.0030365300000000, 0.0024343300000000 ] - [ 0.0057950600000000, 0.0028624600000000, 0.0031318000000000 ] - [ 0.0063399100000000, -0.0056013400000000, 0.0054755900000000 ] - [ 0.0069181500000000, -0.0058245700000000, 0.0057334500000000 ] - [ 0.0063675700000000, -0.0055090500000000, 0.0054924200000000 ] - [ 0.0064301600000000, -0.0055469100000000, 0.0054741700000000 ] - [ -0.0329839000000000, -0.0000939300000000, 0.0053235800000000 ] - [ -0.0329833500000000, -0.0001380000000000, 0.0053244800000000 ] - [ -0.0329832800000000, -0.0000982100000000, 0.0053241600000000 ] - [ -0.0329836600000000, -0.0001358700000000, 0.0053248800000000 ] - [ -0.0077312700000000, 0.0139356500000000, -0.0009584000000000 ] - [ -0.0054627400000000, 0.0029809700000000, -0.0024053700000000 ] - [ -0.0054163900000000, 0.0029435400000000, -0.0026161500000000 ] - [ -0.0054367100000000, 0.0029898800000000, -0.0023795700000000 ] - [ 0.0064722100000000, 0.0053877800000000, 0.0055930500000000 ] - [ 0.0058949400000000, 0.0051637700000000, 0.0053339800000000 ] - [ 0.0064447900000000, 0.0054803800000000, 0.0055748100000000 ] - [ 0.0063822000000000, 0.0054425400000000, 0.0055931900000000 ] - [ -0.0064819200000000, -0.0056310900000000, -0.0057039700000000 ] - [ -0.0064075600000000, -0.0055014600000000, -0.0055297200000000 ] - [ -0.0062558000000000, -0.0067006400000000, -0.0047494300000000 ] - [ -0.0064122500000000, -0.0055072000000000, -0.0055305100000000 ] - [ 0.0054602500000000, -0.0029529400000000, 0.0024236500000000 ] - [ 0.0044637100000000, -0.0022646600000000, 0.0033987700000000 ] - [ 0.0055196400000000, -0.0029309400000000, 0.0023498600000000 ] - [ 0.0050498800000000, -0.0031019400000000, 0.0016539600000000 ] - [ 0.0329830800000000, -0.0015500000000000, -0.0053238000000000 ] - [ 0.0329829700000000, -0.0000164000000000, -0.0053248700000000 ] - [ 0.0329839900000000, -0.0001421600000000, -0.0053236800000000 ] - [ 0.0329833400000000, -0.0000132800000000, -0.0053243400000000 ] - [ -0.0063294800000000, 0.0053565100000000, -0.0053648800000000 ] - [ -0.0064062100000000, 0.0054895100000000, -0.0055382800000000 ] - [ -0.0065528900000000, 0.0042850000000000, -0.0063145600000000 ] - [ -0.0064016900000000, 0.0054838300000000, -0.0055385400000000 ] - [ -0.0033259700000000, 0.0073463500000000, -0.0036514000000000 ] - [ -0.0053876400000000, -0.0029856800000000, -0.0023787200000000 ] - [ -0.0054349500000000, -0.0030263300000000, -0.0021781100000000 ] - [ -0.0054138900000000, -0.0029763500000000, -0.0024037800000000 ]- atom: 5 displacement: [ -0.0007525109693321, 0.0000000000000000, 0.0099716461650539 ] forces: - [ 0.0100825100000000, 0.0007589000000000, -0.0067546500000000 ] - [ 0.0087046600000000, -0.0021285900000000, -0.0034746800000000 ] - [ 0.0089610000000000, -0.0027514700000000, -0.0025344300000000 ] - [ 0.0086711800000000, -0.0021569000000000, -0.0034128900000000 ] - [ 0.0881886300000000, 0.0000000000000000, -0.0575266700000000 ] - [ 0.0968461700000000, 0.0000000000000000, 0.0524849600000000 ] - [ 0.0989664300000000, 0.0000000000000000, 0.0554189300000000 ] - [ 0.0969137800000000, 0.0000000000000000, 0.0526243900000000 ] - [ -0.0081586200000000, -0.0026990100000000, 0.0034349800000000 ] - [ -0.0093325400000000, -0.0025419600000000, 0.0034788700000000 ] - [ -0.0092462000000000, -0.0016531800000000, 0.0037226800000000 ] - [ -0.0085361400000000, -0.0020747400000000, 0.0034308800000000 ] - [ 0.0100825100000000, -0.0007589000000000, -0.0067546500000000 ] - [ 0.0087046600000000, 0.0021285900000000, -0.0034746800000000 ] - [ 0.0089610000000000, 0.0027514700000000, -0.0025344300000000 ] - [ 0.0086711800000000, 0.0021569000000000, -0.0034128900000000 ] - [ -0.0963150700000000, 0.0000000000000000, -0.0526196500000000 ] - [ -0.1005555900000000, 0.0000000000000000, -0.0513923000000000 ] - [ -0.0975114900000000, 0.0000000000000000, -0.0521388000000000 ] - [ -0.0904693100000000, 0.0000000000000000, -0.0483383300000000 ] - [ -0.0081586200000000, 0.0026990100000000, 0.0034349800000000 ] - [ -0.0093325400000000, 0.0025419600000000, 0.0034788700000000 ] - [ -0.0092462000000000, 0.0016531800000000, 0.0037226800000000 ] - [ -0.0085361400000000, 0.0020747400000000, 0.0034308800000000 ] - [ 0.0084369000000000, -0.0020000900000000, -0.0038861300000000 ] - [ 0.0098826400000000, -0.0027333100000000, -0.0076210900000000 ] - [ 0.0088607200000000, -0.0021637300000000, -0.0031972900000000 ] - [ 0.0089185900000000, -0.0024104900000000, -0.0030456000000000 ] - [ 0.0968373000000000, 0.0000000000000000, 0.0523483400000000 ] - [ 0.0969505400000000, 0.0000000000000000, 0.0523580600000000 ] - [ 0.0969762800000000, 0.0000000000000000, 0.0528374800000000 ] - [ 0.0968665900000000, 0.0000000000000000, 0.0528274300000000 ] - [ -0.0120882900000000, 0.0034409100000000, 0.0090865000000000 ] - [ -0.0088282700000000, -0.0022177400000000, 0.0034273100000000 ] - [ -0.0078870900000000, -0.0086896800000000, 0.0124358500000000 ] - [ -0.0088840900000000, -0.0021723000000000, 0.0034511000000000 ] - [ 0.0084369000000000, 0.0020000900000000, -0.0038861300000000 ] - [ 0.0098826400000000, 0.0027333100000000, -0.0076210900000000 ] - [ 0.0088607200000000, 0.0021637300000000, -0.0031972900000000 ] - [ 0.0089185900000000, 0.0024104900000000, -0.0030456000000000 ] - [ -0.0969563700000000, 0.0000000000000000, -0.0525996100000000 ] - [ -0.0970596700000000, 0.0000000000000000, -0.0526338900000000 ] - [ -0.0971024600000000, 0.0000000000000000, -0.0521471800000000 ] - [ -0.0970033300000000, 0.0000000000000000, -0.0524916500000000 ] - [ -0.0120882900000000, -0.0034409100000000, 0.0090865000000000 ] - [ -0.0088282700000000, 0.0022177400000000, 0.0034273100000000 ] - [ -0.0078870900000000, 0.0086896800000000, 0.0124358500000000 ] - [ -0.0088840900000000, 0.0021723000000000, 0.0034511000000000 ] - [ 0.0250968200000000, 0.0000000000000000, 0.0360534700000000 ] - [ 0.0003269300000000, 0.0000000000000000, 0.0000780700000000 ] - [ 0.0013422800000000, 0.0000000000000000, -0.0031972100000000 ] - [ -0.0001042500000000, 0.0000000000000000, -0.0000810200000000 ] - [ 0.0004000000000000, 0.0000000000000000, 0.0000357500000000 ] - [ -0.0000205900000000, 0.0000000000000000, 0.0000726900000000 ] - [ -0.0002933200000000, 0.0000000000000000, -0.0003504400000000 ] - [ 0.0002618200000000, 0.0000000000000000, -0.0001977800000000 ] - [ -0.0112824800000000, 0.0000000000000000, 0.0126716700000000 ] - [ 0.0000002600000000, 0.0000000000000000, 0.0000497100000000 ] - [ -0.0001098400000000, 0.0000000000000000, -0.0009687200000000 ] - [ 0.0000569000000000, 0.0000000000000000, -0.0000679700000000 ] - [ 0.0049335000000000, 0.0040299100000000, 0.0025476000000000 ] - [ 0.0054687900000000, 0.0029733200000000, 0.0024364600000000 ] - [ 0.0058939000000000, 0.0025445600000000, 0.0020172600000000 ] - [ 0.0054441800000000, 0.0029680300000000, 0.0023573000000000 ] - [ -0.0023998500000000, 0.0019595800000000, 0.0178962300000000 ] - [ 0.0064335400000000, -0.0055085300000000, 0.0055501900000000 ] - [ 0.0063743500000000, -0.0050067900000000, 0.0046884400000000 ] - [ 0.0064554800000000, -0.0055223400000000, 0.0055418200000000 ] - [ -0.0266148100000000, 0.0000000000000000, 0.0154115500000000 ] - [ -0.0329343100000000, 0.0000000000000000, 0.0053441200000000 ] - [ -0.0336126400000000, 0.0000000000000000, 0.0045204800000000 ] - [ -0.0329655100000000, 0.0000000000000000, 0.0053035800000000 ] - [ -0.0053423200000000, 0.0029436400000000, -0.0020505600000000 ] - [ -0.0056540200000000, 0.0028559700000000, -0.0022176100000000 ] - [ -0.0053753100000000, 0.0030216300000000, -0.0025871000000000 ] - [ -0.0053601200000000, 0.0030083700000000, -0.0024992000000000 ] - [ -0.0023998500000000, -0.0019595800000000, 0.0178962300000000 ] - [ 0.0064335400000000, 0.0055085300000000, 0.0055501900000000 ] - [ 0.0063743500000000, 0.0050067900000000, 0.0046884400000000 ] - [ 0.0064554800000000, 0.0055223400000000, 0.0055418200000000 ] - [ -0.0066455600000000, -0.0054183000000000, -0.0056638600000000 ] - [ -0.0063234100000000, -0.0052846000000000, -0.0058518500000000 ] - [ -0.0058469100000000, -0.0054499800000000, -0.0055354400000000 ] - [ -0.0065977400000000, -0.0055586900000000, -0.0053115800000000 ] - [ 0.0049335000000000, -0.0040299100000000, 0.0025476000000000 ] - [ 0.0054687900000000, -0.0029733200000000, 0.0024364600000000 ] - [ 0.0058939000000000, -0.0025445600000000, 0.0020172600000000 ] - [ 0.0054441800000000, -0.0029680300000000, 0.0023573000000000 ] - [ 0.0327690200000000, 0.0000000000000000, -0.0050870200000000 ] - [ 0.0344421700000000, 0.0000000000000000, -0.0049770200000000 ] - [ 0.0329974800000000, 0.0000000000000000, -0.0054146000000000 ] - [ 0.0332859600000000, 0.0000000000000000, -0.0057003900000000 ] - [ -0.0066455600000000, 0.0054183000000000, -0.0056638600000000 ] - [ -0.0063234100000000, 0.0052846000000000, -0.0058518500000000 ] - [ -0.0058469100000000, 0.0054499800000000, -0.0055354400000000 ] - [ -0.0065977400000000, 0.0055586900000000, -0.0053115800000000 ] - [ -0.0053423200000000, -0.0029436400000000, -0.0020505600000000 ] - [ -0.0056540200000000, -0.0028559700000000, -0.0022176100000000 ] - [ -0.0053753100000000, -0.0030216300000000, -0.0025871000000000 ] - [ -0.0053601200000000, -0.0030083700000000, -0.0024992000000000 ] - [ -0.0000453500000000, 0.0000000000000000, 0.0004183000000000 ] - [ 0.0000190900000000, 0.0000000000000000, 0.0000828000000000 ] - [ 0.0001078100000000, 0.0000000000000000, -0.0001807800000000 ] - [ 0.0000134000000000, 0.0000000000000000, -0.0000471300000000 ] - [ 0.0054138200000000, 0.0029580900000000, 0.0024590200000000 ] - [ 0.0067575600000000, 0.0019455000000000, 0.0017896700000000 ] - [ 0.0055482700000000, 0.0029759600000000, 0.0022930700000000 ] - [ 0.0048181100000000, 0.0032877500000000, 0.0019248600000000 ] - [ 0.0064942700000000, -0.0054763700000000, 0.0055994500000000 ] - [ 0.0064127300000000, -0.0055837700000000, 0.0056264200000000 ] - [ 0.0063826500000000, -0.0055476000000000, 0.0054719300000000 ] - [ 0.0064666400000000, -0.0055945300000000, 0.0054654400000000 ] - [ -0.0330022800000000, 0.0000000000000000, 0.0054603700000000 ] - [ -0.0328470700000000, 0.0000000000000000, 0.0053910500000000 ] - [ -0.0329301100000000, 0.0000000000000000, 0.0052200200000000 ] - [ -0.0330697500000000, 0.0000000000000000, 0.0052869200000000 ] - [ -0.0060899100000000, 0.0050847200000000, 0.0024431200000000 ] - [ -0.0053638600000000, 0.0030051300000000, -0.0023527300000000 ] - [ -0.0053861100000000, 0.0027933500000000, -0.0025866500000000 ] - [ -0.0053967900000000, 0.0029918600000000, -0.0024335700000000 ] - [ 0.0064942700000000, 0.0054763700000000, 0.0055994500000000 ] - [ 0.0064127300000000, 0.0055837700000000, 0.0056264200000000 ] - [ 0.0063826500000000, 0.0055476000000000, 0.0054719300000000 ] - [ 0.0064666400000000, 0.0055945300000000, 0.0054654400000000 ] - [ -0.0066207500000000, -0.0061632900000000, -0.0058944600000000 ] - [ -0.0063827800000000, -0.0054737700000000, -0.0055259400000000 ] - [ -0.0067033700000000, -0.0048181100000000, -0.0051356000000000 ] - [ -0.0063702800000000, -0.0054723800000000, -0.0055250800000000 ] - [ 0.0054138200000000, -0.0029580900000000, 0.0024590200000000 ] - [ 0.0067575600000000, -0.0019455000000000, 0.0017896700000000 ] - [ 0.0055482700000000, -0.0029759600000000, 0.0022930700000000 ] - [ 0.0048181100000000, -0.0032877500000000, 0.0019248600000000 ] - [ 0.0321240600000000, 0.0000000000000000, -0.0049171900000000 ] - [ 0.0330119400000000, 0.0000000000000000, -0.0052947100000000 ] - [ 0.0330103700000000, 0.0000000000000000, -0.0055451500000000 ] - [ 0.0330022500000000, 0.0000000000000000, -0.0053418700000000 ] - [ -0.0066207500000000, 0.0061632900000000, -0.0058944600000000 ] - [ -0.0063827800000000, 0.0054737700000000, -0.0055259400000000 ] - [ -0.0067033700000000, 0.0048181100000000, -0.0051356000000000 ] - [ -0.0063702800000000, 0.0054723800000000, -0.0055250800000000 ] - [ -0.0060899100000000, -0.0050847200000000, 0.0024431200000000 ] - [ -0.0053638600000000, -0.0030051300000000, -0.0023527300000000 ] - [ -0.0053861100000000, -0.0027933500000000, -0.0025866500000000 ] - [ -0.0053967900000000, -0.0029918600000000, -0.0024335700000000 ]- atom: 5 displacement: [ 0.0007525109693321, 0.0000000000000000, -0.0099716461650539 ] forces: - [ 0.0074202300000000, -0.0050992200000000, -0.0001588000000000 ] - [ 0.0088064700000000, -0.0022159200000000, -0.0034391300000000 ] - [ 0.0085462800000000, -0.0015919100000000, -0.0043811700000000 ] - [ 0.0088393200000000, -0.0021882200000000, -0.0035016300000000 ] - [ 0.1067653200000000, 0.0000000000000000, 0.1630280300000000 ] - [ 0.0970872000000000, 0.0000000000000000, 0.0526332400000000 ] - [ 0.0949891500000000, 0.0000000000000000, 0.0496988400000000 ] - [ 0.0970200300000000, 0.0000000000000000, 0.0524927900000000 ] - [ -0.0093499600000000, -0.0016465900000000, 0.0034790400000000 ] - [ -0.0081753400000000, -0.0018006500000000, 0.0034354600000000 ] - [ -0.0082644400000000, -0.0026917600000000, 0.0031925400000000 ] - [ -0.0089749100000000, -0.0022725800000000, 0.0034834400000000 ] - [ 0.0074202300000000, 0.0050992200000000, -0.0001588000000000 ] - [ 0.0088064700000000, 0.0022159200000000, -0.0034391300000000 ] - [ 0.0085462800000000, 0.0015919100000000, -0.0043811700000000 ] - [ 0.0088393200000000, 0.0021882200000000, -0.0035016300000000 ] - [ -0.0976141100000000, 0.0000000000000000, -0.0524971000000000 ] - [ -0.0934111400000000, 0.0000000000000000, -0.0537414000000000 ] - [ -0.0964196700000000, 0.0000000000000000, -0.0529789300000000 ] - [ -0.1035811300000000, 0.0000000000000000, -0.0568192700000000 ] - [ -0.0093499600000000, 0.0016465900000000, 0.0034790400000000 ] - [ -0.0081753400000000, 0.0018006500000000, 0.0034354600000000 ] - [ -0.0082644400000000, 0.0026917600000000, 0.0031925400000000 ] - [ -0.0089749100000000, 0.0022725800000000, 0.0034834400000000 ] - [ 0.0090725200000000, -0.0023412100000000, -0.0030259200000000 ] - [ 0.0076455900000000, -0.0016038500000000, 0.0007392400000000 ] - [ 0.0086481000000000, -0.0021777100000000, -0.0037142400000000 ] - [ 0.0085964400000000, -0.0019439800000000, -0.0038852600000000 ] - [ 0.0970943100000000, 0.0000000000000000, 0.0527675100000000 ] - [ 0.0969821500000000, 0.0000000000000000, 0.0527599400000000 ] - [ 0.0969555300000000, 0.0000000000000000, 0.0522786400000000 ] - [ 0.0970625600000000, 0.0000000000000000, 0.0522856300000000 ] - [ -0.0054463100000000, -0.0077379300000000, -0.0021393900000000 ] - [ -0.0086784700000000, -0.0021234100000000, 0.0034850900000000 ] - [ -0.0096429900000000, 0.0044790100000000, -0.0057017000000000 ] - [ -0.0086230000000000, -0.0021692700000000, 0.0034610900000000 ] - [ 0.0090725200000000, 0.0023412100000000, -0.0030259200000000 ] - [ 0.0076455900000000, 0.0016038500000000, 0.0007392400000000 ] - [ 0.0086481000000000, 0.0021777100000000, -0.0037142400000000 ] - [ 0.0085964400000000, 0.0019439800000000, -0.0038852600000000 ] - [ -0.0969828900000000, 0.0000000000000000, -0.0525175300000000 ] - [ -0.0968690200000000, 0.0000000000000000, -0.0524805100000000 ] - [ -0.0968261600000000, 0.0000000000000000, -0.0529713000000000 ] - [ -0.0969276700000000, 0.0000000000000000, -0.0526249800000000 ] - [ -0.0054463100000000, 0.0077379300000000, -0.0021393900000000 ] - [ -0.0086784700000000, 0.0021234100000000, 0.0034850900000000 ] - [ -0.0096429900000000, -0.0044790100000000, -0.0057017000000000 ] - [ -0.0086230000000000, 0.0021692700000000, 0.0034610900000000 ] - [ -0.0261157800000000, 0.0000000000000000, -0.0368874100000000 ] - [ -0.0003276600000000, 0.0000000000000000, -0.0000778000000000 ] - [ -0.0013307300000000, 0.0000000000000000, 0.0031927800000000 ] - [ 0.0001024600000000, 0.0000000000000000, 0.0000806300000000 ] - [ -0.0003986200000000, 0.0000000000000000, -0.0000373200000000 ] - [ 0.0000204500000000, 0.0000000000000000, -0.0000745400000000 ] - [ 0.0002951400000000, 0.0000000000000000, 0.0003498300000000 ] - [ -0.0002628600000000, 0.0000000000000000, 0.0001984800000000 ] - [ 0.0108407100000000, 0.0000000000000000, -0.0123078200000000 ] - [ -0.0000006400000000, 0.0000000000000000, -0.0000505300000000 ] - [ 0.0001156800000000, 0.0000000000000000, 0.0009850400000000 ] - [ -0.0000571500000000, 0.0000000000000000, 0.0000684800000000 ] - [ 0.0059169000000000, 0.0019415700000000, 0.0022350800000000 ] - [ 0.0053816000000000, 0.0029916400000000, 0.0023471500000000 ] - [ 0.0049543100000000, 0.0034224600000000, 0.0027622000000000 ] - [ 0.0054059400000000, 0.0029970400000000, 0.0024263900000000 ] - [ 0.0154370200000000, -0.0132539500000000, -0.0069874600000000 ] - [ 0.0063820800000000, -0.0054818200000000, 0.0055155100000000 ] - [ 0.0064440800000000, -0.0059842900000000, 0.0063807400000000 ] - [ 0.0063603600000000, -0.0054682600000000, 0.0055239300000000 ] - [ -0.0391526200000000, 0.0000000000000000, -0.0041277800000000 ] - [ -0.0330299800000000, 0.0000000000000000, 0.0053051400000000 ] - [ -0.0323581000000000, 0.0000000000000000, 0.0061302200000000 ] - [ -0.0329997500000000, 0.0000000000000000, 0.0053466500000000 ] - [ -0.0055085400000000, 0.0030222800000000, -0.0027322900000000 ] - [ -0.0051985400000000, 0.0031091000000000, -0.0025662000000000 ] - [ -0.0054743900000000, 0.0029432600000000, -0.0021947800000000 ] - [ -0.0054894000000000, 0.0029565600000000, -0.0022831600000000 ] - [ 0.0154370200000000, 0.0132539500000000, -0.0069874600000000 ] - [ 0.0063820800000000, 0.0054818200000000, 0.0055155100000000 ] - [ 0.0064440800000000, 0.0059842900000000, 0.0063807400000000 ] - [ 0.0063603600000000, 0.0054682600000000, 0.0055239300000000 ] - [ -0.0061708300000000, -0.0055718300000000, -0.0054036300000000 ] - [ -0.0064938500000000, -0.0057061900000000, -0.0052163000000000 ] - [ -0.0069701300000000, -0.0055397400000000, -0.0055295700000000 ] - [ -0.0062165300000000, -0.0054300300000000, -0.0057543400000000 ] - [ 0.0059169000000000, -0.0019415700000000, 0.0022350800000000 ] - [ 0.0053816000000000, -0.0029916400000000, 0.0023471500000000 ] - [ 0.0049543100000000, -0.0034224600000000, 0.0027622000000000 ] - [ 0.0054059400000000, -0.0029970400000000, 0.0024263900000000 ] - [ 0.0331945000000000, 0.0000000000000000, -0.0055618400000000 ] - [ 0.0315362400000000, 0.0000000000000000, -0.0056729000000000 ] - [ 0.0329662400000000, 0.0000000000000000, -0.0052349100000000 ] - [ 0.0326761000000000, 0.0000000000000000, -0.0049503500000000 ] - [ -0.0061708300000000, 0.0055718300000000, -0.0054036300000000 ] - [ -0.0064938500000000, 0.0057061900000000, -0.0052163000000000 ] - [ -0.0069701300000000, 0.0055397400000000, -0.0055295700000000 ] - [ -0.0062165300000000, 0.0054300300000000, -0.0057543400000000 ] - [ -0.0055085400000000, -0.0030222800000000, -0.0027322900000000 ] - [ -0.0051985400000000, -0.0031091000000000, -0.0025662000000000 ] - [ -0.0054743900000000, -0.0029432600000000, -0.0021947800000000 ] - [ -0.0054894000000000, -0.0029565600000000, -0.0022831600000000 ] - [ 0.0000450000000000, 0.0000000000000000, -0.0004176600000000 ] - [ -0.0000192700000000, 0.0000000000000000, -0.0000809700000000 ] - [ -0.0001071700000000, 0.0000000000000000, 0.0001821700000000 ] - [ -0.0000147600000000, 0.0000000000000000, 0.0000462200000000 ] - [ 0.0054354800000000, 0.0030074800000000, 0.0023234300000000 ] - [ 0.0040948800000000, 0.0040094400000000, 0.0029827100000000 ] - [ 0.0053020800000000, 0.0029896900000000, 0.0024899800000000 ] - [ 0.0060356600000000, 0.0026734000000000, 0.0028672300000000 ] - [ 0.0063215000000000, -0.0055148000000000, 0.0054664900000000 ] - [ 0.0064023400000000, -0.0054091000000000, 0.0054378000000000 ] - [ 0.0064334000000000, -0.0054431800000000, 0.0055945800000000 ] - [ 0.0063478400000000, -0.0053957200000000, 0.0056006700000000 ] - [ -0.0329624300000000, 0.0000000000000000, 0.0051886300000000 ] - [ -0.0331189600000000, 0.0000000000000000, 0.0052588000000000 ] - [ -0.0330347400000000, 0.0000000000000000, 0.0054285400000000 ] - [ -0.0328936800000000, 0.0000000000000000, 0.0053651200000000 ] - [ -0.0047853100000000, 0.0009289800000000, -0.0071903700000000 ] - [ -0.0054868000000000, 0.0029599100000000, -0.0024303800000000 ] - [ -0.0054616100000000, 0.0031716300000000, -0.0021887200000000 ] - [ -0.0054542200000000, 0.0029735200000000, -0.0023482100000000 ] - [ 0.0063215000000000, 0.0055148000000000, 0.0054664900000000 ] - [ 0.0064023400000000, 0.0054091000000000, 0.0054378000000000 ] - [ 0.0064334000000000, 0.0054431800000000, 0.0055945800000000 ] - [ 0.0063478400000000, 0.0053957200000000, 0.0056006700000000 ] - [ -0.0061931600000000, -0.0048278900000000, -0.0051722500000000 ] - [ -0.0064330600000000, -0.0055172400000000, -0.0055400500000000 ] - [ -0.0061159900000000, -0.0061801300000000, -0.0059315600000000 ] - [ -0.0064455800000000, -0.0055186600000000, -0.0055415900000000 ] - [ 0.0054354800000000, -0.0030074800000000, 0.0023234300000000 ] - [ 0.0040948800000000, -0.0040094400000000, 0.0029827100000000 ] - [ 0.0053020800000000, -0.0029896900000000, 0.0024899800000000 ] - [ 0.0060356600000000, -0.0026734000000000, 0.0028672300000000 ] - [ 0.0338457100000000, 0.0000000000000000, -0.0057342300000000 ] - [ 0.0329511700000000, 0.0000000000000000, -0.0053565400000000 ] - [ 0.0329542300000000, 0.0000000000000000, -0.0051038200000000 ] - [ 0.0329626800000000, 0.0000000000000000, -0.0053073400000000 ] - [ -0.0061931600000000, 0.0048278900000000, -0.0051722500000000 ] - [ -0.0064330600000000, 0.0055172400000000, -0.0055400500000000 ] - [ -0.0061159900000000, 0.0061801300000000, -0.0059315600000000 ] - [ -0.0064455800000000, 0.0055186600000000, -0.0055415900000000 ] - [ -0.0047853100000000, -0.0009289800000000, -0.0071903700000000 ] - [ -0.0054868000000000, -0.0029599100000000, -0.0024303800000000 ] - [ -0.0054616100000000, -0.0031716300000000, -0.0021887200000000 ] - [ -0.0054542200000000, -0.0029735200000000, -0.0023482100000000 ]- atom: 49 displacement: [ 0.0099998730498564, 0.0000000000000000, 0.0000503883593317 ] forces: - [ 0.0085941000000000, -0.0000703400000000, -0.0049110900000000 ] - [ 0.0076262900000000, -0.0022906800000000, -0.0035631100000000 ] - [ 0.0087569400000000, -0.0021305800000000, -0.0027155600000000 ] - [ 0.0083293000000000, -0.0018445700000000, -0.0036334400000000 ] - [ 0.1399445200000000, 0.0000000000000000, 0.0821985500000000 ] - [ 0.0961049500000000, 0.0000000000000000, 0.0528232600000000 ] - [ 0.0984933600000000, 0.0000000000000000, 0.0539900000000000 ] - [ 0.0964712300000000, 0.0000000000000000, 0.0524190000000000 ] - [ -0.0091784900000000, -0.0024989200000000, 0.0032767900000000 ] - [ -0.0087515100000000, -0.0022107900000000, 0.0041990400000000 ] - [ -0.0098788300000000, -0.0020488900000000, 0.0033497900000000 ] - [ -0.0089280900000000, -0.0042574000000000, 0.0020047100000000 ] - [ 0.0085941000000000, 0.0000703400000000, -0.0049110900000000 ] - [ 0.0076262900000000, 0.0022906800000000, -0.0035631100000000 ] - [ 0.0087569400000000, 0.0021305800000000, -0.0027155600000000 ] - [ 0.0083293000000000, 0.0018445700000000, -0.0036334400000000 ] - [ -0.0974621100000000, 0.0000000000000000, -0.0527016800000000 ] - [ -0.0954450600000000, 0.0000000000000000, -0.0511119800000000 ] - [ -0.0978294700000000, 0.0000000000000000, -0.0522957900000000 ] - [ -0.0551095700000000, 0.0000000000000000, -0.0240657800000000 ] - [ -0.0091784900000000, 0.0024989200000000, 0.0032767900000000 ] - [ -0.0087515100000000, 0.0022107900000000, 0.0041990400000000 ] - [ -0.0098788300000000, 0.0020488900000000, 0.0033497900000000 ] - [ -0.0089280900000000, 0.0042574000000000, 0.0020047100000000 ] - [ 0.0077596300000000, -0.0019510200000000, -0.0037156700000000 ] - [ 0.0193263900000000, -0.0034659000000000, -0.0036032600000000 ] - [ 0.0081083500000000, -0.0019008900000000, -0.0034783700000000 ] - [ 0.0105605700000000, -0.0019466700000000, -0.0037197300000000 ] - [ 0.0963705500000000, 0.0000000000000000, 0.0524952700000000 ] - [ 0.0969523200000000, 0.0000000000000000, 0.0529628300000000 ] - [ 0.0965246700000000, 0.0000000000000000, 0.0527881600000000 ] - [ 0.0972714000000000, 0.0000000000000000, 0.0522844200000000 ] - [ -0.0069381300000000, -0.0023935600000000, 0.0032183600000000 ] - [ -0.0093993300000000, -0.0024425500000000, 0.0034306200000000 ] - [ 0.0020990900000000, -0.0006677600000000, 0.0031158200000000 ] - [ -0.0097477000000000, -0.0023920600000000, 0.0031951800000000 ] - [ 0.0077596300000000, 0.0019510200000000, -0.0037156700000000 ] - [ 0.0193263900000000, 0.0034659000000000, -0.0036032600000000 ] - [ 0.0081083500000000, 0.0019008900000000, -0.0034783700000000 ] - [ 0.0105605700000000, 0.0019466700000000, -0.0037197300000000 ] - [ -0.0966597000000000, 0.0000000000000000, -0.0528319700000000 ] - [ -0.0974076400000000, 0.0000000000000000, -0.0523301100000000 ] - [ -0.0969780800000000, 0.0000000000000000, -0.0521635100000000 ] - [ -0.0975636200000000, 0.0000000000000000, -0.0526257300000000 ] - [ -0.0069381300000000, 0.0023935600000000, 0.0032183600000000 ] - [ -0.0093993300000000, 0.0024425500000000, 0.0034306200000000 ] - [ 0.0020990900000000, 0.0006677600000000, 0.0031158200000000 ] - [ -0.0097477000000000, 0.0023920600000000, 0.0031951800000000 ] - [ -0.1323528500000000, 0.0000000000000000, -0.0536105600000000 ] - [ 0.0011424900000000, 0.0000000000000000, -0.0001138700000000 ] - [ -0.0021065600000000, 0.0000000000000000, -0.0002735000000000 ] - [ 0.0007076900000000, 0.0000000000000000, -0.0000698200000000 ] - [ 0.0007844800000000, 0.0000000000000000, -0.0000430800000000 ] - [ 0.0007877700000000, 0.0000000000000000, -0.0000409200000000 ] - [ 0.0002133500000000, 0.0000000000000000, -0.0001371100000000 ] - [ 0.0002139100000000, 0.0000000000000000, -0.0001373100000000 ] - [ -0.0034081500000000, 0.0000000000000000, -0.0001720500000000 ] - [ 0.0003196100000000, 0.0000000000000000, 0.0000214900000000 ] - [ -0.0033943300000000, 0.0000000000000000, -0.0000509400000000 ] - [ 0.0003192600000000, 0.0000000000000000, 0.0000204900000000 ] - [ 0.0053284300000000, 0.0029519300000000, 0.0025399500000000 ] - [ 0.0057578300000000, 0.0028517000000000, 0.0022200000000000 ] - [ 0.0067265200000000, 0.0018634900000000, 0.0018000800000000 ] - [ 0.0057989300000000, 0.0029808700000000, 0.0025379200000000 ] - [ 0.0098965500000000, -0.0096396100000000, 0.0061080900000000 ] - [ 0.0069807600000000, -0.0057115500000000, 0.0056079800000000 ] - [ 0.0062720800000000, -0.0054491000000000, 0.0054789700000000 ] - [ 0.0065893900000000, -0.0056667900000000, 0.0056137600000000 ] - [ -0.0339440700000000, 0.0000000000000000, 0.0083377600000000 ] - [ -0.0327455800000000, 0.0000000000000000, 0.0053262600000000 ] - [ -0.0320876900000000, 0.0000000000000000, 0.0023296300000000 ] - [ -0.0326060200000000, 0.0000000000000000, 0.0054116500000000 ] - [ -0.0050515100000000, 0.0029853500000000, -0.0022443300000000 ] - [ -0.0041085200000000, 0.0041142600000000, -0.0029883800000000 ] - [ -0.0050937500000000, 0.0031148200000000, -0.0025616900000000 ] - [ -0.0055191700000000, 0.0030154100000000, -0.0022403000000000 ] - [ 0.0098965500000000, 0.0096396100000000, 0.0061080900000000 ] - [ 0.0069807600000000, 0.0057115500000000, 0.0056079800000000 ] - [ 0.0062720800000000, 0.0054491000000000, 0.0054789700000000 ] - [ 0.0065893900000000, 0.0056667900000000, 0.0056137600000000 ] - [ -0.0062245700000000, -0.0053243200000000, -0.0054553500000000 ] - [ -0.0065414100000000, -0.0055443000000000, -0.0055904300000000 ] - [ -0.0058318500000000, -0.0052788400000000, -0.0054615300000000 ] - [ -0.0029718300000000, -0.0014109100000000, -0.0049738600000000 ] - [ 0.0053284300000000, -0.0029519300000000, 0.0025399500000000 ] - [ 0.0057578300000000, -0.0028517000000000, 0.0022200000000000 ] - [ 0.0067265200000000, -0.0018634900000000, 0.0018000800000000 ] - [ 0.0057989300000000, -0.0029808700000000, 0.0025379200000000 ] - [ 0.0333593500000000, 0.0000000000000000, -0.0052360100000000 ] - [ 0.0338651200000000, 0.0000000000000000, -0.0082809700000000 ] - [ 0.0332206600000000, 0.0000000000000000, -0.0053217300000000 ] - [ 0.0320194600000000, 0.0000000000000000, -0.0023017100000000 ] - [ -0.0062245700000000, 0.0053243200000000, -0.0054553500000000 ] - [ -0.0065414100000000, 0.0055443000000000, -0.0055904300000000 ] - [ -0.0058318500000000, 0.0052788400000000, -0.0054615300000000 ] - [ -0.0029718300000000, 0.0014109100000000, -0.0049738600000000 ] - [ -0.0050515100000000, -0.0029853500000000, -0.0022443300000000 ] - [ -0.0041085200000000, -0.0041142600000000, -0.0029883800000000 ] - [ -0.0050937500000000, -0.0031148200000000, -0.0025616900000000 ] - [ -0.0055191700000000, -0.0030154100000000, -0.0022403000000000 ] - [ 0.0001531600000000, 0.0000000000000000, 0.0001825000000000 ] - [ 0.0002843400000000, 0.0000000000000000, -0.0002245400000000 ] - [ 0.0002825700000000, 0.0000000000000000, -0.0002247500000000 ] - [ 0.0001532400000000, 0.0000000000000000, 0.0001803300000000 ] - [ 0.0057307300000000, 0.0028593000000000, 0.0024145100000000 ] - [ 0.0046518900000000, 0.0030130100000000, 0.0006300600000000 ] - [ 0.0058270200000000, 0.0028457000000000, 0.0023512700000000 ] - [ 0.0029487000000000, 0.0016888500000000, 0.0031451900000000 ] - [ 0.0067334500000000, -0.0056664100000000, 0.0056707200000000 ] - [ 0.0062574900000000, -0.0068625500000000, 0.0061751900000000 ] - [ 0.0066441000000000, -0.0056818900000000, 0.0055974400000000 ] - [ 0.0061757500000000, -0.0053816000000000, 0.0053584600000000 ] - [ -0.0328065700000000, 0.0000000000000000, 0.0054328500000000 ] - [ -0.0331077600000000, 0.0000000000000000, 0.0051750700000000 ] - [ -0.0327541600000000, 0.0000000000000000, 0.0052853000000000 ] - [ -0.0332818300000000, 0.0000000000000000, 0.0056168500000000 ] - [ -0.0079233000000000, 0.0042625400000000, -0.0016754500000000 ] - [ -0.0050238100000000, 0.0031222300000000, -0.0024304200000000 ] - [ -0.0062039600000000, 0.0029504200000000, -0.0041565100000000 ] - [ -0.0051199200000000, 0.0031085800000000, -0.0023671300000000 ] - [ 0.0067334500000000, 0.0056664100000000, 0.0056707200000000 ] - [ 0.0062574900000000, 0.0068625500000000, 0.0061751900000000 ] - [ 0.0066441000000000, 0.0056818900000000, 0.0055974400000000 ] - [ 0.0061757500000000, 0.0053816000000000, 0.0053584600000000 ] - [ -0.0066372800000000, -0.0056075000000000, -0.0057105500000000 ] - [ -0.0061695300000000, -0.0053083000000000, -0.0054717400000000 ] - [ -0.0065634200000000, -0.0041361700000000, -0.0048902200000000 ] - [ -0.0060804800000000, -0.0053235800000000, -0.0053982900000000 ] - [ 0.0057307300000000, -0.0028593000000000, 0.0024145100000000 ] - [ 0.0046518900000000, -0.0030130100000000, 0.0006300600000000 ] - [ 0.0058270200000000, -0.0028457000000000, 0.0023512700000000 ] - [ 0.0029487000000000, -0.0016888500000000, 0.0031451900000000 ] - [ 0.0326778200000000, 0.0000000000000000, -0.0050304700000000 ] - [ 0.0332103900000000, 0.0000000000000000, -0.0053628500000000 ] - [ 0.0328567800000000, 0.0000000000000000, -0.0054736700000000 ] - [ 0.0331586300000000, 0.0000000000000000, -0.0052162300000000 ] - [ -0.0066372800000000, 0.0056075000000000, -0.0057105500000000 ] - [ -0.0061695300000000, 0.0053083000000000, -0.0054717400000000 ] - [ -0.0065634200000000, 0.0041361700000000, -0.0048902200000000 ] - [ -0.0060804800000000, 0.0053235800000000, -0.0053982900000000 ] - [ -0.0079233000000000, -0.0042625400000000, -0.0016754500000000 ] - [ -0.0050238100000000, -0.0031222300000000, -0.0024304200000000 ] - [ -0.0062039600000000, -0.0029504200000000, -0.0041565100000000 ] - [ -0.0051199200000000, -0.0031085800000000, -0.0023671300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0105903600000000, -0.0044216400000000, -0.0024286400000000 ] - [ 0.0080328900000000, -0.0026965600000000, -0.0036788300000000 ] - [ 0.0093396900000000, -0.0029447500000000, -0.0041887800000000 ] - [ 0.0085802800000000, -0.0023707800000000, -0.0035682400000000 ] - [ 0.0969753100000000, 0.0152343200000000, 0.0525576600000000 ] - [ 0.0969653300000000, 0.0003062700000000, 0.0525593700000000 ] - [ 0.0969814900000000, 0.0015535800000000, 0.0525669000000000 ] - [ 0.0969640100000000, 0.0000799200000000, 0.0525572400000000 ] - [ -0.0085802800000000, -0.0023707800000000, 0.0035682400000000 ] - [ -0.0093396900000000, -0.0029447500000000, 0.0041887800000000 ] - [ -0.0080328900000000, -0.0026965600000000, 0.0036788300000000 ] - [ -0.0105903600000000, -0.0044216400000000, 0.0024286400000000 ] - [ 0.0069151900000000, -0.0000570200000000, -0.0044894100000000 ] - [ 0.0094808100000000, 0.0016506800000000, -0.0032274700000000 ] - [ 0.0081678400000000, 0.0014045400000000, -0.0027176400000000 ] - [ 0.0089280500000000, 0.0019797600000000, -0.0033460900000000 ] - [ -0.0969640100000000, 0.0000799200000000, -0.0525572400000000 ] - [ -0.0969814900000000, 0.0015535800000000, -0.0525669000000000 ] - [ -0.0969653300000000, 0.0003062700000000, -0.0525593700000000 ] - [ -0.0969753100000000, 0.0152343200000000, -0.0525576600000000 ] - [ -0.0089280500000000, 0.0019797600000000, 0.0033460900000000 ] - [ -0.0081678400000000, 0.0014045400000000, 0.0027176400000000 ] - [ -0.0094808100000000, 0.0016506800000000, 0.0032274700000000 ] - [ -0.0069151900000000, -0.0000570200000000, 0.0044894100000000 ] - [ 0.0085952800000000, -0.0020573100000000, -0.0035624900000000 ] - [ 0.0080901100000000, 0.0116103200000000, -0.0021555700000000 ] - [ 0.0086877600000000, -0.0020798300000000, -0.0034283300000000 ] - [ 0.0092314000000000, -0.0005187500000000, -0.0020158800000000 ] - [ 0.0969658300000000, -0.0003436300000000, 0.0525586200000000 ] - [ 0.0969718400000000, -0.0033500900000000, 0.0525581000000000 ] - [ 0.0969639700000000, -0.0002023300000000, 0.0525592400000000 ] - [ 0.0969655600000000, -0.0006583000000000, 0.0525583300000000 ] - [ -0.0092314000000000, -0.0005187500000000, 0.0020158800000000 ] - [ -0.0086877600000000, -0.0020798300000000, 0.0034283300000000 ] - [ -0.0080901100000000, 0.0116103200000000, 0.0021555700000000 ] - [ -0.0085952800000000, -0.0020573100000000, 0.0035624900000000 ] - [ 0.0089128000000000, 0.0022849200000000, -0.0033475300000000 ] - [ 0.0091589300000000, 0.0155029400000000, -0.0044658600000000 ] - [ 0.0088198700000000, 0.0022651600000000, -0.0034826900000000 ] - [ 0.0082963600000000, 0.0038088800000000, -0.0049147400000000 ] - [ -0.0969655600000000, -0.0006583000000000, -0.0525583300000000 ] - [ -0.0969639700000000, -0.0002023300000000, -0.0525592400000000 ] - [ -0.0969718400000000, -0.0033500900000000, -0.0525581000000000 ] - [ -0.0969658300000000, -0.0003436300000000, -0.0525586200000000 ] - [ -0.0082963600000000, 0.0038088800000000, 0.0049147400000000 ] - [ -0.0088198700000000, 0.0022651600000000, 0.0034826900000000 ] - [ -0.0091589300000000, 0.0155029400000000, 0.0044658600000000 ] - [ -0.0089128000000000, 0.0022849200000000, 0.0033475300000000 ] - [ 0.0000000000000000, -0.0875449700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002745100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0024201400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001325500000000, 0.0000000000000000 ] - [ 0.0000024300000000, 0.0020604400000000, 0.0000046900000000 ] - [ -0.0000024300000000, 0.0020604400000000, -0.0000046900000000 ] - [ 0.0000004900000000, 0.0006843400000000, -0.0000016200000000 ] - [ -0.0000004900000000, 0.0006843400000000, 0.0000016200000000 ] - [ 0.0000063700000000, -0.0023277800000000, -0.0000353400000000 ] - [ -0.0000003200000000, -0.0000312400000000, 0.0000008700000000 ] - [ -0.0000063700000000, -0.0023277800000000, 0.0000353400000000 ] - [ 0.0000003200000000, -0.0000312400000000, -0.0000008700000000 ] - [ 0.0050357700000000, 0.0032393100000000, 0.0021135400000000 ] - [ 0.0056664600000000, 0.0030396900000000, 0.0022351000000000 ] - [ 0.0030395500000000, 0.0046438100000000, 0.0029738000000000 ] - [ 0.0056943100000000, 0.0030492100000000, 0.0024907700000000 ] - [ 0.0036324700000000, -0.0050501600000000, 0.0036399000000000 ] - [ 0.0066818100000000, -0.0055957000000000, 0.0055203200000000 ] - [ 0.0062517900000000, -0.0056250300000000, 0.0055616000000000 ] - [ 0.0064399300000000, -0.0055218900000000, 0.0055316300000000 ] - [ -0.0329822800000000, -0.0012183800000000, 0.0053108800000000 ] - [ -0.0329846100000000, -0.0000415000000000, 0.0053250400000000 ] - [ -0.0329900800000000, -0.0047497900000000, 0.0053450700000000 ] - [ -0.0329840600000000, -0.0000817300000000, 0.0053254400000000 ] - [ -0.0056943100000000, 0.0030492100000000, -0.0024907700000000 ] - [ -0.0030395500000000, 0.0046438100000000, -0.0029738000000000 ] - [ -0.0056664600000000, 0.0030396900000000, -0.0022351000000000 ] - [ -0.0050357700000000, 0.0032393100000000, -0.0021135400000000 ] - [ 0.0091799900000000, 0.0059063900000000, 0.0074548900000000 ] - [ 0.0061308200000000, 0.0053922700000000, 0.0055469400000000 ] - [ 0.0065611300000000, 0.0053607200000000, 0.0055048400000000 ] - [ 0.0063715200000000, 0.0054666100000000, 0.0055373000000000 ] - [ -0.0064399300000000, -0.0055218900000000, -0.0055316300000000 ] - [ -0.0062517900000000, -0.0056250300000000, -0.0055616000000000 ] - [ -0.0066818100000000, -0.0055957000000000, -0.0055203200000000 ] - [ -0.0036324700000000, -0.0050501600000000, -0.0036399000000000 ] - [ 0.0058134200000000, -0.0027290300000000, 0.0026721400000000 ] - [ 0.0051807300000000, -0.0029266900000000, 0.0025526700000000 ] - [ 0.0078242700000000, -0.0013156200000000, 0.0018136200000000 ] - [ 0.0051546800000000, -0.0029179500000000, 0.0022960400000000 ] - [ 0.0329840600000000, -0.0000817300000000, -0.0053254400000000 ] - [ 0.0329900800000000, -0.0047497900000000, -0.0053450700000000 ] - [ 0.0329846100000000, -0.0000415000000000, -0.0053250400000000 ] - [ 0.0329822800000000, -0.0012183800000000, -0.0053108800000000 ] - [ -0.0063715200000000, 0.0054666100000000, -0.0055373000000000 ] - [ -0.0065611300000000, 0.0053607200000000, -0.0055048400000000 ] - [ -0.0061308200000000, 0.0053922700000000, -0.0055469400000000 ] - [ -0.0091799900000000, 0.0059063900000000, -0.0074548900000000 ] - [ -0.0051546800000000, -0.0029179500000000, -0.0022960400000000 ] - [ -0.0078242700000000, -0.0013156200000000, -0.0018136200000000 ] - [ -0.0051807300000000, -0.0029266900000000, -0.0025526700000000 ] - [ -0.0058134200000000, -0.0027290300000000, -0.0026721400000000 ] - [ -0.0000001000000000, 0.0003106600000000, 0.0000015600000000 ] - [ -0.0000015600000000, 0.0005316700000000, 0.0000029300000000 ] - [ 0.0000015600000000, 0.0005316700000000, -0.0000029300000000 ] - [ 0.0000001000000000, 0.0003106600000000, -0.0000015600000000 ] - [ 0.0054382000000000, 0.0029621000000000, 0.0024096900000000 ] - [ 0.0056426700000000, 0.0028705600000000, 0.0050330900000000 ] - [ 0.0054487000000000, 0.0029537300000000, 0.0023757900000000 ] - [ 0.0029093100000000, 0.0041865300000000, -0.0020801400000000 ] - [ 0.0064905300000000, -0.0054598900000000, 0.0056475300000000 ] - [ 0.0049532100000000, -0.0026339800000000, 0.0049561400000000 ] - [ 0.0064326100000000, -0.0054735800000000, 0.0055412400000000 ] - [ 0.0062867700000000, -0.0053288300000000, 0.0056010800000000 ] - [ -0.0329848900000000, 0.0000418300000000, 0.0053260000000000 ] - [ -0.0329850200000000, 0.0004009700000000, 0.0053266800000000 ] - [ -0.0329841300000000, 0.0001148200000000, 0.0053256200000000 ] - [ -0.0329850700000000, 0.0008204800000000, 0.0053255200000000 ] - [ -0.0029093100000000, 0.0041865300000000, 0.0020801400000000 ] - [ -0.0054487000000000, 0.0029537300000000, -0.0023757900000000 ] - [ -0.0056426700000000, 0.0028705600000000, -0.0050330900000000 ] - [ -0.0054382000000000, 0.0029621000000000, -0.0024096900000000 ] - [ 0.0063215900000000, 0.0055305000000000, 0.0054226900000000 ] - [ 0.0078452200000000, 0.0083538700000000, 0.0061160600000000 ] - [ 0.0063791000000000, 0.0055164600000000, 0.0055265700000000 ] - [ 0.0065245300000000, 0.0056626700000000, 0.0054688200000000 ] - [ -0.0062867700000000, -0.0053288300000000, -0.0056010800000000 ] - [ -0.0064326100000000, -0.0054735800000000, -0.0055412400000000 ] - [ -0.0049532100000000, -0.0026339800000000, -0.0049561400000000 ] - [ -0.0064905300000000, -0.0054598900000000, -0.0056475300000000 ] - [ 0.0054102700000000, -0.0030030900000000, 0.0023754800000000 ] - [ 0.0052190400000000, -0.0030921900000000, -0.0002329800000000 ] - [ 0.0054010000000000, -0.0030116600000000, 0.0024107500000000 ] - [ 0.0079168900000000, -0.0017581200000000, 0.0068670100000000 ] - [ 0.0329850700000000, 0.0008204800000000, -0.0053255200000000 ] - [ 0.0329841300000000, 0.0001148200000000, -0.0053256200000000 ] - [ 0.0329850200000000, 0.0004009700000000, -0.0053266800000000 ] - [ 0.0329848900000000, 0.0000418300000000, -0.0053260000000000 ] - [ -0.0065245300000000, 0.0056626700000000, -0.0054688200000000 ] - [ -0.0063791000000000, 0.0055164600000000, -0.0055265700000000 ] - [ -0.0078452200000000, 0.0083538700000000, -0.0061160600000000 ] - [ -0.0063215900000000, 0.0055305000000000, -0.0054226900000000 ] - [ -0.0079168900000000, -0.0017581200000000, -0.0068670100000000 ] - [ -0.0054010000000000, -0.0030116600000000, -0.0024107500000000 ] - [ -0.0052190400000000, -0.0030921900000000, 0.0002329800000000 ] - [ -0.0054102700000000, -0.0030030900000000, -0.0023754800000000 ]- atom: 49 displacement: [ -0.0007525109693321, 0.0000000000000000, 0.0099716461650539 ] forces: - [ 0.0079756900000000, -0.0012017400000000, -0.0021617900000000 ] - [ 0.0095754200000000, -0.0020484000000000, -0.0029075400000000 ] - [ 0.0092357300000000, -0.0024731000000000, -0.0046558300000000 ] - [ 0.0085783900000000, -0.0024118900000000, -0.0036256800000000 ] - [ 0.1251454500000000, 0.0000000000000000, 0.0896513400000000 ] - [ 0.0972410500000000, 0.0000000000000000, 0.0526351600000000 ] - [ 0.0980900600000000, 0.0000000000000000, 0.0493558300000000 ] - [ 0.0968939400000000, 0.0000000000000000, 0.0524803000000000 ] - [ -0.0089340000000000, -0.0019301900000000, 0.0032837400000000 ] - [ -0.0082701200000000, -0.0018621800000000, 0.0022524400000000 ] - [ -0.0079376700000000, -0.0022979300000000, 0.0039938100000000 ] - [ -0.0095315500000000, -0.0031661100000000, 0.0047303200000000 ] - [ 0.0079756900000000, 0.0012017400000000, -0.0021617900000000 ] - [ 0.0095754200000000, 0.0020484000000000, -0.0029075400000000 ] - [ 0.0092357300000000, 0.0024731000000000, -0.0046558300000000 ] - [ 0.0085783900000000, 0.0024118900000000, -0.0036256800000000 ] - [ -0.0970348000000000, 0.0000000000000000, -0.0526357900000000 ] - [ -0.0958557900000000, 0.0000000000000000, -0.0557784700000000 ] - [ -0.0966842800000000, 0.0000000000000000, -0.0524871600000000 ] - [ -0.0697595400000000, 0.0000000000000000, -0.0163955500000000 ] - [ -0.0089340000000000, 0.0019301900000000, 0.0032837400000000 ] - [ -0.0082701200000000, 0.0018621800000000, 0.0022524400000000 ] - [ -0.0079376700000000, 0.0022979300000000, 0.0039938100000000 ] - [ -0.0095315500000000, 0.0031661100000000, 0.0047303200000000 ] - [ 0.0088737700000000, -0.0022848900000000, -0.0033208000000000 ] - [ 0.0067004400000000, -0.0003298900000000, 0.0081022000000000 ] - [ 0.0089497100000000, -0.0022478200000000, -0.0035671300000000 ] - [ 0.0082669900000000, -0.0009395700000000, -0.0065987900000000 ] - [ 0.0969792400000000, 0.0000000000000000, 0.0526354900000000 ] - [ 0.0973553900000000, 0.0000000000000000, 0.0526016800000000 ] - [ 0.0972462800000000, 0.0000000000000000, 0.0523643300000000 ] - [ 0.0967503600000000, 0.0000000000000000, 0.0522144000000000 ] - [ -0.0092560300000000, -0.0034345800000000, 0.0003238300000000 ] - [ -0.0085590100000000, -0.0020948700000000, 0.0033415700000000 ] - [ -0.0106140700000000, -0.0037398500000000, 0.0145965200000000 ] - [ -0.0086385400000000, -0.0020566000000000, 0.0035845600000000 ] - [ 0.0088737700000000, 0.0022848900000000, -0.0033208000000000 ] - [ 0.0067004400000000, 0.0003298900000000, 0.0081022000000000 ] - [ 0.0089497100000000, 0.0022478200000000, -0.0035671300000000 ] - [ 0.0082669900000000, 0.0009395700000000, -0.0065987900000000 ] - [ -0.0971826100000000, 0.0000000000000000, -0.0529019700000000 ] - [ -0.0966806000000000, 0.0000000000000000, -0.0527567300000000 ] - [ -0.0965695800000000, 0.0000000000000000, -0.0525289900000000 ] - [ -0.0969496600000000, 0.0000000000000000, -0.0524838800000000 ] - [ -0.0092560300000000, 0.0034345800000000, 0.0003238300000000 ] - [ -0.0085590100000000, 0.0020948700000000, 0.0033415700000000 ] - [ -0.0106140700000000, 0.0037398500000000, 0.0145965200000000 ] - [ -0.0086385400000000, 0.0020566000000000, 0.0035845600000000 ] - [ -0.0428009300000000, 0.0000000000000000, -0.1378434000000000 ] - [ -0.0001989200000000, 0.0000000000000000, -0.0001034700000000 ] - [ -0.0001403000000000, 0.0000000000000000, 0.0052899100000000 ] - [ -0.0001240400000000, 0.0000000000000000, 0.0001795500000000 ] - [ -0.0000979300000000, 0.0000000000000000, -0.0010025900000000 ] - [ -0.0000939100000000, 0.0000000000000000, -0.0010093900000000 ] - [ -0.0001539600000000, 0.0000000000000000, 0.0006558200000000 ] - [ -0.0001584200000000, 0.0000000000000000, 0.0006589300000000 ] - [ -0.0001465400000000, 0.0000000000000000, 0.0088062400000000 ] - [ -0.0000500700000000, 0.0000000000000000, 0.0000026500000000 ] - [ -0.0001461800000000, 0.0000000000000000, 0.0086975500000000 ] - [ -0.0000499400000000, 0.0000000000000000, 0.0000022900000000 ] - [ 0.0058304300000000, 0.0026367000000000, 0.0025780700000000 ] - [ 0.0051374800000000, 0.0030341800000000, 0.0025838300000000 ] - [ 0.0033153400000000, 0.0044410500000000, 0.0027605900000000 ] - [ 0.0054606000000000, 0.0030658200000000, 0.0023214200000000 ] - [ 0.0064581900000000, -0.0070495500000000, 0.0022182400000000 ] - [ 0.0063224900000000, -0.0054177900000000, 0.0054122600000000 ] - [ 0.0064043300000000, -0.0055473800000000, 0.0062379300000000 ] - [ 0.0064226200000000, -0.0054437600000000, 0.0055881500000000 ] - [ -0.0330221900000000, 0.0000000000000000, 0.0085416800000000 ] - [ -0.0331156400000000, 0.0000000000000000, 0.0053538400000000 ] - [ -0.0348969500000000, 0.0000000000000000, 0.0076874400000000 ] - [ -0.0328964700000000, 0.0000000000000000, 0.0052797700000000 ] - [ -0.0053906700000000, 0.0029037200000000, -0.0024615200000000 ] - [ -0.0075499800000000, 0.0015202400000000, -0.0020190100000000 ] - [ -0.0057105300000000, 0.0029336100000000, -0.0021968800000000 ] - [ -0.0050225500000000, 0.0033290800000000, -0.0021995100000000 ] - [ 0.0064581900000000, 0.0070495500000000, 0.0022182400000000 ] - [ 0.0063224900000000, 0.0054177900000000, 0.0054122600000000 ] - [ 0.0064043300000000, 0.0055473800000000, 0.0062379300000000 ] - [ 0.0064226200000000, 0.0054437600000000, 0.0055881500000000 ] - [ -0.0063891700000000, -0.0055475500000000, -0.0054817900000000 ] - [ -0.0064136300000000, -0.0054512700000000, -0.0048359100000000 ] - [ -0.0064941100000000, -0.0055734200000000, -0.0056568400000000 ] - [ -0.0063136200000000, -0.0038937100000000, -0.0088314400000000 ] - [ 0.0058304300000000, -0.0026367000000000, 0.0025780700000000 ] - [ 0.0051374800000000, -0.0030341800000000, 0.0025838300000000 ] - [ 0.0033153400000000, -0.0044410500000000, 0.0027605900000000 ] - [ 0.0054606000000000, -0.0030658200000000, 0.0023214200000000 ] - [ 0.0330666600000000, 0.0000000000000000, -0.0053659900000000 ] - [ 0.0310666100000000, 0.0000000000000000, -0.0029609000000000 ] - [ 0.0328493600000000, 0.0000000000000000, -0.0052893600000000 ] - [ 0.0329396100000000, 0.0000000000000000, -0.0020735100000000 ] - [ -0.0063891700000000, 0.0055475500000000, -0.0054817900000000 ] - [ -0.0064136300000000, 0.0054512700000000, -0.0048359100000000 ] - [ -0.0064941100000000, 0.0055734200000000, -0.0056568400000000 ] - [ -0.0063136200000000, 0.0038937100000000, -0.0088314400000000 ] - [ -0.0053906700000000, -0.0029037200000000, -0.0024615200000000 ] - [ -0.0075499800000000, -0.0015202400000000, -0.0020190100000000 ] - [ -0.0057105300000000, -0.0029336100000000, -0.0021968800000000 ] - [ -0.0050225500000000, -0.0033290800000000, -0.0021995100000000 ] - [ 0.0001055100000000, 0.0000000000000000, -0.0000402800000000 ] - [ -0.0003005100000000, 0.0000000000000000, 0.0002058100000000 ] - [ -0.0002997100000000, 0.0000000000000000, 0.0002051800000000 ] - [ 0.0001052500000000, 0.0000000000000000, -0.0000390800000000 ] - [ 0.0053727600000000, 0.0030107700000000, 0.0023973000000000 ] - [ 0.0050818400000000, 0.0034037400000000, 0.0042962300000000 ] - [ 0.0053257800000000, 0.0030348700000000, 0.0023846300000000 ] - [ 0.0075005900000000, -0.0000180700000000, 0.0047820900000000 ] - [ 0.0062916600000000, -0.0054426100000000, 0.0053957100000000 ] - [ 0.0059717000000000, -0.0039781800000000, 0.0037678900000000 ] - [ 0.0063501000000000, -0.0054347000000000, 0.0055908200000000 ] - [ 0.0065609100000000, -0.0057739100000000, 0.0059718900000000 ] - [ -0.0329848200000000, 0.0000000000000000, 0.0052886600000000 ] - [ -0.0331258800000000, 0.0000000000000000, 0.0054323800000000 ] - [ -0.0331014500000000, 0.0000000000000000, 0.0053514800000000 ] - [ -0.0326785700000000, 0.0000000000000000, 0.0051220600000000 ] - [ -0.0033397500000000, 0.0060067500000000, -0.0000109200000000 ] - [ -0.0055248400000000, 0.0029327400000000, -0.0023969600000000 ] - [ -0.0057654000000000, 0.0025679500000000, -0.0004591600000000 ] - [ -0.0054780100000000, 0.0029570500000000, -0.0023818300000000 ] - [ 0.0062916600000000, 0.0054426100000000, 0.0053957100000000 ] - [ 0.0059717000000000, 0.0039781800000000, 0.0037678900000000 ] - [ 0.0063501000000000, 0.0054347000000000, 0.0055908200000000 ] - [ 0.0065609100000000, 0.0057739100000000, 0.0059718900000000 ] - [ -0.0062495000000000, -0.0052115500000000, -0.0050960200000000 ] - [ -0.0064635800000000, -0.0055567700000000, -0.0054787400000000 ] - [ -0.0068467600000000, -0.0070189200000000, -0.0072847300000000 ] - [ -0.0065218500000000, -0.0055494100000000, -0.0056757100000000 ] - [ 0.0053727600000000, -0.0030107700000000, 0.0023973000000000 ] - [ 0.0050818400000000, -0.0034037400000000, 0.0042962300000000 ] - [ 0.0053257800000000, -0.0030348700000000, 0.0023846300000000 ] - [ 0.0075005900000000, 0.0000180700000000, 0.0047820900000000 ] - [ 0.0332896200000000, 0.0000000000000000, -0.0055260400000000 ] - [ 0.0328618300000000, 0.0000000000000000, -0.0052944500000000 ] - [ 0.0328385800000000, 0.0000000000000000, -0.0052106300000000 ] - [ 0.0329793200000000, 0.0000000000000000, -0.0053551300000000 ] - [ -0.0062495000000000, 0.0052115500000000, -0.0050960200000000 ] - [ -0.0064635800000000, 0.0055567700000000, -0.0054787400000000 ] - [ -0.0068467600000000, 0.0070189200000000, -0.0072847300000000 ] - [ -0.0065218500000000, 0.0055494100000000, -0.0056757100000000 ] - [ -0.0033397500000000, -0.0060067500000000, -0.0000109200000000 ] - [ -0.0055248400000000, -0.0029327400000000, -0.0023969600000000 ] - [ -0.0057654000000000, -0.0025679500000000, -0.0004591600000000 ] - [ -0.0054780100000000, -0.0029570500000000, -0.0023818300000000 ]- atom: 57 displacement: [ 0.0099998730498564, 0.0000000000000000, 0.0000503883593317 ] forces: - [ 0.0082868100000000, -0.0016653700000000, -0.0032836100000000 ] - [ 0.0084636100000000, -0.0021713900000000, -0.0035284700000000 ] - [ 0.0087500100000000, -0.0021391600000000, -0.0036446900000000 ] - [ 0.0085685800000000, -0.0020827100000000, -0.0034091500000000 ] - [ 0.1128691200000000, 0.0000000000000000, 0.0424295400000000 ] - [ 0.0965871400000000, 0.0000000000000000, 0.0525329800000000 ] - [ 0.0975906800000000, 0.0000000000000000, 0.0524774000000000 ] - [ 0.0967938900000000, 0.0000000000000000, 0.0526024500000000 ] - [ -0.0090472000000000, -0.0021734400000000, 0.0033799700000000 ] - [ -0.0092272900000000, -0.0026779100000000, 0.0036291000000000 ] - [ -0.0089419900000000, -0.0022619800000000, 0.0034997700000000 ] - [ -0.0087607000000000, -0.0022078600000000, 0.0032651200000000 ] - [ 0.0082868100000000, 0.0016653700000000, -0.0032836100000000 ] - [ 0.0084636100000000, 0.0021713900000000, -0.0035284700000000 ] - [ 0.0087500100000000, 0.0021391600000000, -0.0036446900000000 ] - [ 0.0085685800000000, 0.0020827100000000, -0.0034091500000000 ] - [ -0.0973422000000000, 0.0000000000000000, -0.0525860700000000 ] - [ -0.0815991600000000, 0.0000000000000000, -0.0621327900000000 ] - [ -0.0971343000000000, 0.0000000000000000, -0.0525165900000000 ] - [ -0.0963197300000000, 0.0000000000000000, -0.0526162700000000 ] - [ -0.0090472000000000, 0.0021734400000000, 0.0033799700000000 ] - [ -0.0092272900000000, 0.0026779100000000, 0.0036291000000000 ] - [ -0.0089419900000000, 0.0022619800000000, 0.0034997700000000 ] - [ -0.0087607000000000, 0.0022078600000000, 0.0032651200000000 ] - [ 0.0084578400000000, -0.0021041400000000, -0.0034735400000000 ] - [ 0.0124850100000000, -0.0025788100000000, -0.0027463100000000 ] - [ 0.0085049800000000, -0.0020819100000000, -0.0035356800000000 ] - [ 0.0090371500000000, -0.0021529100000000, -0.0031177400000000 ] - [ 0.0967416800000000, 0.0000000000000000, 0.0525628900000000 ] - [ 0.0968648800000000, 0.0000000000000000, 0.0525077000000000 ] - [ 0.0968388100000000, 0.0000000000000000, 0.0525642700000000 ] - [ 0.0970056400000000, 0.0000000000000000, 0.0526687900000000 ] - [ -0.0049807500000000, -0.0017111500000000, 0.0042107200000000 ] - [ -0.0090518900000000, -0.0022400500000000, 0.0034338300000000 ] - [ -0.0084597100000000, -0.0021743000000000, 0.0037830100000000 ] - [ -0.0090050700000000, -0.0022621300000000, 0.0033723600000000 ] - [ 0.0084578400000000, 0.0021041400000000, -0.0034735400000000 ] - [ 0.0124850100000000, 0.0025788100000000, -0.0027463100000000 ] - [ 0.0085049800000000, 0.0020819100000000, -0.0035356800000000 ] - [ 0.0090371500000000, 0.0021529100000000, -0.0031177400000000 ] - [ -0.0970629500000000, 0.0000000000000000, -0.0526094000000000 ] - [ -0.0971860500000000, 0.0000000000000000, -0.0525561800000000 ] - [ -0.0969210100000000, 0.0000000000000000, -0.0524498300000000 ] - [ -0.0970887000000000, 0.0000000000000000, -0.0525545900000000 ] - [ -0.0049807500000000, 0.0017111500000000, 0.0042107200000000 ] - [ -0.0090518900000000, 0.0022400500000000, 0.0034338300000000 ] - [ -0.0084597100000000, 0.0021743000000000, 0.0037830100000000 ] - [ -0.0090050700000000, 0.0022621300000000, 0.0033723600000000 ] - [ -0.0033984100000000, 0.0000000000000000, -0.0003378600000000 ] - [ 0.0003201800000000, 0.0000000000000000, -0.0000263500000000 ] - [ -0.0034009100000000, 0.0000000000000000, -0.0003806200000000 ] - [ 0.0003196400000000, 0.0000000000000000, -0.0000262200000000 ] - [ 0.0002837800000000, 0.0000000000000000, -0.0002781000000000 ] - [ 0.0001543100000000, 0.0000000000000000, 0.0001167400000000 ] - [ 0.0001541600000000, 0.0000000000000000, 0.0001175200000000 ] - [ 0.0002850500000000, 0.0000000000000000, -0.0002792900000000 ] - [ -0.0687053500000000, 0.0000000000000000, 0.0178022100000000 ] - [ 0.0001252300000000, 0.0000000000000000, 0.0000143200000000 ] - [ -0.0001624900000000, 0.0000000000000000, -0.0002091900000000 ] - [ 0.0000887900000000, 0.0000000000000000, 0.0000039700000000 ] - [ 0.0055507600000000, 0.0028195000000000, 0.0024260700000000 ] - [ 0.0055590300000000, 0.0029639800000000, 0.0023781500000000 ] - [ 0.0054317700000000, 0.0029786600000000, 0.0023504800000000 ] - [ 0.0054944200000000, 0.0029470000000000, 0.0023967700000000 ] - [ 0.0068178500000000, -0.0070283900000000, 0.0050940400000000 ] - [ 0.0065404500000000, -0.0055332000000000, 0.0056024300000000 ] - [ 0.0064439000000000, -0.0053665600000000, 0.0058790300000000 ] - [ 0.0065080100000000, -0.0055671000000000, 0.0055479200000000 ] - [ -0.0215357100000000, 0.0000000000000000, 0.0092634700000000 ] - [ -0.0328200700000000, 0.0000000000000000, 0.0053078300000000 ] - [ -0.0331248100000000, 0.0000000000000000, 0.0051997400000000 ] - [ -0.0329254500000000, 0.0000000000000000, 0.0053515900000000 ] - [ -0.0052913900000000, 0.0030031300000000, -0.0024039300000000 ] - [ -0.0052997900000000, 0.0031473000000000, -0.0023549900000000 ] - [ -0.0053564000000000, 0.0030205300000000, -0.0023853600000000 ] - [ -0.0054191400000000, 0.0029889200000000, -0.0024307400000000 ] - [ 0.0068178500000000, 0.0070283900000000, 0.0050940400000000 ] - [ 0.0065404500000000, 0.0055332000000000, 0.0056024300000000 ] - [ 0.0064439000000000, 0.0053665600000000, 0.0058790300000000 ] - [ 0.0065080100000000, 0.0055671000000000, 0.0055479200000000 ] - [ -0.0062706100000000, -0.0054574000000000, -0.0054667500000000 ] - [ -0.0059941400000000, -0.0039790700000000, -0.0059669500000000 ] - [ -0.0063032500000000, -0.0054232300000000, -0.0055216900000000 ] - [ -0.0063643400000000, -0.0056214000000000, -0.0051887600000000 ] - [ 0.0055507600000000, -0.0028195000000000, 0.0024260700000000 ] - [ 0.0055590300000000, -0.0029639800000000, 0.0023781500000000 ] - [ 0.0054317700000000, -0.0029786600000000, 0.0023504800000000 ] - [ 0.0054944200000000, -0.0029470000000000, 0.0023967700000000 ] - [ 0.0331454700000000, 0.0000000000000000, -0.0053378500000000 ] - [ 0.0441510900000000, 0.0000000000000000, -0.0014855000000000 ] - [ 0.0330390400000000, 0.0000000000000000, -0.0052941300000000 ] - [ 0.0328349600000000, 0.0000000000000000, -0.0054457000000000 ] - [ -0.0062706100000000, 0.0054574000000000, -0.0054667500000000 ] - [ -0.0059941400000000, 0.0039790700000000, -0.0059669500000000 ] - [ -0.0063032500000000, 0.0054232300000000, -0.0055216900000000 ] - [ -0.0063643400000000, 0.0056214000000000, -0.0051887600000000 ] - [ -0.0052913900000000, -0.0030031300000000, -0.0024039300000000 ] - [ -0.0052997900000000, -0.0031473000000000, -0.0023549900000000 ] - [ -0.0053564000000000, -0.0030205300000000, -0.0023853600000000 ] - [ -0.0054191400000000, -0.0029889200000000, -0.0024307400000000 ] - [ 0.0001150500000000, 0.0000000000000000, 0.0000089700000000 ] - [ 0.0001147800000000, 0.0000000000000000, 0.0000084900000000 ] - [ 0.0000366000000000, 0.0000000000000000, 0.0000021100000000 ] - [ 0.0000366900000000, 0.0000000000000000, 0.0000023500000000 ] - [ 0.0055514200000000, 0.0029393000000000, 0.0023891500000000 ] - [ 0.0067333200000000, -0.0025221500000000, 0.0003593600000000 ] - [ 0.0055390200000000, 0.0029379200000000, 0.0023879600000000 ] - [ 0.0052408900000000, 0.0030543600000000, 0.0023444300000000 ] - [ 0.0065011400000000, -0.0055652700000000, 0.0055530900000000 ] - [ 0.0063757700000000, -0.0062382100000000, 0.0057563200000000 ] - [ 0.0065004000000000, -0.0055497500000000, 0.0055790700000000 ] - [ 0.0063309800000000, -0.0055529800000000, 0.0052884700000000 ] - [ -0.0329033500000000, 0.0000000000000000, 0.0053395200000000 ] - [ -0.0329494900000000, 0.0000000000000000, 0.0053721700000000 ] - [ -0.0329250000000000, 0.0000000000000000, 0.0053341900000000 ] - [ -0.0330352000000000, 0.0000000000000000, 0.0053449000000000 ] - [ -0.0041409100000000, 0.0085055600000000, -0.0044345700000000 ] - [ -0.0052993100000000, 0.0030281800000000, -0.0023922300000000 ] - [ -0.0056089500000000, 0.0029124000000000, -0.0024378300000000 ] - [ -0.0053119700000000, 0.0030296600000000, -0.0023932200000000 ] - [ 0.0065011400000000, 0.0055652700000000, 0.0055530900000000 ] - [ 0.0063757700000000, 0.0062382100000000, 0.0057563200000000 ] - [ 0.0065004000000000, 0.0055497500000000, 0.0055790700000000 ] - [ 0.0063309800000000, 0.0055529800000000, 0.0052884700000000 ] - [ -0.0064351200000000, -0.0047452000000000, -0.0053105900000000 ] - [ -0.0063104500000000, -0.0054249600000000, -0.0055166900000000 ] - [ -0.0064809000000000, -0.0054366500000000, -0.0057815900000000 ] - [ -0.0063112100000000, -0.0054406500000000, -0.0054905100000000 ] - [ 0.0055514200000000, -0.0029393000000000, 0.0023891500000000 ] - [ 0.0067333200000000, 0.0025221500000000, 0.0003593600000000 ] - [ 0.0055390200000000, -0.0029379200000000, 0.0023879600000000 ] - [ 0.0052408900000000, -0.0030543600000000, 0.0023444300000000 ] - [ 0.0330133700000000, 0.0000000000000000, -0.0052743600000000 ] - [ 0.0330608000000000, 0.0000000000000000, -0.0053072200000000 ] - [ 0.0329288700000000, 0.0000000000000000, -0.0053018700000000 ] - [ 0.0330392700000000, 0.0000000000000000, -0.0053122100000000 ] - [ -0.0064351200000000, 0.0047452000000000, -0.0053105900000000 ] - [ -0.0063104500000000, 0.0054249600000000, -0.0055166900000000 ] - [ -0.0064809000000000, 0.0054366500000000, -0.0057815900000000 ] - [ -0.0063112100000000, 0.0054406500000000, -0.0054905100000000 ] - [ -0.0041409100000000, -0.0085055600000000, -0.0044345700000000 ] - [ -0.0052993100000000, -0.0030281800000000, -0.0023922300000000 ] - [ -0.0056089500000000, -0.0029124000000000, -0.0024378300000000 ] - [ -0.0053119700000000, -0.0030296600000000, -0.0023932200000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0098442500000000, -0.0029211300000000, -0.0040318600000000 ] - [ 0.0086082000000000, -0.0022604900000000, -0.0034760100000000 ] - [ 0.0089794600000000, -0.0024165500000000, -0.0031657000000000 ] - [ 0.0087239900000000, -0.0022223300000000, -0.0034972600000000 ] - [ 0.0969082000000000, 0.0011863500000000, 0.0525809800000000 ] - [ 0.0969676600000000, 0.0000397400000000, 0.0525570600000000 ] - [ 0.0969530600000000, 0.0002842200000000, 0.0525477000000000 ] - [ 0.0969682700000000, 0.0000178000000000, 0.0525575800000000 ] - [ -0.0086082000000000, -0.0022604900000000, 0.0034760100000000 ] - [ -0.0098442500000000, -0.0029211300000000, 0.0040318600000000 ] - [ -0.0087239900000000, -0.0022223300000000, 0.0034972600000000 ] - [ -0.0089794600000000, -0.0024165500000000, 0.0031657000000000 ] - [ 0.0076482800000000, 0.0014253900000000, -0.0028748300000000 ] - [ 0.0088949600000000, 0.0020851000000000, -0.0034366000000000 ] - [ 0.0085210200000000, 0.0019294400000000, -0.0037506300000000 ] - [ 0.0087791000000000, 0.0021252600000000, -0.0034163600000000 ] - [ -0.0969676600000000, 0.0000397400000000, -0.0525570600000000 ] - [ -0.0969082000000000, 0.0011863500000000, -0.0525809800000000 ] - [ -0.0969682700000000, 0.0000178000000000, -0.0525575800000000 ] - [ -0.0969530600000000, 0.0002842200000000, -0.0525477000000000 ] - [ -0.0088949600000000, 0.0020851000000000, 0.0034366000000000 ] - [ -0.0076482800000000, 0.0014253900000000, 0.0028748300000000 ] - [ -0.0087791000000000, 0.0021252600000000, 0.0034163600000000 ] - [ -0.0085210200000000, 0.0019294400000000, 0.0037506300000000 ] - [ 0.0087421400000000, -0.0021578700000000, -0.0034533600000000 ] - [ 0.0076857600000000, 0.0009932500000000, -0.0046758400000000 ] - [ 0.0087275200000000, -0.0021537600000000, -0.0034664900000000 ] - [ 0.0086056300000000, -0.0018024300000000, -0.0032412600000000 ] - [ 0.0969692900000000, -0.0000180400000000, 0.0525603800000000 ] - [ 0.0969711500000000, -0.0006954800000000, 0.0525589900000000 ] - [ 0.0969693000000000, -0.0000601500000000, 0.0525593600000000 ] - [ 0.0969700200000000, -0.0002762400000000, 0.0525598600000000 ] - [ -0.0076857600000000, 0.0009932500000000, 0.0046758400000000 ] - [ -0.0087421400000000, -0.0021578700000000, 0.0034533600000000 ] - [ -0.0086056300000000, -0.0018024300000000, 0.0032412600000000 ] - [ -0.0087275200000000, -0.0021537600000000, 0.0034664900000000 ] - [ 0.0087602400000000, 0.0021866500000000, -0.0034594200000000 ] - [ 0.0097020600000000, 0.0051530200000000, -0.0023880700000000 ] - [ 0.0087742800000000, 0.0021909400000000, -0.0034468400000000 ] - [ 0.0088930500000000, 0.0025297500000000, -0.0036602800000000 ] - [ -0.0969711500000000, -0.0006954800000000, -0.0525589900000000 ] - [ -0.0969692900000000, -0.0000180400000000, -0.0525603800000000 ] - [ -0.0969700200000000, -0.0002762400000000, -0.0525598600000000 ] - [ -0.0969693000000000, -0.0000601500000000, -0.0525593600000000 ] - [ -0.0097020600000000, 0.0051530200000000, 0.0023880700000000 ] - [ -0.0087602400000000, 0.0021866500000000, 0.0034594200000000 ] - [ -0.0088930500000000, 0.0025297500000000, 0.0036602800000000 ] - [ -0.0087742800000000, 0.0021909400000000, 0.0034468400000000 ] - [ 0.0000083900000000, -0.0023271900000000, 0.0000210100000000 ] - [ 0.0000000700000000, -0.0000312300000000, 0.0000003100000000 ] - [ -0.0000083900000000, -0.0023271900000000, -0.0000210100000000 ] - [ -0.0000000700000000, -0.0000312300000000, -0.0000003100000000 ] - [ 0.0000014500000000, 0.0005325300000000, -0.0000017600000000 ] - [ -0.0000007300000000, 0.0003109500000000, -0.0000006200000000 ] - [ 0.0000007300000000, 0.0003109500000000, 0.0000006200000000 ] - [ -0.0000014500000000, 0.0005325300000000, 0.0000017600000000 ] - [ 0.0000000000000000, -0.0456447900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000027900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002383800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000103000000000, 0.0000000000000000 ] - [ 0.0051398600000000, 0.0031722200000000, 0.0023622200000000 ] - [ 0.0054852100000000, 0.0029945900000000, 0.0023580600000000 ] - [ 0.0053754700000000, 0.0030265900000000, 0.0024160900000000 ] - [ 0.0054663300000000, 0.0029863500000000, 0.0024062000000000 ] - [ 0.0066185200000000, -0.0058213300000000, 0.0055357500000000 ] - [ 0.0064429000000000, -0.0055064300000000, 0.0055348300000000 ] - [ 0.0059965900000000, -0.0056698800000000, 0.0049567200000000 ] - [ 0.0064069200000000, -0.0054990700000000, 0.0055390500000000 ] - [ -0.0330123200000000, -0.0017693200000000, 0.0053198600000000 ] - [ -0.0329846300000000, -0.0000067200000000, 0.0053282300000000 ] - [ -0.0329829900000000, -0.0000511700000000, 0.0053270500000000 ] - [ -0.0329846200000000, -0.0000111200000000, 0.0053284700000000 ] - [ -0.0054852100000000, 0.0029945900000000, -0.0023580600000000 ] - [ -0.0051398600000000, 0.0031722200000000, -0.0023622200000000 ] - [ -0.0054663300000000, 0.0029863500000000, -0.0024062000000000 ] - [ -0.0053754700000000, 0.0030265900000000, -0.0024160900000000 ] - [ 0.0061871000000000, 0.0051575800000000, 0.0055312300000000 ] - [ 0.0063694500000000, 0.0054800200000000, 0.0055338200000000 ] - [ 0.0068198400000000, 0.0053110200000000, 0.0061168500000000 ] - [ 0.0064053600000000, 0.0054883000000000, 0.0055304700000000 ] - [ -0.0064429000000000, -0.0055064300000000, -0.0055348300000000 ] - [ -0.0066185200000000, -0.0058213300000000, -0.0055357500000000 ] - [ -0.0064069200000000, -0.0054990700000000, -0.0055390500000000 ] - [ -0.0059965900000000, -0.0056698800000000, -0.0049567200000000 ] - [ 0.0057100400000000, -0.0027917900000000, 0.0024249900000000 ] - [ 0.0053613500000000, -0.0029697500000000, 0.0024302700000000 ] - [ 0.0054718100000000, -0.0029378900000000, 0.0023720900000000 ] - [ 0.0053811900000000, -0.0029781400000000, 0.0023812700000000 ] - [ 0.0329846300000000, -0.0000067200000000, -0.0053282300000000 ] - [ 0.0330123200000000, -0.0017693200000000, -0.0053198600000000 ] - [ 0.0329846200000000, -0.0000111200000000, -0.0053284700000000 ] - [ 0.0329829900000000, -0.0000511700000000, -0.0053270500000000 ] - [ -0.0063694500000000, 0.0054800200000000, -0.0055338200000000 ] - [ -0.0061871000000000, 0.0051575800000000, -0.0055312300000000 ] - [ -0.0064053600000000, 0.0054883000000000, -0.0055304700000000 ] - [ -0.0068198400000000, 0.0053110200000000, -0.0061168500000000 ] - [ -0.0053613500000000, -0.0029697500000000, -0.0024302700000000 ] - [ -0.0057100400000000, -0.0027917900000000, -0.0024249900000000 ] - [ -0.0053811900000000, -0.0029781400000000, -0.0023812700000000 ] - [ -0.0054718100000000, -0.0029378900000000, -0.0023720900000000 ] - [ 0.0000006400000000, 0.0000992100000000, 0.0000000600000000 ] - [ -0.0000006400000000, 0.0000992100000000, -0.0000000600000000 ] - [ -0.0000004000000000, 0.0000702100000000, 0.0000001600000000 ] - [ 0.0000004000000000, 0.0000702100000000, -0.0000001600000000 ] - [ 0.0054281100000000, 0.0029778600000000, 0.0023943700000000 ] - [ -0.0009996500000000, 0.0122165700000000, 0.0062254400000000 ] - [ 0.0054294500000000, 0.0029764900000000, 0.0023958100000000 ] - [ 0.0054547100000000, 0.0029349100000000, 0.0022770200000000 ] - [ 0.0064087300000000, -0.0054869800000000, 0.0055390500000000 ] - [ 0.0062128600000000, -0.0042599500000000, 0.0051504700000000 ] - [ 0.0064193500000000, -0.0054898000000000, 0.0055506300000000 ] - [ 0.0063394200000000, -0.0053889000000000, 0.0057755400000000 ] - [ -0.0329864800000000, 0.0000266000000000, 0.0053259100000000 ] - [ -0.0329875400000000, 0.0005432700000000, 0.0053285700000000 ] - [ -0.0329862800000000, 0.0000158900000000, 0.0053285600000000 ] - [ -0.0329869200000000, 0.0000910600000000, 0.0053256400000000 ] - [ 0.0009996500000000, 0.0122165700000000, -0.0062254400000000 ] - [ -0.0054281100000000, 0.0029778600000000, -0.0023943700000000 ] - [ -0.0054547100000000, 0.0029349100000000, -0.0022770200000000 ] - [ -0.0054294500000000, 0.0029764900000000, -0.0023958100000000 ] - [ 0.0064017800000000, 0.0054998800000000, 0.0055291700000000 ] - [ 0.0065978100000000, 0.0067162600000000, 0.0059120700000000 ] - [ 0.0063908000000000, 0.0054973900000000, 0.0055172300000000 ] - [ 0.0064708400000000, 0.0055980800000000, 0.0052954900000000 ] - [ -0.0062128600000000, -0.0042599500000000, -0.0051504700000000 ] - [ -0.0064087300000000, -0.0054869800000000, -0.0055390500000000 ] - [ -0.0063394200000000, -0.0053889000000000, -0.0057755400000000 ] - [ -0.0064193500000000, -0.0054898000000000, -0.0055506300000000 ] - [ 0.0054182700000000, -0.0029866200000000, 0.0023953100000000 ] - [ 0.0117103300000000, 0.0060641700000000, -0.0013543400000000 ] - [ 0.0054144200000000, -0.0029890900000000, 0.0023942100000000 ] - [ 0.0053917600000000, -0.0030299500000000, 0.0025121100000000 ] - [ 0.0329875400000000, 0.0005432700000000, -0.0053285700000000 ] - [ 0.0329864800000000, 0.0000266000000000, -0.0053259100000000 ] - [ 0.0329869200000000, 0.0000910600000000, -0.0053256400000000 ] - [ 0.0329862800000000, 0.0000158900000000, -0.0053285600000000 ] - [ -0.0065978100000000, 0.0067162600000000, -0.0059120700000000 ] - [ -0.0064017800000000, 0.0054998800000000, -0.0055291700000000 ] - [ -0.0064708400000000, 0.0055980800000000, -0.0052954900000000 ] - [ -0.0063908000000000, 0.0054973900000000, -0.0055172300000000 ] - [ -0.0117103300000000, 0.0060641700000000, 0.0013543400000000 ] - [ -0.0054182700000000, -0.0029866200000000, -0.0023953100000000 ] - [ -0.0053917600000000, -0.0030299500000000, -0.0025121100000000 ] - [ -0.0054144200000000, -0.0029890900000000, -0.0023942100000000 ]- atom: 57 displacement: [ -0.0007525109693321, 0.0000000000000000, 0.0099716461650539 ] forces: - [ 0.0092059700000000, -0.0026593300000000, -0.0033756400000000 ] - [ 0.0087142200000000, -0.0022729200000000, -0.0034077000000000 ] - [ 0.0085914000000000, -0.0018995100000000, -0.0037766600000000 ] - [ 0.0088304800000000, -0.0021359400000000, -0.0035319400000000 ] - [ 0.0852942000000000, 0.0000000000000000, 0.0647788600000000 ] - [ 0.0968685300000000, 0.0000000000000000, 0.0526018500000000 ] - [ 0.0972564500000000, 0.0000000000000000, 0.0516218400000000 ] - [ 0.0970143300000000, 0.0000000000000000, 0.0524901500000000 ] - [ -0.0087951700000000, -0.0020721500000000, 0.0035016400000000 ] - [ -0.0083131000000000, -0.0016863000000000, 0.0035404000000000 ] - [ -0.0086803500000000, -0.0022086200000000, 0.0033773800000000 ] - [ -0.0089160500000000, -0.0024429300000000, 0.0031338600000000 ] - [ 0.0092059700000000, 0.0026593300000000, -0.0033756400000000 ] - [ 0.0087142200000000, 0.0022729200000000, -0.0034077000000000 ] - [ 0.0085914000000000, 0.0018995100000000, -0.0037766600000000 ] - [ 0.0088304800000000, 0.0021359400000000, -0.0035319400000000 ] - [ -0.0970565700000000, 0.0000000000000000, -0.0525151000000000 ] - [ -0.1092573200000000, 0.0000000000000000, -0.0399364900000000 ] - [ -0.0969138500000000, 0.0000000000000000, -0.0526280400000000 ] - [ -0.0966760400000000, 0.0000000000000000, -0.0535162100000000 ] - [ -0.0087951700000000, 0.0020721500000000, 0.0035016400000000 ] - [ -0.0083131000000000, 0.0016863000000000, 0.0035404000000000 ] - [ -0.0086803500000000, 0.0022086200000000, 0.0033773800000000 ] - [ -0.0089160500000000, 0.0024429300000000, 0.0031338600000000 ] - [ 0.0088021000000000, -0.0022111200000000, -0.0034076400000000 ] - [ 0.0097057700000000, -0.0026483400000000, -0.0006679200000000 ] - [ 0.0087252900000000, -0.0021743500000000, -0.0034975300000000 ] - [ 0.0083966900000000, -0.0024935600000000, -0.0043109900000000 ] - [ 0.0970516400000000, 0.0000000000000000, 0.0526464300000000 ] - [ 0.0966658200000000, 0.0000000000000000, 0.0529544700000000 ] - [ 0.0969281100000000, 0.0000000000000000, 0.0525083000000000 ] - [ 0.0970353000000000, 0.0000000000000000, 0.0523750200000000 ] - [ -0.0076917200000000, -0.0015395000000000, 0.0064072700000000 ] - [ -0.0087080000000000, -0.0021323800000000, 0.0035020300000000 ] - [ -0.0091174700000000, -0.0018657700000000, 0.0026035500000000 ] - [ -0.0087848500000000, -0.0021696600000000, 0.0034112400000000 ] - [ 0.0088021000000000, 0.0022111200000000, -0.0034076400000000 ] - [ 0.0097057700000000, 0.0026483400000000, -0.0006679200000000 ] - [ 0.0087252900000000, 0.0021743500000000, -0.0034975300000000 ] - [ 0.0083966900000000, 0.0024935600000000, -0.0043109900000000 ] - [ -0.0972638900000000, 0.0000000000000000, -0.0521577300000000 ] - [ -0.0968760300000000, 0.0000000000000000, -0.0524710900000000 ] - [ -0.0968910800000000, 0.0000000000000000, -0.0527444400000000 ] - [ -0.0969974600000000, 0.0000000000000000, -0.0526088000000000 ] - [ -0.0076917200000000, 0.0015395000000000, 0.0064072700000000 ] - [ -0.0087080000000000, 0.0021323800000000, 0.0035020300000000 ] - [ -0.0091174700000000, 0.0018657700000000, 0.0026035500000000 ] - [ -0.0087848500000000, 0.0021696600000000, 0.0034112400000000 ] - [ 0.0000873100000000, 0.0000000000000000, 0.0087299300000000 ] - [ -0.0000029800000000, 0.0000000000000000, 0.0000060700000000 ] - [ 0.0001144800000000, 0.0000000000000000, 0.0088108200000000 ] - [ -0.0000038000000000, 0.0000000000000000, 0.0000051600000000 ] - [ -0.0002475000000000, 0.0000000000000000, 0.0002120800000000 ] - [ 0.0001687600000000, 0.0000000000000000, -0.0000336800000000 ] - [ 0.0001705300000000, 0.0000000000000000, -0.0000354900000000 ] - [ -0.0002457600000000, 0.0000000000000000, 0.0002087300000000 ] - [ 0.0231816900000000, 0.0000000000000000, -0.0522283200000000 ] - [ 0.0000040600000000, 0.0000000000000000, -0.0000159000000000 ] - [ -0.0001938200000000, 0.0000000000000000, -0.0005919100000000 ] - [ -0.0000020800000000, 0.0000000000000000, 0.0000233200000000 ] - [ 0.0055054200000000, 0.0028672800000000, 0.0022561600000000 ] - [ 0.0053747100000000, 0.0029933300000000, 0.0023459400000000 ] - [ 0.0054090400000000, 0.0030019900000000, 0.0024693500000000 ] - [ 0.0054529300000000, 0.0029981900000000, 0.0024359200000000 ] - [ 0.0058365900000000, -0.0040954200000000, 0.0056186900000000 ] - [ 0.0064551700000000, -0.0054757300000000, 0.0055413400000000 ] - [ 0.0065936300000000, -0.0054934600000000, 0.0060475400000000 ] - [ 0.0063515200000000, -0.0054765100000000, 0.0055295100000000 ] - [ -0.0287422300000000, 0.0000000000000000, 0.0051968100000000 ] - [ -0.0329694600000000, 0.0000000000000000, 0.0052932400000000 ] - [ -0.0328902800000000, 0.0000000000000000, 0.0056844000000000 ] - [ -0.0329680200000000, 0.0000000000000000, 0.0053429500000000 ] - [ -0.0054754400000000, 0.0029746700000000, -0.0024355100000000 ] - [ -0.0053440800000000, 0.0031017000000000, -0.0025249400000000 ] - [ -0.0053963900000000, 0.0029697400000000, -0.0023461800000000 ] - [ -0.0054412300000000, 0.0029648700000000, -0.0023123500000000 ] - [ 0.0058365900000000, 0.0040954200000000, 0.0056186900000000 ] - [ 0.0064551700000000, 0.0054757300000000, 0.0055413400000000 ] - [ 0.0065936300000000, 0.0054934600000000, 0.0060475400000000 ] - [ 0.0063515200000000, 0.0054765100000000, 0.0055295100000000 ] - [ -0.0063579900000000, -0.0055143100000000, -0.0055286300000000 ] - [ -0.0069825300000000, -0.0069159900000000, -0.0054514800000000 ] - [ -0.0064609700000000, -0.0055138900000000, -0.0055397700000000 ] - [ -0.0062208200000000, -0.0054967100000000, -0.0050256800000000 ] - [ 0.0055054200000000, -0.0028672800000000, 0.0022561600000000 ] - [ 0.0053747100000000, -0.0029933300000000, 0.0023459400000000 ] - [ 0.0054090400000000, -0.0030019900000000, 0.0024693500000000 ] - [ 0.0054529300000000, -0.0029981900000000, 0.0024359200000000 ] - [ 0.0329943100000000, 0.0000000000000000, -0.0053514300000000 ] - [ 0.0372885200000000, 0.0000000000000000, -0.0053898400000000 ] - [ 0.0329965600000000, 0.0000000000000000, -0.0053026100000000 ] - [ 0.0330744400000000, 0.0000000000000000, -0.0049631300000000 ] - [ -0.0063579900000000, 0.0055143100000000, -0.0055286300000000 ] - [ -0.0069825300000000, 0.0069159900000000, -0.0054514800000000 ] - [ -0.0064609700000000, 0.0055138900000000, -0.0055397700000000 ] - [ -0.0062208200000000, 0.0054967100000000, -0.0050256800000000 ] - [ -0.0054754400000000, -0.0029746700000000, -0.0024355100000000 ] - [ -0.0053440800000000, -0.0031017000000000, -0.0025249400000000 ] - [ -0.0053963900000000, -0.0029697400000000, -0.0023461800000000 ] - [ -0.0054412300000000, -0.0029648700000000, -0.0023123500000000 ] - [ -0.0000004700000000, 0.0000000000000000, -0.0000993200000000 ] - [ -0.0000004900000000, 0.0000000000000000, -0.0000991800000000 ] - [ 0.0000004800000000, 0.0000000000000000, 0.0000686100000000 ] - [ -0.0000001700000000, 0.0000000000000000, 0.0000683900000000 ] - [ 0.0054242700000000, 0.0029908000000000, 0.0023704600000000 ] - [ 0.0026220400000000, 0.0079244100000000, 0.0026560400000000 ] - [ 0.0054088500000000, 0.0029890600000000, 0.0024129900000000 ] - [ 0.0054666200000000, 0.0029413200000000, 0.0025042900000000 ] - [ 0.0063867300000000, -0.0054839200000000, 0.0055343100000000 ] - [ 0.0066070300000000, -0.0062148300000000, 0.0055772600000000 ] - [ 0.0064058200000000, -0.0054800800000000, 0.0055329400000000 ] - [ 0.0064259500000000, -0.0055032900000000, 0.0055833000000000 ] - [ -0.0329911100000000, 0.0000000000000000, 0.0052911500000000 ] - [ -0.0330495400000000, 0.0000000000000000, 0.0051983900000000 ] - [ -0.0329871600000000, 0.0000000000000000, 0.0053481600000000 ] - [ -0.0329851900000000, 0.0000000000000000, 0.0054107000000000 ] - [ -0.0082421000000000, -0.0019891200000000, -0.0020752400000000 ] - [ -0.0054262500000000, 0.0029767200000000, -0.0024108300000000 ] - [ -0.0053835900000000, 0.0030263500000000, -0.0022777800000000 ] - [ -0.0054419300000000, 0.0029786800000000, -0.0023681500000000 ] - [ 0.0063867300000000, 0.0054839200000000, 0.0055343100000000 ] - [ 0.0066070300000000, 0.0062148300000000, 0.0055772600000000 ] - [ 0.0064058200000000, 0.0054800800000000, 0.0055329400000000 ] - [ 0.0064259500000000, 0.0055032900000000, 0.0055833000000000 ] - [ -0.0062074000000000, -0.0047637500000000, -0.0054902900000000 ] - [ -0.0064267900000000, -0.0055067900000000, -0.0055356300000000 ] - [ -0.0063880300000000, -0.0054870200000000, -0.0054828500000000 ] - [ -0.0064074800000000, -0.0055106400000000, -0.0055367400000000 ] - [ 0.0054242700000000, -0.0029908000000000, 0.0023704600000000 ] - [ 0.0026220400000000, -0.0079244100000000, 0.0026560400000000 ] - [ 0.0054088500000000, -0.0029890600000000, 0.0024129900000000 ] - [ 0.0054666200000000, -0.0029413200000000, 0.0025042900000000 ] - [ 0.0329120400000000, 0.0000000000000000, -0.0054485300000000 ] - [ 0.0329725700000000, 0.0000000000000000, -0.0053555000000000 ] - [ 0.0329787400000000, 0.0000000000000000, -0.0052355900000000 ] - [ 0.0329764700000000, 0.0000000000000000, -0.0052982400000000 ] - [ -0.0062074000000000, 0.0047637500000000, -0.0054902900000000 ] - [ -0.0064267900000000, 0.0055067900000000, -0.0055356300000000 ] - [ -0.0063880300000000, 0.0054870200000000, -0.0054828500000000 ] - [ -0.0064074800000000, 0.0055106400000000, -0.0055367400000000 ] - [ -0.0082421000000000, 0.0019891200000000, -0.0020752400000000 ] - [ -0.0054262500000000, -0.0029767200000000, -0.0024108300000000 ] - [ -0.0053835900000000, -0.0030263500000000, -0.0022777800000000 ] - [ -0.0054419300000000, -0.0029786800000000, -0.0023681500000000 ]- atom: 61 displacement: [ 0.0099998730498564, 0.0000000000000000, 0.0000503883593317 ] forces: - [ 0.0125509100000000, -0.0028091400000000, -0.0021222400000000 ] - [ 0.0084152100000000, -0.0020426500000000, -0.0034946700000000 ] - [ 0.0100282800000000, -0.0028100700000000, -0.0026459100000000 ] - [ 0.0083632000000000, -0.0020479900000000, -0.0035450600000000 ] - [ 0.0975653000000000, 0.0004832600000000, 0.0521111400000000 ] - [ 0.0967063300000000, -0.0000209300000000, 0.0525842100000000 ] - [ 0.0969769200000000, 0.0004406300000000, 0.0530296900000000 ] - [ 0.0967200500000000, -0.0000522300000000, 0.0525583200000000 ] - [ 0.0051171500000000, -0.0052715200000000, 0.0061404900000000 ] - [ -0.0092004300000000, -0.0024027300000000, 0.0033640400000000 ] - [ -0.0085011400000000, -0.0020755000000000, 0.0037169000000000 ] - [ -0.0090225400000000, -0.0023509600000000, 0.0034009700000000 ] - [ 0.0099205600000000, 0.0025900500000000, -0.0029507100000000 ] - [ 0.0084550800000000, 0.0020522700000000, -0.0034924700000000 ] - [ 0.0093434600000000, 0.0028066300000000, -0.0036481600000000 ] - [ 0.0084460900000000, 0.0020629700000000, -0.0035016800000000 ] - [ -0.0972393900000000, -0.0004919800000000, -0.0524922900000000 ] - [ -0.0973167800000000, -0.0000183900000000, -0.0528129800000000 ] - [ -0.0969621100000000, -0.0000989800000000, -0.0525110600000000 ] - [ -0.0970527400000000, 0.0000650500000000, -0.0525013500000000 ] - [ -0.0085287800000000, 0.0028839100000000, 0.0028934000000000 ] - [ -0.0090732600000000, 0.0023622900000000, 0.0034046500000000 ] - [ -0.0085581500000000, 0.0022374400000000, 0.0036444600000000 ] - [ -0.0089745500000000, 0.0023002600000000, 0.0034152900000000 ] - [ 0.0085839800000000, -0.0022285100000000, -0.0033204300000000 ] - [ 0.0085902300000000, -0.0018583100000000, -0.0035603700000000 ] - [ 0.0087451300000000, -0.0021790900000000, -0.0035647500000000 ] - [ 0.0085700300000000, -0.0016691800000000, -0.0030362600000000 ] - [ 0.0967237500000000, 0.0009633000000000, 0.0538730300000000 ] - [ 0.0967754700000000, -0.0000357700000000, 0.0525350300000000 ] - [ 0.0971817000000000, 0.0003787900000000, 0.0519594000000000 ] - [ 0.0967228100000000, -0.0000946900000000, 0.0526632100000000 ] - [ -0.0085262400000000, -0.0013781700000000, 0.0034512600000000 ] - [ -0.0090783200000000, -0.0023163400000000, 0.0033933800000000 ] - [ -0.0084936400000000, -0.0018258300000000, 0.0034812000000000 ] - [ -0.0089795800000000, -0.0023676900000000, 0.0034601300000000 ] - [ 0.0078329800000000, 0.0013612700000000, -0.0029169400000000 ] - [ 0.0076157300000000, 0.0023097700000000, -0.0038097900000000 ] - [ 0.0084314500000000, 0.0016121200000000, -0.0041052500000000 ] - [ 0.0083871100000000, 0.0020565800000000, -0.0032331500000000 ] - [ -0.0921738300000000, 0.0021735700000000, -0.0528100000000000 ] - [ -0.0972688100000000, 0.0000379600000000, -0.0525192500000000 ] - [ -0.0968508700000000, -0.0000066300000000, -0.0525123700000000 ] - [ -0.0971684200000000, 0.0000114800000000, -0.0525466000000000 ] - [ -0.0059040700000000, 0.0035579900000000, 0.0053576500000000 ] - [ -0.0092672300000000, 0.0021624800000000, 0.0033753000000000 ] - [ -0.0084004100000000, 0.0018661200000000, 0.0035323000000000 ] - [ -0.0090015300000000, 0.0023083300000000, 0.0034319600000000 ] - [ -0.0000949800000000, -0.0003882200000000, 0.0003969100000000 ] - [ 0.0003324300000000, 0.0002427900000000, -0.0002616700000000 ] - [ 0.0013115800000000, -0.0023774000000000, -0.0020119200000000 ] - [ 0.0003737500000000, 0.0002716700000000, 0.0000626100000000 ] - [ -0.0007908100000000, 0.0002348200000000, -0.0003859200000000 ] - [ 0.0003055000000000, 0.0000139900000000, -0.0000300100000000 ] - [ -0.0025033100000000, -0.0025320600000000, 0.0019105600000000 ] - [ 0.0004019500000000, 0.0000231100000000, -0.0000693800000000 ] - [ 0.0001248700000000, -0.0002843800000000, 0.0000890800000000 ] - [ 0.0001333400000000, 0.0000622000000000, -0.0000394300000000 ] - [ 0.0000062200000000, -0.0000479400000000, -0.0000150400000000 ] - [ 0.0000687300000000, 0.0000427600000000, 0.0000324100000000 ] - [ -0.0365589700000000, 0.0131315400000000, 0.0014295100000000 ] - [ 0.0056021900000000, 0.0029167800000000, 0.0023880700000000 ] - [ 0.0051889600000000, 0.0030441900000000, 0.0023325400000000 ] - [ 0.0055791700000000, 0.0029230800000000, 0.0023926200000000 ] - [ 0.0060399100000000, -0.0052375100000000, 0.0053854400000000 ] - [ 0.0065322700000000, -0.0055895400000000, 0.0055657700000000 ] - [ 0.0057558300000000, -0.0053907200000000, 0.0045125300000000 ] - [ 0.0065563600000000, -0.0055802900000000, 0.0055963000000000 ] - [ -0.0332564000000000, -0.0008334200000000, 0.0056107500000000 ] - [ -0.0328742300000000, 0.0000123400000000, 0.0053360000000000 ] - [ -0.0330804700000000, 0.0000254200000000, 0.0051892100000000 ] - [ -0.0328949800000000, 0.0000047200000000, 0.0053511900000000 ] - [ 0.0012576300000000, 0.0023286300000000, -0.0079217000000000 ] - [ -0.0052590800000000, 0.0030705700000000, -0.0023789000000000 ] - [ -0.0057024300000000, 0.0028726500000000, -0.0022969700000000 ] - [ -0.0052413700000000, 0.0030739700000000, -0.0024214700000000 ] - [ 0.0062027600000000, 0.0052577200000000, 0.0054954900000000 ] - [ 0.0065236500000000, 0.0055974300000000, 0.0055652500000000 ] - [ 0.0062225000000000, 0.0052683200000000, 0.0054255100000000 ] - [ 0.0065329200000000, 0.0055894900000000, 0.0055749100000000 ] - [ -0.0056413200000000, -0.0043808000000000, -0.0047060300000000 ] - [ -0.0062425300000000, -0.0053671800000000, -0.0054968700000000 ] - [ -0.0064644100000000, -0.0054676700000000, -0.0057460800000000 ] - [ -0.0062348400000000, -0.0053876200000000, -0.0053569600000000 ] - [ 0.0048641500000000, -0.0031634900000000, 0.0025689500000000 ] - [ 0.0055781900000000, -0.0029259400000000, 0.0023897900000000 ] - [ 0.0052214800000000, -0.0030633900000000, 0.0024166300000000 ] - [ 0.0055504700000000, -0.0029273900000000, 0.0023904400000000 ] - [ 0.0330536800000000, 0.0001495900000000, -0.0053312700000000 ] - [ 0.0330853600000000, -0.0000892900000000, -0.0052916300000000 ] - [ 0.0329140900000000, 0.0000770900000000, -0.0052581300000000 ] - [ 0.0330727800000000, -0.0000506900000000, -0.0053607300000000 ] - [ -0.0064639300000000, 0.0055122100000000, -0.0054826800000000 ] - [ -0.0062448900000000, 0.0053109900000000, -0.0055299500000000 ] - [ -0.0064688600000000, 0.0055327600000000, -0.0055939200000000 ] - [ -0.0063076000000000, 0.0053903700000000, -0.0054862100000000 ] - [ -0.0052746800000000, -0.0034111800000000, -0.0026338300000000 ] - [ -0.0052880600000000, -0.0030529000000000, -0.0023837700000000 ] - [ -0.0055664500000000, -0.0029875200000000, -0.0024275300000000 ] - [ -0.0053209700000000, -0.0030308100000000, -0.0024117300000000 ] - [ 0.0012873400000000, -0.0063493000000000, -0.0027268300000000 ] - [ 0.0001257800000000, 0.0000048300000000, 0.0000096400000000 ] - [ -0.0001852200000000, 0.0000305800000000, 0.0000270300000000 ] - [ 0.0001131300000000, 0.0000075600000000, -0.0000091200000000 ] - [ 0.0055183900000000, 0.0029202700000000, 0.0023979500000000 ] - [ 0.0055189900000000, 0.0028526400000000, 0.0024536900000000 ] - [ 0.0054447600000000, 0.0030090600000000, 0.0023985900000000 ] - [ 0.0054455000000000, 0.0028976300000000, 0.0023607600000000 ] - [ 0.0064599000000000, -0.0055607700000000, 0.0054468200000000 ] - [ 0.0064636700000000, -0.0055935100000000, 0.0055817800000000 ] - [ 0.0064208700000000, -0.0056038100000000, 0.0056020600000000 ] - [ 0.0064957600000000, -0.0055906000000000, 0.0055601400000000 ] - [ -0.0325604600000000, -0.0012350700000000, 0.0045923500000000 ] - [ -0.0328882700000000, 0.0000238600000000, 0.0053628100000000 ] - [ -0.0330118400000000, -0.0000088300000000, 0.0053310700000000 ] - [ -0.0329453700000000, 0.0000111800000000, 0.0053421900000000 ] - [ -0.0055238300000000, 0.0028849300000000, -0.0023312600000000 ] - [ -0.0053035300000000, 0.0030526200000000, -0.0024059800000000 ] - [ -0.0054920000000000, 0.0028689000000000, -0.0023976200000000 ] - [ -0.0053270900000000, 0.0030451600000000, -0.0023871300000000 ] - [ 0.0066331100000000, 0.0053589500000000, 0.0051101600000000 ] - [ 0.0065218600000000, 0.0056631700000000, 0.0056286800000000 ] - [ 0.0078035100000000, 0.0057520300000000, 0.0080043600000000 ] - [ 0.0066326600000000, 0.0056312400000000, 0.0055743000000000 ] - [ -0.0064046000000000, -0.0055007000000000, -0.0059360200000000 ] - [ -0.0062853500000000, -0.0054116200000000, -0.0054857900000000 ] - [ -0.0065698500000000, -0.0055906700000000, -0.0056050000000000 ] - [ -0.0063104200000000, -0.0054069000000000, -0.0055002100000000 ] - [ 0.0058850800000000, -0.0026180500000000, 0.0023267500000000 ] - [ 0.0058823900000000, -0.0029924000000000, 0.0023398700000000 ] - [ 0.0054373300000000, -0.0029814300000000, 0.0024030500000000 ] - [ 0.0054384700000000, -0.0029216900000000, 0.0023397900000000 ] - [ 0.0327239200000000, 0.0009008700000000, -0.0048165200000000 ] - [ 0.0330898400000000, -0.0000057000000000, -0.0053140200000000 ] - [ 0.0328189500000000, 0.0000750500000000, -0.0054551900000000 ] - [ 0.0330829800000000, -0.0000108700000000, -0.0052982100000000 ] - [ -0.0038353800000000, 0.0074219900000000, -0.0093703300000000 ] - [ -0.0062112000000000, 0.0053886100000000, -0.0054839200000000 ] - [ -0.0067582200000000, 0.0057113800000000, -0.0057548000000000 ] - [ -0.0062835700000000, 0.0054020700000000, -0.0054966800000000 ] - [ 0.0007377900000000, -0.0055813700000000, 0.0026905400000000 ] - [ -0.0052203500000000, -0.0030381100000000, -0.0024362400000000 ] - [ -0.0054853800000000, -0.0029414900000000, -0.0025350500000000 ] - [ -0.0052232600000000, -0.0030167800000000, -0.0023408800000000 ]- atom: 61 displacement: [ -0.0099998730498564, 0.0000000000000000, -0.0000503883593317 ] forces: - [ 0.0049875000000000, -0.0015573600000000, -0.0048131900000000 ] - [ 0.0090926700000000, -0.0023005700000000, -0.0034159900000000 ] - [ 0.0074713900000000, -0.0015299000000000, -0.0042659400000000 ] - [ 0.0091439900000000, -0.0022966600000000, -0.0033670500000000 ] - [ 0.0963579400000000, -0.0004826700000000, 0.0530034000000000 ] - [ 0.0972253000000000, 0.0000207300000000, 0.0525345000000000 ] - [ 0.0969562300000000, -0.0004408600000000, 0.0520901100000000 ] - [ 0.0972101200000000, 0.0000516300000000, 0.0525580800000000 ] - [ -0.0218519600000000, 0.0006747900000000, 0.0010683800000000 ] - [ -0.0083068800000000, -0.0019417100000000, 0.0035471100000000 ] - [ -0.0090066900000000, -0.0022665000000000, 0.0031977300000000 ] - [ -0.0084854500000000, -0.0019923800000000, 0.0035099600000000 ] - [ 0.0075872000000000, 0.0017519100000000, -0.0039626900000000 ] - [ 0.0090529900000000, 0.0022913000000000, -0.0034183100000000 ] - [ 0.0081708600000000, 0.0015354300000000, -0.0032602600000000 ] - [ 0.0090617300000000, 0.0022819400000000, -0.0034101400000000 ] - [ -0.0966904800000000, 0.0004876400000000, -0.0526222500000000 ] - [ -0.0966185400000000, 0.0000189200000000, -0.0523057400000000 ] - [ -0.0969686700000000, 0.0000984600000000, -0.0526077400000000 ] - [ -0.0968795200000000, -0.0000652500000000, -0.0526161100000000 ] - [ -0.0089691300000000, 0.0014556700000000, 0.0040185500000000 ] - [ -0.0084354800000000, 0.0019828200000000, 0.0035059200000000 ] - [ -0.0089433900000000, 0.0021043600000000, 0.0032659200000000 ] - [ -0.0085338400000000, 0.0020435200000000, 0.0034955700000000 ] - [ 0.0089256700000000, -0.0021152300000000, -0.0035895000000000 ] - [ 0.0089158300000000, -0.0024855100000000, -0.0033492000000000 ] - [ 0.0087638900000000, -0.0021659500000000, -0.0033464300000000 ] - [ 0.0089366100000000, -0.0026781900000000, -0.0038784700000000 ] - [ 0.0972156200000000, -0.0009578700000000, 0.0512460000000000 ] - [ 0.0971553200000000, 0.0000360000000000, 0.0525834900000000 ] - [ 0.0967490500000000, -0.0003741000000000, 0.0531526300000000 ] - [ 0.0972082400000000, 0.0000954100000000, 0.0524540800000000 ] - [ -0.0089846200000000, -0.0029676900000000, 0.0034583900000000 ] - [ -0.0084291300000000, -0.0020273800000000, 0.0035176200000000 ] - [ -0.0090153000000000, -0.0025196500000000, 0.0034284400000000 ] - [ -0.0085267700000000, -0.0019750800000000, 0.0034502700000000 ] - [ 0.0096721000000000, 0.0029754100000000, -0.0039899800000000 ] - [ 0.0098958200000000, 0.0020318100000000, -0.0030993500000000 ] - [ 0.0090758300000000, 0.0027250700000000, -0.0028119100000000 ] - [ 0.0091193600000000, 0.0022854200000000, -0.0036779600000000 ] - [ -0.1017718800000000, -0.0022157500000000, -0.0522746400000000 ] - [ -0.0966630200000000, -0.0000373700000000, -0.0525980000000000 ] - [ -0.0970884900000000, 0.0000097300000000, -0.0526044100000000 ] - [ -0.0967629000000000, -0.0000111600000000, -0.0525718100000000 ] - [ -0.0118406200000000, 0.0009092100000000, 0.0016184800000000 ] - [ -0.0082423200000000, 0.0021793800000000, 0.0035352700000000 ] - [ -0.0091093900000000, 0.0024773200000000, 0.0033764000000000 ] - [ -0.0085042500000000, 0.0020334200000000, 0.0034779500000000 ] - [ 0.0000976700000000, 0.0003924200000000, -0.0004004200000000 ] - [ -0.0003324100000000, -0.0002412500000000, 0.0002609500000000 ] - [ -0.0013208000000000, 0.0024014400000000, 0.0020325500000000 ] - [ -0.0003731200000000, -0.0002692100000000, -0.0000627800000000 ] - [ 0.0007759200000000, -0.0002154300000000, 0.0003980600000000 ] - [ -0.0003054200000000, -0.0000144800000000, 0.0000294100000000 ] - [ 0.0024828700000000, 0.0025205900000000, -0.0019099400000000 ] - [ -0.0004013400000000, -0.0000238200000000, 0.0000694400000000 ] - [ -0.0001248500000000, 0.0002860100000000, -0.0000907200000000 ] - [ -0.0001335600000000, -0.0000613100000000, 0.0000402100000000 ] - [ -0.0000054300000000, 0.0000480800000000, 0.0000158900000000 ] - [ -0.0000683700000000, -0.0000424400000000, -0.0000332500000000 ] - [ 0.0468613800000000, -0.0069729700000000, 0.0031511200000000 ] - [ 0.0052469700000000, 0.0030502300000000, 0.0023961800000000 ] - [ 0.0056600100000000, 0.0029236800000000, 0.0024512800000000 ] - [ 0.0052701500000000, 0.0030440100000000, 0.0023922500000000 ] - [ 0.0067769900000000, -0.0057576400000000, 0.0056856100000000 ] - [ 0.0062825700000000, -0.0054012900000000, 0.0055018200000000 ] - [ 0.0070651500000000, -0.0056085200000000, 0.0065439300000000 ] - [ 0.0062582500000000, -0.0054100900000000, 0.0054720300000000 ] - [ -0.0326988000000000, 0.0008208700000000, 0.0050352300000000 ] - [ -0.0330917800000000, -0.0000122400000000, 0.0053134600000000 ] - [ -0.0328853400000000, -0.0000256600000000, 0.0054596600000000 ] - [ -0.0330712400000000, -0.0000046800000000, 0.0052975700000000 ] - [ -0.0119891000000000, 0.0036249900000000, 0.0030219300000000 ] - [ -0.0055906100000000, 0.0028965000000000, -0.0024047500000000 ] - [ -0.0051462300000000, 0.0030911900000000, -0.0024851300000000 ] - [ -0.0056077500000000, 0.0028931800000000, -0.0023613000000000 ] - [ 0.0066125900000000, 0.0057331000000000, 0.0055741500000000 ] - [ 0.0062911100000000, 0.0053933700000000, 0.0055036100000000 ] - [ 0.0065921400000000, 0.0057235500000000, 0.0056440500000000 ] - [ 0.0062814500000000, 0.0054009200000000, 0.0054943000000000 ] - [ -0.0071642900000000, -0.0065975800000000, -0.0063537600000000 ] - [ -0.0065719300000000, -0.0056233100000000, -0.0055725500000000 ] - [ -0.0063513400000000, -0.0055231700000000, -0.0053250200000000 ] - [ -0.0065797700000000, -0.0056028900000000, -0.0057136500000000 ] - [ 0.0059851200000000, -0.0028007000000000, 0.0022157000000000 ] - [ 0.0052709200000000, -0.0030413400000000, 0.0023931700000000 ] - [ 0.0056278800000000, -0.0029011000000000, 0.0023653300000000 ] - [ 0.0052991600000000, -0.0030398500000000, 0.0023930800000000 ] - [ 0.0329114100000000, -0.0001490900000000, -0.0053172400000000 ] - [ 0.0328816700000000, 0.0000905400000000, -0.0053559200000000 ] - [ 0.0330514700000000, -0.0000763400000000, -0.0053909600000000 ] - [ 0.0328935800000000, 0.0000509700000000, -0.0052879100000000 ] - [ -0.0063512800000000, 0.0054804000000000, -0.0055862900000000 ] - [ -0.0065695800000000, 0.0056799500000000, -0.0055381100000000 ] - [ -0.0063467400000000, 0.0054592800000000, -0.0054738100000000 ] - [ -0.0065065600000000, 0.0055998900000000, -0.0055817100000000 ] - [ -0.0055750200000000, -0.0025544700000000, -0.0021501400000000 ] - [ -0.0055612100000000, -0.0029145000000000, -0.0024010100000000 ] - [ -0.0052826200000000, -0.0029809000000000, -0.0023562700000000 ] - [ -0.0055274700000000, -0.0029366900000000, -0.0023723600000000 ] - [ -0.0013113800000000, 0.0063208900000000, 0.0027088900000000 ] - [ -0.0001255300000000, -0.0000049400000000, -0.0000081400000000 ] - [ 0.0001846400000000, -0.0000312700000000, -0.0000280800000000 ] - [ -0.0001131200000000, -0.0000076200000000, 0.0000078600000000 ] - [ 0.0053297800000000, 0.0030471700000000, 0.0023859400000000 ] - [ 0.0053307300000000, 0.0031145900000000, 0.0023305100000000 ] - [ 0.0054039800000000, 0.0029593200000000, 0.0023860600000000 ] - [ 0.0054043600000000, 0.0030692300000000, 0.0024236400000000 ] - [ 0.0063538900000000, -0.0054293000000000, 0.0056214700000000 ] - [ 0.0063512500000000, -0.0053973100000000, 0.0054859700000000 ] - [ 0.0063919400000000, -0.0053866500000000, 0.0054650600000000 ] - [ 0.0063194900000000, -0.0054004500000000, 0.0055079800000000 ] - [ -0.0334002100000000, 0.0012173700000000, 0.0060459800000000 ] - [ -0.0330780500000000, -0.0000240900000000, 0.0052868700000000 ] - [ -0.0329546200000000, 0.0000080000000000, 0.0053156200000000 ] - [ -0.0330208500000000, -0.0000114100000000, 0.0053073600000000 ] - [ -0.0053235300000000, 0.0030829600000000, -0.0024514200000000 ] - [ -0.0055460500000000, 0.0029150900000000, -0.0023772900000000 ] - [ -0.0053562600000000, 0.0030992700000000, -0.0023856200000000 ] - [ -0.0055221000000000, 0.0029220900000000, -0.0023953100000000 ] - [ 0.0061832500000000, 0.0056286600000000, 0.0059553700000000 ] - [ 0.0062926600000000, 0.0053268000000000, 0.0054401400000000 ] - [ 0.0050343000000000, 0.0052426300000000, 0.0031012700000000 ] - [ 0.0061813000000000, 0.0053589500000000, 0.0054948100000000 ] - [ -0.0063986700000000, -0.0054792500000000, -0.0051385900000000 ] - [ -0.0065287200000000, -0.0055791900000000, -0.0055832300000000 ] - [ -0.0062433800000000, -0.0053985500000000, -0.0054643100000000 ] - [ -0.0065038600000000, -0.0055836200000000, -0.0055690800000000 ] - [ 0.0049673000000000, -0.0033453700000000, 0.0024531400000000 ] - [ 0.0049643000000000, -0.0029745900000000, 0.0024418300000000 ] - [ 0.0054112200000000, -0.0029868700000000, 0.0023805200000000 ] - [ 0.0054115600000000, -0.0030449200000000, 0.0024433900000000 ] - [ 0.0332474400000000, -0.0009071800000000, -0.0058389000000000 ] - [ 0.0328766900000000, 0.0000055400000000, -0.0053356500000000 ] - [ 0.0331484200000000, -0.0000739900000000, -0.0051929300000000 ] - [ 0.0328837200000000, 0.0000107700000000, -0.0053511800000000 ] - [ -0.0090089700000000, 0.0035430200000000, -0.0016379500000000 ] - [ -0.0066022200000000, 0.0056017800000000, -0.0055840700000000 ] - [ -0.0060536800000000, 0.0052802800000000, -0.0053104000000000 ] - [ -0.0065306600000000, 0.0055883900000000, -0.0055715100000000 ] - [ -0.0116993200000000, -0.0003258100000000, -0.0075903600000000 ] - [ -0.0056283300000000, -0.0029294600000000, -0.0023486900000000 ] - [ -0.0053628200000000, -0.0030257200000000, -0.0022488400000000 ] - [ -0.0056248500000000, -0.0029499500000000, -0.0024422200000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0080747600000000, 0.0018647100000000, -0.0008468200000000 ] - [ 0.0089050200000000, -0.0021884400000000, -0.0034304500000000 ] - [ 0.0082169600000000, -0.0005650900000000, -0.0041727800000000 ] - [ 0.0089206200000000, -0.0021862900000000, -0.0034196200000000 ] - [ 0.0972726400000000, -0.0006225700000000, 0.0536342500000000 ] - [ 0.0970691900000000, -0.0000053300000000, 0.0525577000000000 ] - [ 0.0973232800000000, -0.0006667300000000, 0.0521463300000000 ] - [ 0.0970599700000000, -0.0000119400000000, 0.0525512800000000 ] - [ -0.0134969200000000, 0.0031238200000000, 0.0021248600000000 ] - [ -0.0085957000000000, -0.0019784100000000, 0.0034519800000000 ] - [ -0.0089174400000000, -0.0018207000000000, 0.0034699600000000 ] - [ -0.0086397200000000, -0.0020388500000000, 0.0034797500000000 ] - [ 0.0082746600000000, 0.0011293600000000, -0.0042266400000000 ] - [ 0.0089006300000000, 0.0021989600000000, -0.0034313500000000 ] - [ 0.0086721600000000, 0.0014277600000000, -0.0029511700000000 ] - [ 0.0088982000000000, 0.0021992400000000, -0.0034376900000000 ] - [ -0.0973148300000000, -0.0003250300000000, -0.0525459000000000 ] - [ -0.0967303700000000, 0.0000002200000000, -0.0524147700000000 ] - [ -0.0969339100000000, -0.0000402600000000, -0.0525964000000000 ] - [ -0.0969454100000000, -0.0000510300000000, -0.0525831800000000 ] - [ -0.0082729400000000, 0.0012187700000000, 0.0041560900000000 ] - [ -0.0086675100000000, 0.0020149200000000, 0.0034347200000000 ] - [ -0.0085985100000000, 0.0019621500000000, 0.0033386900000000 ] - [ -0.0086767600000000, 0.0020728600000000, 0.0034682500000000 ] - [ 0.0090095800000000, -0.0025348800000000, -0.0035302700000000 ] - [ 0.0087970700000000, -0.0024681000000000, -0.0033984200000000 ] - [ 0.0088703900000000, -0.0023964400000000, -0.0034125700000000 ] - [ 0.0088279100000000, -0.0026170600000000, -0.0036951000000000 ] - [ 0.0977211300000000, 0.0007130200000000, 0.0515802100000000 ] - [ 0.0969789200000000, 0.0000306400000000, 0.0525355100000000 ] - [ 0.0968655200000000, -0.0001214300000000, 0.0528607900000000 ] - [ 0.0969891100000000, 0.0000525300000000, 0.0525533800000000 ] - [ -0.0085500200000000, -0.0039394200000000, 0.0028911200000000 ] - [ -0.0085899700000000, -0.0021816700000000, 0.0034785100000000 ] - [ -0.0090530700000000, -0.0026767300000000, 0.0034741200000000 ] - [ -0.0086062900000000, -0.0021633900000000, 0.0034798100000000 ] - [ 0.0087570400000000, 0.0023246700000000, -0.0034032000000000 ] - [ 0.0093233100000000, 0.0021535000000000, -0.0032334100000000 ] - [ 0.0085876800000000, 0.0026855100000000, -0.0036519400000000 ] - [ 0.0089218300000000, 0.0023639400000000, -0.0035302400000000 ] - [ -0.0962403900000000, 0.0103251200000000, -0.0544788600000000 ] - [ -0.0968295900000000, -0.0000022200000000, -0.0525716700000000 ] - [ -0.0971763900000000, -0.0000394800000000, -0.0523848000000000 ] - [ -0.0968541400000000, 0.0000070100000000, -0.0525598500000000 ] - [ -0.0074053000000000, 0.0019712700000000, 0.0014250500000000 ] - [ -0.0086211700000000, 0.0021794600000000, 0.0034524000000000 ] - [ -0.0089157100000000, 0.0025374800000000, 0.0035205200000000 ] - [ -0.0086123700000000, 0.0021557500000000, 0.0034772100000000 ] - [ -0.0000299900000000, 0.0002552600000000, -0.0003504600000000 ] - [ -0.0001324200000000, 0.0000553500000000, 0.0000409100000000 ] - [ -0.0011358900000000, 0.0016657400000000, 0.0013827200000000 ] - [ -0.0000029100000000, 0.0000652800000000, 0.0000809700000000 ] - [ 0.0000273800000000, -0.0001057400000000, 0.0004236900000000 ] - [ -0.0001251500000000, -0.0000206800000000, 0.0000174600000000 ] - [ -0.0012604600000000, 0.0012204600000000, -0.0031072700000000 ] - [ -0.0001394200000000, -0.0000285700000000, 0.0000408500000000 ] - [ -0.0001637900000000, 0.0001902800000000, -0.0001312900000000 ] - [ -0.0000198000000000, 0.0000123700000000, 0.0000083700000000 ] - [ -0.0000055100000000, 0.0000443000000000, 0.0000187500000000 ] - [ -0.0000366300000000, 0.0000040700000000, 0.0000110900000000 ] - [ 0.0155410000000000, -0.0309133600000000, 0.0035000600000000 ] - [ 0.0053583400000000, 0.0029976500000000, 0.0023959000000000 ] - [ 0.0054871800000000, 0.0028796100000000, 0.0023343900000000 ] - [ 0.0053645800000000, 0.0029972300000000, 0.0023953000000000 ] - [ 0.0064386200000000, -0.0057920500000000, 0.0053736300000000 ] - [ 0.0063524000000000, -0.0054649600000000, 0.0055178900000000 ] - [ 0.0059714800000000, -0.0048800500000000, 0.0082392400000000 ] - [ 0.0063486700000000, -0.0054681800000000, 0.0055192500000000 ] - [ -0.0344614700000000, 0.0036173800000000, 0.0052798900000000 ] - [ -0.0330234600000000, 0.0000057200000000, 0.0053205600000000 ] - [ -0.0329392800000000, 0.0000096900000000, 0.0053949100000000 ] - [ -0.0330234300000000, 0.0000038800000000, 0.0053194600000000 ] - [ -0.0047996400000000, 0.0011487300000000, -0.0025953100000000 ] - [ -0.0055129700000000, 0.0029190800000000, -0.0023976300000000 ] - [ -0.0053158100000000, 0.0026654500000000, -0.0024028200000000 ] - [ -0.0055165400000000, 0.0029147600000000, -0.0023839800000000 ] - [ 0.0065656500000000, 0.0058165900000000, 0.0055830000000000 ] - [ 0.0063536700000000, 0.0054691000000000, 0.0055172900000000 ] - [ 0.0065296000000000, 0.0059472100000000, 0.0056587900000000 ] - [ 0.0063483900000000, 0.0054673500000000, 0.0055139400000000 ] - [ -0.0055895300000000, -0.0056865600000000, -0.0049945000000000 ] - [ -0.0064949500000000, -0.0055862700000000, -0.0055468700000000 ] - [ -0.0063938900000000, -0.0055641000000000, -0.0055690000000000 ] - [ -0.0065019400000000, -0.0055682800000000, -0.0056234600000000 ] - [ 0.0056082200000000, -0.0020810600000000, 0.0026647100000000 ] - [ 0.0053674500000000, -0.0029964700000000, 0.0023938600000000 ] - [ 0.0055075000000000, -0.0027416700000000, 0.0023242300000000 ] - [ 0.0053692000000000, -0.0030008200000000, 0.0023920700000000 ] - [ 0.0331114900000000, 0.0001009600000000, -0.0053828600000000 ] - [ 0.0328878200000000, 0.0000589300000000, -0.0053550800000000 ] - [ 0.0330231700000000, 0.0000285000000000, -0.0053128900000000 ] - [ 0.0329393500000000, 0.0000383900000000, -0.0053326900000000 ] - [ -0.0064305500000000, 0.0057428300000000, -0.0056019900000000 ] - [ -0.0064860400000000, 0.0056211100000000, -0.0055243700000000 ] - [ -0.0064458200000000, 0.0056187600000000, -0.0055221300000000 ] - [ -0.0064582100000000, 0.0055741500000000, -0.0055617800000000 ] - [ -0.0058528300000000, -0.0021894500000000, -0.0020617800000000 ] - [ -0.0054950900000000, -0.0029328300000000, -0.0023955000000000 ] - [ -0.0054283300000000, -0.0029351900000000, -0.0023742400000000 ] - [ -0.0054731300000000, -0.0029442300000000, -0.0023869100000000 ] - [ -0.0054772400000000, 0.0090469900000000, 0.0045060600000000 ] - [ -0.0000446900000000, -0.0000042900000000, 0.0000042000000000 ] - [ 0.0000715800000000, -0.0000474200000000, -0.0000374700000000 ] - [ -0.0000462000000000, -0.0000061900000000, 0.0000014100000000 ] - [ 0.0052944600000000, 0.0031291300000000, 0.0023806600000000 ] - [ 0.0053617100000000, 0.0031291500000000, 0.0023306300000000 ] - [ 0.0053399000000000, 0.0030572000000000, 0.0023988300000000 ] - [ 0.0054504000000000, 0.0030569100000000, 0.0023994000000000 ] - [ 0.0063137300000000, -0.0053827300000000, 0.0055281900000000 ] - [ 0.0064089200000000, -0.0054159700000000, 0.0055094100000000 ] - [ 0.0062894100000000, -0.0053452000000000, 0.0054350200000000 ] - [ 0.0064814500000000, -0.0054254600000000, 0.0055104400000000 ] - [ -0.0329876200000000, -0.0002300100000000, 0.0051437300000000 ] - [ -0.0329655100000000, -0.0000136500000000, 0.0053074600000000 ] - [ -0.0330161900000000, -0.0000969900000000, 0.0051634900000000 ] - [ -0.0329764400000000, -0.0000085600000000, 0.0053115100000000 ] - [ -0.0053261000000000, 0.0033141000000000, -0.0024982700000000 ] - [ -0.0054949400000000, 0.0029735700000000, -0.0023819700000000 ] - [ -0.0053101900000000, 0.0032500700000000, -0.0024345700000000 ] - [ -0.0054875700000000, 0.0029746100000000, -0.0023899200000000 ] - [ 0.0063576800000000, 0.0052770500000000, 0.0055217200000000 ] - [ 0.0063604900000000, 0.0053763000000000, 0.0054816000000000 ] - [ 0.0061411000000000, 0.0052797000000000, 0.0047086100000000 ] - [ 0.0063913200000000, 0.0053873500000000, 0.0055091500000000 ] - [ -0.0048197800000000, -0.0038485900000000, -0.0063287500000000 ] - [ -0.0064740300000000, -0.0055216800000000, -0.0055502100000000 ] - [ -0.0062272000000000, -0.0052430900000000, -0.0053933000000000 ] - [ -0.0064666600000000, -0.0055263800000000, -0.0055503600000000 ] - [ 0.0054330900000000, -0.0030611400000000, 0.0024059300000000 ] - [ 0.0050607500000000, -0.0030606900000000, 0.0024598900000000 ] - [ 0.0053639600000000, -0.0030559700000000, 0.0023932700000000 ] - [ 0.0054231100000000, -0.0030555500000000, 0.0024203000000000 ] - [ 0.0336445900000000, 0.0009842600000000, -0.0043766200000000 ] - [ 0.0329307600000000, -0.0000011800000000, -0.0053277800000000 ] - [ 0.0330277100000000, 0.0000489100000000, -0.0053119100000000 ] - [ 0.0329259700000000, 0.0000002000000000, -0.0053323400000000 ] - [ -0.0052775100000000, 0.0045085500000000, -0.0063506600000000 ] - [ -0.0064875000000000, 0.0055211200000000, -0.0055469600000000 ] - [ -0.0061565200000000, 0.0052049600000000, -0.0053735200000000 ] - [ -0.0064639600000000, 0.0055234700000000, -0.0055524500000000 ] - [ -0.0080417100000000, -0.0028641400000000, -0.0043804900000000 ] - [ -0.0054807600000000, -0.0029648000000000, -0.0023922200000000 ] - [ -0.0053836500000000, -0.0031853100000000, -0.0023196600000000 ] - [ -0.0054595100000000, -0.0030054500000000, -0.0023852200000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0094423000000000, -0.0062156400000000, -0.0061211000000000 ] - [ 0.0086052700000000, -0.0021555900000000, -0.0034801800000000 ] - [ 0.0092887500000000, -0.0037737500000000, -0.0027347000000000 ] - [ 0.0085899000000000, -0.0021593600000000, -0.0034915400000000 ] - [ 0.0966600400000000, 0.0006236600000000, 0.0514927200000000 ] - [ 0.0968619800000000, 0.0000058700000000, 0.0525600800000000 ] - [ 0.0966076300000000, 0.0006673100000000, 0.0529712000000000 ] - [ 0.0968699700000000, 0.0000124500000000, 0.0525650700000000 ] - [ -0.0039686400000000, -0.0074476800000000, 0.0048045400000000 ] - [ -0.0089125600000000, -0.0023660100000000, 0.0034588600000000 ] - [ -0.0085909900000000, -0.0025229600000000, 0.0034403300000000 ] - [ -0.0088684800000000, -0.0023045400000000, 0.0034312600000000 ] - [ 0.0092365900000000, 0.0032122600000000, -0.0026804600000000 ] - [ 0.0086095900000000, 0.0021456500000000, -0.0034793700000000 ] - [ 0.0088321700000000, 0.0029153700000000, -0.0039621200000000 ] - [ 0.0086121800000000, 0.0021468000000000, -0.0034735500000000 ] - [ -0.0966159800000000, 0.0003258100000000, -0.0525702900000000 ] - [ -0.0971985200000000, 0.0000005600000000, -0.0527029100000000 ] - [ -0.0969966800000000, 0.0000417200000000, -0.0525217200000000 ] - [ -0.0969835900000000, 0.0000520400000000, -0.0525334600000000 ] - [ -0.0092367900000000, 0.0031237500000000, 0.0027487900000000 ] - [ -0.0088401600000000, 0.0023302900000000, 0.0034766400000000 ] - [ -0.0089091100000000, 0.0023804600000000, 0.0035724000000000 ] - [ -0.0088313700000000, 0.0022707000000000, 0.0034427000000000 ] - [ 0.0084971200000000, -0.0018064900000000, -0.0033794900000000 ] - [ 0.0087113600000000, -0.0018750800000000, -0.0035093600000000 ] - [ 0.0086383700000000, -0.0019481300000000, -0.0034978500000000 ] - [ 0.0086827700000000, -0.0017262500000000, -0.0032168500000000 ] - [ 0.0962044000000000, -0.0007294000000000, 0.0535336400000000 ] - [ 0.0969510600000000, -0.0000305600000000, 0.0525821400000000 ] - [ 0.0970624900000000, 0.0001180100000000, 0.0522567500000000 ] - [ 0.0969411300000000, -0.0000532500000000, 0.0525629600000000 ] - [ -0.0089519000000000, -0.0004025400000000, 0.0040166200000000 ] - [ -0.0089178500000000, -0.0021615500000000, 0.0034324600000000 ] - [ -0.0084556400000000, -0.0016665400000000, 0.0034344200000000 ] - [ -0.0089012300000000, -0.0021781400000000, 0.0034302900000000 ] - [ 0.0087578900000000, 0.0020249100000000, -0.0035102900000000 ] - [ 0.0081830600000000, 0.0021909400000000, -0.0036748800000000 ] - [ 0.0089208800000000, 0.0016613200000000, -0.0032583700000000 ] - [ 0.0085866800000000, 0.0019815200000000, -0.0033796300000000 ] - [ -0.0978716300000000, -0.0109569400000000, -0.0504292000000000 ] - [ -0.0970991100000000, 0.0000023700000000, -0.0525451300000000 ] - [ -0.0967553200000000, 0.0000431400000000, -0.0527306700000000 ] - [ -0.0970752100000000, -0.0000067100000000, -0.0525574100000000 ] - [ -0.0101460400000000, 0.0024044900000000, 0.0054980900000000 ] - [ -0.0088856300000000, 0.0021651200000000, 0.0034586900000000 ] - [ -0.0085931400000000, 0.0018073500000000, 0.0033879500000000 ] - [ -0.0088948700000000, 0.0021865900000000, 0.0034329100000000 ] - [ 0.0000300100000000, -0.0002562200000000, 0.0003485700000000 ] - [ 0.0001313100000000, -0.0000575500000000, -0.0000393000000000 ] - [ 0.0011291200000000, -0.0016636300000000, -0.0013753000000000 ] - [ 0.0000021800000000, -0.0000656600000000, -0.0000814100000000 ] - [ -0.0000309600000000, 0.0001166100000000, -0.0004193400000000 ] - [ 0.0001238500000000, 0.0000210500000000, -0.0000177200000000 ] - [ 0.0012814500000000, -0.0012090800000000, 0.0031263500000000 ] - [ 0.0001381800000000, 0.0000292400000000, -0.0000406400000000 ] - [ 0.0001621400000000, -0.0001900000000000, 0.0001286600000000 ] - [ 0.0000193400000000, -0.0000124300000000, -0.0000068600000000 ] - [ 0.0000055100000000, -0.0000442500000000, -0.0000177900000000 ] - [ 0.0000367800000000, -0.0000040600000000, -0.0000122300000000 ] - [ -0.0045496900000000, 0.0375338200000000, 0.0011033700000000 ] - [ 0.0054905700000000, 0.0029701400000000, 0.0023885100000000 ] - [ 0.0053646500000000, 0.0030875300000000, 0.0024503100000000 ] - [ 0.0054843600000000, 0.0029708600000000, 0.0023893900000000 ] - [ 0.0063758600000000, -0.0052015600000000, 0.0056950600000000 ] - [ 0.0064606700000000, -0.0055247200000000, 0.0055495900000000 ] - [ 0.0068367600000000, -0.0061051400000000, 0.0028555100000000 ] - [ 0.0064642200000000, -0.0055215600000000, 0.0055483800000000 ] - [ -0.0315372900000000, -0.0035280800000000, 0.0053726200000000 ] - [ -0.0329439800000000, -0.0000056300000000, 0.0053279000000000 ] - [ -0.0330272100000000, -0.0000096800000000, 0.0052542000000000 ] - [ -0.0329439500000000, -0.0000036900000000, 0.0053289400000000 ] - [ -0.0060965000000000, 0.0048204200000000, -0.0021568200000000 ] - [ -0.0053378500000000, 0.0030482700000000, -0.0023855800000000 ] - [ -0.0055331300000000, 0.0033020400000000, -0.0023809800000000 ] - [ -0.0053341500000000, 0.0030523300000000, -0.0023988200000000 ] - [ 0.0062487600000000, 0.0051750800000000, 0.0054865100000000 ] - [ 0.0064592800000000, 0.0055210400000000, 0.0055515900000000 ] - [ 0.0062847500000000, 0.0050440800000000, 0.0054124900000000 ] - [ 0.0064644800000000, 0.0055228400000000, 0.0055548500000000 ] - [ -0.0072169100000000, -0.0053054200000000, -0.0060704100000000 ] - [ -0.0063191000000000, -0.0054042500000000, -0.0055224400000000 ] - [ -0.0064195300000000, -0.0054265700000000, -0.0054988700000000 ] - [ -0.0063119900000000, -0.0054219900000000, -0.0054458200000000 ] - [ 0.0052464000000000, -0.0038829500000000, 0.0021166600000000 ] - [ 0.0054815000000000, -0.0029707300000000, 0.0023891600000000 ] - [ 0.0053430000000000, -0.0032248700000000, 0.0024571800000000 ] - [ 0.0054803300000000, -0.0029664700000000, 0.0023913800000000 ] - [ 0.0328561600000000, -0.0001018500000000, -0.0052652200000000 ] - [ 0.0330782600000000, -0.0000582900000000, -0.0052935700000000 ] - [ 0.0329439800000000, -0.0000282600000000, -0.0053355800000000 ] - [ 0.0330268100000000, -0.0000381800000000, -0.0053171600000000 ] - [ -0.0063823900000000, 0.0052485900000000, -0.0054660900000000 ] - [ -0.0063279900000000, 0.0053698800000000, -0.0055439700000000 ] - [ -0.0063672800000000, 0.0053716200000000, -0.0055456800000000 ] - [ -0.0063559700000000, 0.0054168500000000, -0.0055065400000000 ] - [ -0.0049909100000000, -0.0037838700000000, -0.0027255600000000 ] - [ -0.0053555900000000, -0.0030339800000000, -0.0023888400000000 ] - [ -0.0054201000000000, -0.0030311700000000, -0.0024098300000000 ] - [ -0.0053773900000000, -0.0030222500000000, -0.0023968700000000 ] - [ 0.0055977700000000, -0.0092336700000000, -0.0045999300000000 ] - [ 0.0000442800000000, 0.0000046600000000, -0.0000023000000000 ] - [ -0.0000711000000000, 0.0000476600000000, 0.0000356700000000 ] - [ 0.0000455500000000, 0.0000066200000000, -0.0000030000000000 ] - [ 0.0055544500000000, 0.0028389900000000, 0.0024029600000000 ] - [ 0.0054860400000000, 0.0028388700000000, 0.0024523500000000 ] - [ 0.0055099800000000, 0.0029106400000000, 0.0023849300000000 ] - [ 0.0053991200000000, 0.0029105400000000, 0.0023847900000000 ] - [ 0.0064999800000000, -0.0056072500000000, 0.0055412200000000 ] - [ 0.0064043500000000, -0.0055739500000000, 0.0055582400000000 ] - [ 0.0065238200000000, -0.0056444600000000, 0.0056334100000000 ] - [ 0.0063305700000000, -0.0055639400000000, 0.0055573200000000 ] - [ -0.0329814200000000, 0.0002389200000000, 0.0055120300000000 ] - [ -0.0330013700000000, 0.0000140700000000, 0.0053427600000000 ] - [ -0.0329501200000000, 0.0000986300000000, 0.0054843400000000 ] - [ -0.0329901400000000, 0.0000087000000000, 0.0053381300000000 ] - [ -0.0055238200000000, 0.0026550000000000, -0.0022857600000000 ] - [ -0.0053554900000000, 0.0029938600000000, -0.0024003800000000 ] - [ -0.0055393400000000, 0.0027177000000000, -0.0023473300000000 ] - [ -0.0053624500000000, 0.0029927100000000, -0.0023919100000000 ] - [ 0.0064545800000000, 0.0057161100000000, 0.0055503200000000 ] - [ 0.0064527600000000, 0.0056141800000000, 0.0055873400000000 ] - [ 0.0066643200000000, 0.0057079600000000, 0.0063541800000000 ] - [ 0.0064225600000000, 0.0056029000000000, 0.0055596900000000 ] - [ -0.0080141600000000, -0.0071620400000000, -0.0047226600000000 ] - [ -0.0063398000000000, -0.0054689200000000, -0.0055191500000000 ] - [ -0.0065859700000000, -0.0057470100000000, -0.0056760300000000 ] - [ -0.0063471000000000, -0.0054642700000000, -0.0055191700000000 ] - [ 0.0054133100000000, -0.0029079900000000, 0.0023758000000000 ] - [ 0.0057866600000000, -0.0029074200000000, 0.0023225400000000 ] - [ 0.0054855000000000, -0.0029116500000000, 0.0023894800000000 ] - [ 0.0054270600000000, -0.0029114100000000, 0.0023627000000000 ] - [ 0.0323142000000000, -0.0009863900000000, -0.0062809800000000 ] - [ 0.0330349100000000, 0.0000014900000000, -0.0053218000000000 ] - [ 0.0329392600000000, -0.0000490700000000, -0.0053377000000000 ] - [ 0.0330402800000000, 0.0000003500000000, -0.0053175200000000 ] - [ -0.0075271300000000, 0.0064901100000000, -0.0047330000000000 ] - [ -0.0063268200000000, 0.0054701800000000, -0.0055212800000000 ] - [ -0.0066570500000000, 0.0057858600000000, -0.0056916500000000 ] - [ -0.0063501500000000, 0.0054680400000000, -0.0055159700000000 ] - [ -0.0028056400000000, -0.0031199700000000, -0.0004024700000000 ] - [ -0.0053702900000000, -0.0030022100000000, -0.0023911300000000 ] - [ -0.0054654200000000, -0.0027833300000000, -0.0024640700000000 ] - [ -0.0053904700000000, -0.0029614100000000, -0.0023978900000000 ]- atom: 61 displacement: [ -0.0007525109693321, 0.0000000000000000, 0.0099716461650539 ] forces: - [ 0.0108809500000000, -0.0031501900000000, 0.0030140500000000 ] - [ 0.0088053600000000, -0.0022066000000000, -0.0034280300000000 ] - [ 0.0086739800000000, -0.0016066600000000, -0.0039460700000000 ] - [ 0.0087694200000000, -0.0021750300000000, -0.0034687800000000 ] - [ 0.0968409700000000, 0.0005656000000000, 0.0527397700000000 ] - [ 0.0970349300000000, 0.0000094700000000, 0.0526058700000000 ] - [ 0.0975166500000000, -0.0005478200000000, 0.0521976000000000 ] - [ 0.0969461300000000, -0.0000128700000000, 0.0525222100000000 ] - [ -0.0067960800000000, -0.0024417300000000, 0.0088902700000000 ] - [ -0.0086552400000000, -0.0021414100000000, 0.0035658300000000 ] - [ -0.0086250900000000, -0.0021981700000000, 0.0030960800000000 ] - [ -0.0087916200000000, -0.0021838700000000, 0.0033763400000000 ] - [ 0.0086025400000000, 0.0015235900000000, -0.0037111900000000 ] - [ 0.0087924300000000, 0.0022003900000000, -0.0034382100000000 ] - [ 0.0084870600000000, 0.0022084700000000, -0.0041113000000000 ] - [ 0.0087803800000000, 0.0021777400000000, -0.0034593700000000 ] - [ -0.0971052600000000, -0.0001098800000000, -0.0522353300000000 ] - [ -0.0969014300000000, 0.0000306200000000, -0.0523641500000000 ] - [ -0.0969008300000000, 0.0000773800000000, -0.0527535300000000 ] - [ -0.0969886900000000, 0.0000292600000000, -0.0526723300000000 ] - [ -0.0088743300000000, 0.0020724700000000, 0.0036700600000000 ] - [ -0.0086901900000000, 0.0021368000000000, 0.0035179700000000 ] - [ -0.0084791600000000, 0.0021375400000000, 0.0033463900000000 ] - [ -0.0087664000000000, 0.0021679900000000, 0.0034156000000000 ] - [ 0.0089330900000000, -0.0022105300000000, -0.0034545700000000 ] - [ 0.0086875700000000, -0.0022472500000000, -0.0034497600000000 ] - [ 0.0086966200000000, -0.0021563000000000, -0.0034863700000000 ] - [ 0.0088606200000000, -0.0022599800000000, -0.0036251500000000 ] - [ 0.0979082200000000, -0.0010766300000000, 0.0519337300000000 ] - [ 0.0968923900000000, -0.0000292100000000, 0.0526225800000000 ] - [ 0.0970100900000000, 0.0007095900000000, 0.0521409600000000 ] - [ 0.0970613900000000, 0.0000488400000000, 0.0524592500000000 ] - [ -0.0087042200000000, -0.0020051700000000, 0.0036960300000000 ] - [ -0.0087478200000000, -0.0021384900000000, 0.0034733400000000 ] - [ -0.0088687800000000, -0.0023364100000000, 0.0032746900000000 ] - [ -0.0087171000000000, -0.0021556000000000, 0.0034119700000000 ] - [ 0.0094546200000000, 0.0028185400000000, -0.0036830600000000 ] - [ 0.0081082600000000, 0.0024922000000000, -0.0035720000000000 ] - [ 0.0084137000000000, 0.0019704200000000, -0.0037119200000000 ] - [ 0.0089334200000000, 0.0020455500000000, -0.0035326300000000 ] - [ -0.0964853400000000, -0.0015529100000000, -0.0476473400000000 ] - [ -0.0969464700000000, 0.0000107300000000, -0.0525236600000000 ] - [ -0.0975560600000000, 0.0002191900000000, -0.0528050200000000 ] - [ -0.0969366600000000, -0.0000125000000000, -0.0526013500000000 ] - [ -0.0085321800000000, 0.0011329200000000, 0.0046862000000000 ] - [ -0.0086852500000000, 0.0021374400000000, 0.0035215900000000 ] - [ -0.0089750400000000, 0.0024252500000000, 0.0029680200000000 ] - [ -0.0086995200000000, 0.0021829200000000, 0.0034038000000000 ] - [ 0.0001546100000000, -0.0002483100000000, 0.0001710300000000 ] - [ -0.0001954900000000, -0.0001762200000000, 0.0002003500000000 ] - [ -0.0006899000000000, 0.0007518900000000, 0.0004717500000000 ] - [ 0.0001178800000000, 0.0000765800000000, -0.0000638400000000 ] - [ -0.0016954100000000, 0.0025933900000000, 0.0018071200000000 ] - [ 0.0000003900000000, 0.0000157000000000, 0.0000113200000000 ] - [ 0.0009099900000000, -0.0042873400000000, 0.0022992900000000 ] - [ -0.0000692400000000, -0.0000193200000000, -0.0000037800000000 ] - [ 0.0000264100000000, -0.0000099500000000, -0.0001376700000000 ] - [ -0.0000227100000000, -0.0000407100000000, -0.0000412800000000 ] - [ -0.0000408500000000, 0.0000257100000000, 0.0000770600000000 ] - [ 0.0000002100000000, 0.0000091000000000, 0.0000417700000000 ] - [ 0.0079048000000000, 0.0035391600000000, -0.0297237700000000 ] - [ 0.0054061000000000, 0.0029926600000000, 0.0023717000000000 ] - [ 0.0053821500000000, 0.0029209700000000, 0.0023773100000000 ] - [ 0.0054116400000000, 0.0029917600000000, 0.0024146200000000 ] - [ 0.0066711100000000, -0.0061403900000000, 0.0059322700000000 ] - [ 0.0063909600000000, -0.0054830200000000, 0.0055322400000000 ] - [ 0.0055090600000000, -0.0034932900000000, 0.0092626400000000 ] - [ 0.0063906100000000, -0.0054802000000000, 0.0055220500000000 ] - [ -0.0327794400000000, -0.0000481600000000, 0.0049864900000000 ] - [ -0.0330010200000000, -0.0000032400000000, 0.0053016500000000 ] - [ -0.0329678000000000, -0.0000191200000000, 0.0054513300000000 ] - [ -0.0329879500000000, -0.0000025400000000, 0.0053409100000000 ] - [ -0.0113502600000000, 0.0032502600000000, -0.0003783900000000 ] - [ -0.0054233100000000, 0.0029835200000000, -0.0024212800000000 ] - [ -0.0053105900000000, 0.0030040300000000, -0.0020676800000000 ] - [ -0.0054675400000000, 0.0029698400000000, -0.0023604100000000 ] - [ 0.0064506900000000, 0.0055586200000000, 0.0056253000000000 ] - [ 0.0063913000000000, 0.0054774200000000, 0.0055351600000000 ] - [ 0.0064021800000000, 0.0055610500000000, 0.0055321700000000 ] - [ 0.0063925100000000, 0.0054856400000000, 0.0055293800000000 ] - [ -0.0058161000000000, -0.0051357200000000, -0.0052161900000000 ] - [ -0.0064343100000000, -0.0055058500000000, -0.0055601800000000 ] - [ -0.0064533100000000, -0.0055365500000000, -0.0054577200000000 ] - [ -0.0063612200000000, -0.0055031000000000, -0.0054512400000000 ] - [ 0.0056441200000000, -0.0032446200000000, 0.0017469600000000 ] - [ 0.0054105000000000, -0.0029906700000000, 0.0023778300000000 ] - [ 0.0054637600000000, -0.0029124200000000, 0.0025679400000000 ] - [ 0.0054126400000000, -0.0029887400000000, 0.0024058300000000 ] - [ 0.0329055500000000, -0.0000862100000000, -0.0053748300000000 ] - [ 0.0329900600000000, -0.0000246300000000, -0.0054035000000000 ] - [ 0.0330255700000000, 0.0000503000000000, -0.0052623800000000 ] - [ 0.0329615700000000, 0.0000164300000000, -0.0052810600000000 ] - [ -0.0063640700000000, 0.0055486400000000, -0.0055484900000000 ] - [ -0.0064400700000000, 0.0055218400000000, -0.0055397800000000 ] - [ -0.0064280500000000, 0.0055125900000000, -0.0054945200000000 ] - [ -0.0064084400000000, 0.0055026700000000, -0.0055315700000000 ] - [ -0.0056765600000000, -0.0026198900000000, -0.0024226600000000 ] - [ -0.0054254200000000, -0.0029822700000000, -0.0024108700000000 ] - [ -0.0054478800000000, -0.0029662600000000, -0.0025065900000000 ] - [ -0.0054511700000000, -0.0029754400000000, -0.0023689000000000 ] - [ -0.0021314500000000, 0.0042573400000000, 0.0003558900000000 ] - [ -0.0000105800000000, -0.0000008800000000, -0.0000194000000000 ] - [ -0.0000337300000000, -0.0001199100000000, 0.0001058300000000 ] - [ -0.0000116900000000, 0.0000002600000000, 0.0000220000000000 ] - [ 0.0054787800000000, 0.0029272300000000, 0.0023380400000000 ] - [ 0.0054232000000000, 0.0029823400000000, 0.0023345900000000 ] - [ 0.0053909000000000, 0.0029894600000000, 0.0024293100000000 ] - [ 0.0054281600000000, 0.0029972500000000, 0.0024322600000000 ] - [ 0.0063640600000000, -0.0054238100000000, 0.0056643100000000 ] - [ 0.0064375200000000, -0.0054820000000000, 0.0055457200000000 ] - [ 0.0063544000000000, -0.0055082800000000, 0.0054487000000000 ] - [ 0.0063397300000000, -0.0054827900000000, 0.0055263900000000 ] - [ -0.0330707400000000, -0.0004239900000000, 0.0047467600000000 ] - [ -0.0329899900000000, -0.0000063500000000, 0.0052870500000000 ] - [ -0.0329944100000000, 0.0001118500000000, 0.0054159900000000 ] - [ -0.0329753400000000, 0.0000039200000000, 0.0053452100000000 ] - [ -0.0053562500000000, 0.0030970400000000, -0.0024899500000000 ] - [ -0.0054470600000000, 0.0029697300000000, -0.0024110700000000 ] - [ -0.0054250000000000, 0.0030362600000000, -0.0023198800000000 ] - [ -0.0054272900000000, 0.0029780400000000, -0.0023763300000000 ] - [ 0.0061941900000000, 0.0055463400000000, 0.0058092100000000 ] - [ 0.0065013400000000, 0.0055293500000000, 0.0055660100000000 ] - [ 0.0065202100000000, 0.0054951000000000, 0.0058414400000000 ] - [ 0.0062400200000000, 0.0054828500000000, 0.0055186200000000 ] - [ -0.0069577200000000, -0.0058995100000000, -0.0053531200000000 ] - [ -0.0064117900000000, -0.0055052000000000, -0.0055376600000000 ] - [ -0.0063366800000000, -0.0053739100000000, -0.0054760100000000 ] - [ -0.0064274500000000, -0.0055061600000000, -0.0055384200000000 ] - [ 0.0053375500000000, -0.0030804100000000, 0.0022563900000000 ] - [ 0.0053274400000000, -0.0029981900000000, 0.0022552100000000 ] - [ 0.0053711600000000, -0.0030129800000000, 0.0024764600000000 ] - [ 0.0054333700000000, -0.0029902600000000, 0.0024811300000000 ] - [ 0.0335865200000000, 0.0013883200000000, -0.0053220300000000 ] - [ 0.0329650100000000, 0.0000035400000000, -0.0053371000000000 ] - [ 0.0330403500000000, -0.0000007600000000, -0.0051489000000000 ] - [ 0.0329862300000000, -0.0000025400000000, -0.0053138200000000 ] - [ -0.0092593300000000, 0.0040583800000000, -0.0023612000000000 ] - [ -0.0063906400000000, 0.0055042600000000, -0.0055423300000000 ] - [ -0.0060520400000000, 0.0055676800000000, -0.0048428400000000 ] - [ -0.0064475900000000, 0.0055116900000000, -0.0055365300000000 ] - [ -0.0008087300000000, -0.0047614900000000, -0.0000406400000000 ] - [ -0.0054826500000000, -0.0029805500000000, -0.0024162900000000 ] - [ -0.0055634000000000, -0.0029146600000000, -0.0021990000000000 ] - [ -0.0053889100000000, -0.0029748600000000, -0.0023539400000000 ]- atom: 61 displacement: [ 0.0007525109693321, 0.0000000000000000, -0.0099716461650539 ] forces: - [ 0.0066257500000000, -0.0013356500000000, -0.0105149900000000 ] - [ 0.0087039900000000, -0.0021366600000000, -0.0034798100000000 ] - [ 0.0088456900000000, -0.0027414700000000, -0.0029576800000000 ] - [ 0.0087404300000000, -0.0021704000000000, -0.0034401900000000 ] - [ 0.0970868900000000, -0.0005695200000000, 0.0523714300000000 ] - [ 0.0968922400000000, -0.0000093800000000, 0.0525127600000000 ] - [ 0.0964163300000000, 0.0005495200000000, 0.0529303900000000 ] - [ 0.0969823300000000, 0.0000131100000000, 0.0525973700000000 ] - [ -0.0106575000000000, -0.0019145200000000, -0.0019616700000000 ] - [ -0.0088552800000000, -0.0022046400000000, 0.0033427600000000 ] - [ -0.0088846700000000, -0.0021449100000000, 0.0038144300000000 ] - [ -0.0087174900000000, -0.0021599500000000, 0.0035324200000000 ] - [ 0.0089058200000000, 0.0028180600000000, -0.0031978700000000 ] - [ 0.0087170400000000, 0.0021431200000000, -0.0034696400000000 ] - [ 0.0090241900000000, 0.0021415200000000, -0.0028012600000000 ] - [ 0.0087295600000000, 0.0021675300000000, -0.0034494900000000 ] - [ -0.0968207800000000, 0.0001119800000000, -0.0528844200000000 ] - [ -0.0970293100000000, -0.0000306100000000, -0.0527570200000000 ] - [ -0.0970284400000000, -0.0000784000000000, -0.0523642000000000 ] - [ -0.0969370500000000, -0.0000292700000000, -0.0524433200000000 ] - [ -0.0086351800000000, 0.0022726100000000, 0.0032352400000000 ] - [ -0.0088210300000000, 0.0022100900000000, 0.0033901600000000 ] - [ -0.0090360800000000, 0.0022113000000000, 0.0035638800000000 ] - [ -0.0087433000000000, 0.0021759300000000, 0.0034927800000000 ] - [ 0.0085761900000000, -0.0021314500000000, -0.0034532400000000 ] - [ 0.0088220800000000, -0.0020948800000000, -0.0034572200000000 ] - [ 0.0088134200000000, -0.0021874800000000, -0.0034212200000000 ] - [ 0.0086478700000000, -0.0020809000000000, -0.0032796400000000 ] - [ 0.0960209800000000, 0.0010841300000000, 0.0531860400000000 ] - [ 0.0970361200000000, 0.0000295800000000, 0.0524969300000000 ] - [ 0.0969217500000000, -0.0007074100000000, 0.0529853700000000 ] - [ 0.0968671400000000, -0.0000488800000000, 0.0526602900000000 ] - [ -0.0088054000000000, -0.0023330900000000, 0.0032112600000000 ] - [ -0.0087626300000000, -0.0022051200000000, 0.0034347700000000 ] - [ -0.0086391300000000, -0.0020051800000000, 0.0036335100000000 ] - [ -0.0087926900000000, -0.0021869100000000, 0.0034960900000000 ] - [ 0.0080507700000000, 0.0015186400000000, -0.0032245100000000 ] - [ 0.0094034000000000, 0.0018482200000000, -0.0033341100000000 ] - [ 0.0090971200000000, 0.0023746100000000, -0.0031930900000000 ] - [ 0.0085746000000000, 0.0022958000000000, -0.0033726600000000 ] - [ -0.0974718900000000, 0.0014608000000000, -0.0574543400000000 ] - [ -0.0969825300000000, -0.0000106700000000, -0.0525954200000000 ] - [ -0.0963686800000000, -0.0002196000000000, -0.0523128400000000 ] - [ -0.0969920600000000, 0.0000127300000000, -0.0525173500000000 ] - [ -0.0090160600000000, 0.0032422000000000, 0.0022378100000000 ] - [ -0.0088244900000000, 0.0022065100000000, 0.0033867600000000 ] - [ -0.0085311800000000, 0.0019119500000000, 0.0039443100000000 ] - [ -0.0088102600000000, 0.0021591600000000, 0.0035041200000000 ] - [ -0.0001566900000000, 0.0002506100000000, -0.0001709600000000 ] - [ 0.0001971400000000, 0.0001774600000000, -0.0002007200000000 ] - [ 0.0006965700000000, -0.0007646500000000, -0.0004854400000000 ] - [ -0.0001189800000000, -0.0000774600000000, 0.0000633700000000 ] - [ 0.0017227300000000, -0.0026265600000000, -0.0018234300000000 ] - [ -0.0000008100000000, -0.0000161600000000, -0.0000118500000000 ] - [ -0.0009064800000000, 0.0042581000000000, -0.0022959200000000 ] - [ 0.0000696200000000, 0.0000192600000000, 0.0000036200000000 ] - [ -0.0000270500000000, 0.0000098500000000, 0.0001385400000000 ] - [ 0.0000225700000000, 0.0000405800000000, 0.0000437200000000 ] - [ 0.0000407200000000, -0.0000253000000000, -0.0000766900000000 ] - [ 0.0000000600000000, -0.0000093200000000, -0.0000437000000000 ] - [ 0.0030167000000000, 0.0026643400000000, 0.0349893500000000 ] - [ 0.0054441500000000, 0.0029751300000000, 0.0024111700000000 ] - [ 0.0054681900000000, 0.0030450900000000, 0.0024040800000000 ] - [ 0.0054381100000000, 0.0029763900000000, 0.0023685600000000 ] - [ 0.0061377500000000, -0.0048394800000000, 0.0051332400000000 ] - [ 0.0064222500000000, -0.0055076000000000, 0.0055370000000000 ] - [ 0.0072769100000000, -0.0074330200000000, 0.0018847000000000 ] - [ 0.0064224100000000, -0.0055104900000000, 0.0055468100000000 ] - [ -0.0331795700000000, 0.0000371100000000, 0.0056649800000000 ] - [ -0.0329633500000000, 0.0000030800000000, 0.0053435800000000 ] - [ -0.0329971200000000, 0.0000198200000000, 0.0051929400000000 ] - [ -0.0329764400000000, 0.0000025100000000, 0.0053048300000000 ] - [ 0.0005760900000000, 0.0027149100000000, -0.0044379600000000 ] - [ -0.0054277200000000, 0.0029842500000000, -0.0023600000000000 ] - [ -0.0055397600000000, 0.0029653400000000, -0.0027126000000000 ] - [ -0.0053828000000000, 0.0029981900000000, -0.0024207300000000 ] - [ 0.0063618700000000, 0.0054319600000000, 0.0054446100000000 ] - [ 0.0064216800000000, 0.0055131500000000, 0.0055354500000000 ] - [ 0.0064098900000000, 0.0054284000000000, 0.0055377100000000 ] - [ 0.0064205000000000, 0.0055049300000000, 0.0055406600000000 ] - [ -0.0069964400000000, -0.0058582400000000, -0.0058545800000000 ] - [ -0.0063782900000000, -0.0054836800000000, -0.0055099300000000 ] - [ -0.0063589100000000, -0.0054528500000000, -0.0056130100000000 ] - [ -0.0064521200000000, -0.0054869200000000, -0.0056194000000000 ] - [ 0.0052040900000000, -0.0027251900000000, 0.0030303800000000 ] - [ 0.0054399800000000, -0.0029770700000000, 0.0024036300000000 ] - [ 0.0053866800000000, -0.0030566100000000, 0.0022132400000000 ] - [ 0.0054376900000000, -0.0029790900000000, 0.0023761700000000 ] - [ 0.0330585700000000, 0.0000865600000000, -0.0052696300000000 ] - [ 0.0329742700000000, 0.0000250600000000, -0.0052405200000000 ] - [ 0.0329387800000000, -0.0000502300000000, -0.0053830400000000 ] - [ 0.0330020600000000, -0.0000166000000000, -0.0053663900000000 ] - [ -0.0064489300000000, 0.0054410900000000, -0.0055201700000000 ] - [ -0.0063724200000000, 0.0054676400000000, -0.0055294500000000 ] - [ -0.0063848400000000, 0.0054776400000000, -0.0055740700000000 ] - [ -0.0064045900000000, 0.0054877200000000, -0.0055371600000000 ] - [ -0.0051751000000000, -0.0033458700000000, -0.0023592300000000 ] - [ -0.0054251800000000, -0.0029856600000000, -0.0023718000000000 ] - [ -0.0054025200000000, -0.0030016400000000, -0.0022765700000000 ] - [ -0.0053990900000000, -0.0029924400000000, -0.0024132800000000 ] - [ 0.0021306400000000, -0.0042562900000000, -0.0003283000000000 ] - [ 0.0000107200000000, 0.0000008800000000, 0.0000218200000000 ] - [ 0.0000330300000000, 0.0001193400000000, -0.0001091300000000 ] - [ 0.0000113000000000, -0.0000001600000000, -0.0000239100000000 ] - [ 0.0053722300000000, 0.0030390600000000, 0.0024441500000000 ] - [ 0.0054273200000000, 0.0029850600000000, 0.0024489000000000 ] - [ 0.0054598000000000, 0.0029782200000000, 0.0023529000000000 ] - [ 0.0054216900000000, 0.0029703400000000, 0.0023501200000000 ] - [ 0.0064491500000000, -0.0055672900000000, 0.0054049000000000 ] - [ 0.0063753100000000, -0.0055091000000000, 0.0055231800000000 ] - [ 0.0064581600000000, -0.0054824700000000, 0.0056195600000000 ] - [ 0.0064734200000000, -0.0055084200000000, 0.0055424100000000 ] - [ -0.0328933500000000, 0.0004234600000000, 0.0058982400000000 ] - [ -0.0329743100000000, 0.0000062200000000, 0.0053597000000000 ] - [ -0.0329701000000000, -0.0001113800000000, 0.0052296900000000 ] - [ -0.0329891900000000, -0.0000042800000000, 0.0053017000000000 ] - [ -0.0054947000000000, 0.0028700200000000, -0.0022897200000000 ] - [ -0.0054031000000000, 0.0029981800000000, -0.0023696600000000 ] - [ -0.0054252100000000, 0.0029318800000000, -0.0024617100000000 ] - [ -0.0054231400000000, 0.0029894900000000, -0.0024040200000000 ] - [ 0.0066207100000000, 0.0054429800000000, 0.0052601100000000 ] - [ 0.0063107000000000, 0.0054611100000000, 0.0055043100000000 ] - [ 0.0062882900000000, 0.0054964200000000, 0.0052137100000000 ] - [ 0.0065719800000000, 0.0055082700000000, 0.0055517400000000 ] - [ -0.0058533200000000, -0.0050858900000000, -0.0057214500000000 ] - [ -0.0064011200000000, -0.0054855100000000, -0.0055319300000000 ] - [ -0.0064767500000000, -0.0056185200000000, -0.0055938900000000 ] - [ -0.0063853700000000, -0.0054844100000000, -0.0055319400000000 ] - [ 0.0055098300000000, -0.0028884700000000, 0.0025254700000000 ] - [ 0.0055237000000000, -0.0029695800000000, 0.0025259900000000 ] - [ 0.0054800700000000, -0.0029545800000000, 0.0023042600000000 ] - [ 0.0054163700000000, -0.0029769300000000, 0.0022993700000000 ] - [ 0.0323698800000000, -0.0013994900000000, -0.0053194100000000 ] - [ 0.0329989000000000, -0.0000035500000000, -0.0053093300000000 ] - [ 0.0329242200000000, 0.0000015100000000, -0.0054973800000000 ] - [ 0.0329777700000000, 0.0000028300000000, -0.0053320000000000 ] - [ -0.0036164300000000, 0.0069064000000000, -0.0086753300000000 ] - [ -0.0064225500000000, 0.0054865500000000, -0.0055260800000000 ] - [ -0.0067727400000000, 0.0054235600000000, -0.0062388600000000 ] - [ -0.0063651800000000, 0.0054791100000000, -0.0055325900000000 ] - [ -0.0101029700000000, -0.0011881400000000, -0.0047660600000000 ] - [ -0.0053675200000000, -0.0029874700000000, -0.0023653100000000 ] - [ -0.0052879100000000, -0.0030523500000000, -0.0025840100000000 ] - [ -0.0054617300000000, -0.0029927800000000, -0.0024279900000000 ]- atom: 65 displacement: [ 0.0099998730498564, 0.0000000000000000, 0.0000503883593317 ] forces: - [ 0.0114297500000000, 0.0025939700000000, -0.0053596900000000 ] - [ 0.0084351000000000, -0.0020547300000000, -0.0034986800000000 ] - [ 0.0091521200000000, -0.0025501000000000, -0.0032318200000000 ] - [ 0.0084725900000000, -0.0020639000000000, -0.0034959500000000 ] - [ 0.1114171300000000, -0.0112707800000000, 0.0448971400000000 ] - [ 0.0966929000000000, -0.0000282000000000, 0.0525627500000000 ] - [ 0.0973471500000000, 0.0001285900000000, 0.0525470700000000 ] - [ 0.0967883900000000, -0.0000087300000000, 0.0525927900000000 ] - [ -0.0086227300000000, -0.0021339900000000, 0.0030241300000000 ] - [ -0.0089861000000000, -0.0023450000000000, 0.0034698200000000 ] - [ -0.0090704100000000, -0.0012958200000000, 0.0042231600000000 ] - [ -0.0092059200000000, -0.0024947900000000, 0.0034889600000000 ] - [ 0.0093018400000000, 0.0025744100000000, -0.0035193200000000 ] - [ 0.0084755200000000, 0.0020490700000000, -0.0034925100000000 ] - [ 0.0090887200000000, 0.0025570300000000, -0.0034177800000000 ] - [ 0.0085151800000000, 0.0020517200000000, -0.0034856400000000 ] - [ -0.0970476400000000, -0.0000469500000000, -0.0528039500000000 ] - [ -0.0972515500000000, 0.0000744900000000, -0.0524953200000000 ] - [ -0.0973766800000000, -0.0007129600000000, -0.0520224800000000 ] - [ -0.0975218700000000, 0.0003156000000000, -0.0527893900000000 ] - [ -0.0086704100000000, 0.0023642900000000, 0.0033987700000000 ] - [ -0.0089385900000000, 0.0023029500000000, 0.0034549900000000 ] - [ -0.0086831200000000, 0.0022554700000000, 0.0035875800000000 ] - [ -0.0089865900000000, 0.0022604800000000, 0.0034123100000000 ] - [ 0.0085043800000000, -0.0022977100000000, -0.0034668500000000 ] - [ 0.0079790800000000, -0.0016750300000000, -0.0035343500000000 ] - [ 0.0087080900000000, -0.0021939000000000, -0.0034409600000000 ] - [ 0.0086639800000000, -0.0017724100000000, -0.0034767300000000 ] - [ 0.0967673800000000, 0.0005144500000000, 0.0525485300000000 ] - [ 0.0968010200000000, -0.0000666800000000, 0.0526336200000000 ] - [ 0.0969837300000000, 0.0000238100000000, 0.0526185700000000 ] - [ 0.0968732100000000, -0.0000389100000000, 0.0525267400000000 ] - [ -0.0083918800000000, -0.0017779200000000, 0.0036958000000000 ] - [ -0.0089890700000000, -0.0023411100000000, 0.0034041100000000 ] - [ -0.0080125900000000, -0.0017685000000000, 0.0035903000000000 ] - [ -0.0090518800000000, -0.0023179400000000, 0.0034216300000000 ] - [ 0.0077767200000000, 0.0020745000000000, -0.0040974700000000 ] - [ 0.0081289800000000, 0.0021516900000000, -0.0036596200000000 ] - [ 0.0086848900000000, 0.0021437700000000, -0.0033965400000000 ] - [ 0.0086501400000000, 0.0020044400000000, -0.0036878300000000 ] - [ -0.0966896300000000, 0.0000769600000000, -0.0527534300000000 ] - [ -0.0971419900000000, 0.0000007600000000, -0.0525473000000000 ] - [ -0.0958444400000000, -0.0001539100000000, -0.0527685200000000 ] - [ -0.0971768400000000, 0.0000054400000000, -0.0525364900000000 ] - [ -0.0082238400000000, 0.0018918600000000, 0.0038456700000000 ] - [ -0.0090305500000000, 0.0023151500000000, 0.0033885500000000 ] - [ 0.0033212800000000, 0.0022094600000000, 0.0124382300000000 ] - [ -0.0090971600000000, 0.0022814400000000, 0.0034197000000000 ] - [ 0.0034400200000000, -0.0027663300000000, 0.0003161800000000 ] - [ 0.0005769500000000, 0.0002772900000000, -0.0000429000000000 ] - [ -0.0001352900000000, -0.0001544000000000, -0.0000116300000000 ] - [ 0.0001828800000000, 0.0000343400000000, 0.0000307200000000 ] - [ -0.0001515500000000, -0.0014514400000000, -0.0004547600000000 ] - [ 0.0003278400000000, 0.0000850800000000, -0.0000918100000000 ] - [ -0.0002333100000000, -0.0001195400000000, 0.0001404200000000 ] - [ 0.0002377100000000, 0.0000268200000000, -0.0000385400000000 ] - [ 0.0004133700000000, 0.0002142200000000, -0.0005438700000000 ] - [ 0.0001348400000000, 0.0000370900000000, 0.0000599600000000 ] - [ 0.0000393700000000, -0.0004126200000000, 0.0001917500000000 ] - [ 0.0001023400000000, 0.0000007400000000, -0.0000483100000000 ] - [ 0.0050550800000000, 0.0030138400000000, 0.0026323300000000 ] - [ 0.0055514100000000, 0.0029292800000000, 0.0023850100000000 ] - [ 0.0047729000000000, 0.0025626800000000, 0.0014757300000000 ] - [ 0.0055755500000000, 0.0029254700000000, 0.0023868800000000 ] - [ -0.0355722500000000, 0.0015714700000000, 0.0097031400000000 ] - [ 0.0065354300000000, -0.0055871300000000, 0.0055754400000000 ] - [ 0.0062190100000000, -0.0052832700000000, 0.0054684400000000 ] - [ 0.0065140600000000, -0.0055823200000000, 0.0055760900000000 ] - [ -0.0332938300000000, 0.0000560500000000, 0.0052158000000000 ] - [ -0.0328880500000000, -0.0000006800000000, 0.0053493500000000 ] - [ -0.0338337300000000, -0.0003663300000000, 0.0053898200000000 ] - [ -0.0328950200000000, 0.0000048600000000, 0.0053298700000000 ] - [ -0.0046606100000000, 0.0021601700000000, -0.0017348200000000 ] - [ -0.0052610700000000, 0.0030716600000000, -0.0024067100000000 ] - [ -0.0054839000000000, 0.0029705400000000, -0.0024423100000000 ] - [ -0.0052534700000000, 0.0030789900000000, -0.0023317400000000 ] - [ 0.0057020400000000, 0.0054828800000000, 0.0056822500000000 ] - [ 0.0065130000000000, 0.0055846100000000, 0.0055667800000000 ] - [ 0.0062354400000000, 0.0052800600000000, 0.0054558100000000 ] - [ 0.0065088900000000, 0.0055821100000000, 0.0055720400000000 ] - [ -0.0064233600000000, -0.0054680100000000, -0.0055042100000000 ] - [ -0.0062958600000000, -0.0053913200000000, -0.0054970100000000 ] - [ 0.0009255600000000, -0.0052222700000000, -0.0072624500000000 ] - [ -0.0062892400000000, -0.0054255400000000, -0.0054939400000000 ] - [ 0.0052210600000000, -0.0031420200000000, 0.0024202300000000 ] - [ 0.0055429100000000, -0.0029305800000000, 0.0023841700000000 ] - [ 0.0052406800000000, -0.0031067500000000, 0.0023726300000000 ] - [ 0.0055524900000000, -0.0029251000000000, 0.0023864300000000 ] - [ 0.0332052400000000, 0.0001317800000000, -0.0052373000000000 ] - [ 0.0330972300000000, -0.0000465000000000, -0.0053461500000000 ] - [ 0.0329714900000000, 0.0000191300000000, -0.0053475700000000 ] - [ 0.0330735600000000, 0.0000060400000000, -0.0052745700000000 ] - [ -0.0064355500000000, 0.0054855800000000, -0.0055205600000000 ] - [ -0.0062909200000000, 0.0053571800000000, -0.0054984700000000 ] - [ -0.0064266600000000, 0.0055716200000000, -0.0055325700000000 ] - [ -0.0063085300000000, 0.0053958100000000, -0.0055146100000000 ] - [ -0.0054831800000000, -0.0030074400000000, -0.0023531800000000 ] - [ -0.0052638000000000, -0.0030625500000000, -0.0024130500000000 ] - [ -0.0054878400000000, -0.0030226400000000, -0.0024175700000000 ] - [ -0.0053263800000000, -0.0030350500000000, -0.0023855800000000 ] - [ -0.0000323600000000, -0.0001918300000000, 0.0001982300000000 ] - [ 0.0000955700000000, 0.0000034900000000, -0.0000120100000000 ] - [ -0.0000771300000000, -0.0000647300000000, 0.0000118300000000 ] - [ 0.0000940800000000, 0.0000143000000000, 0.0000056000000000 ] - [ 0.0054823900000000, 0.0029857900000000, 0.0024265400000000 ] - [ 0.0054790300000000, 0.0028898200000000, 0.0023531700000000 ] - [ 0.0055150500000000, 0.0030597100000000, 0.0023303400000000 ] - [ 0.0054412600000000, 0.0028658700000000, 0.0023402600000000 ] - [ 0.0064618600000000, -0.0055457300000000, 0.0054939300000000 ] - [ 0.0064617000000000, -0.0055991900000000, 0.0055956200000000 ] - [ 0.0064315500000000, -0.0055250100000000, 0.0055488400000000 ] - [ 0.0064318600000000, -0.0055804500000000, 0.0055632700000000 ] - [ -0.0329493200000000, -0.0000739200000000, 0.0054128700000000 ] - [ -0.0329594900000000, 0.0000103800000000, 0.0053331200000000 ] - [ -0.0329607400000000, -0.0000311400000000, 0.0052814300000000 ] - [ -0.0329224100000000, 0.0000485900000000, 0.0053609300000000 ] - [ -0.0054294000000000, 0.0013977900000000, -0.0029394700000000 ] - [ -0.0053043800000000, 0.0030508200000000, -0.0023867300000000 ] - [ -0.0055897000000000, 0.0028032000000000, -0.0023319500000000 ] - [ -0.0053295900000000, 0.0030433800000000, -0.0024040900000000 ] - [ 0.0065142600000000, 0.0053682400000000, 0.0055775600000000 ] - [ 0.0065144900000000, 0.0056392500000000, 0.0055888200000000 ] - [ 0.0064433500000000, 0.0055081600000000, 0.0055631600000000 ] - [ 0.0064437700000000, 0.0055938800000000, 0.0055697300000000 ] - [ -0.0065520500000000, -0.0057021100000000, -0.0056057000000000 ] - [ -0.0063189200000000, -0.0054113200000000, -0.0054984600000000 ] - [ -0.0066668800000000, -0.0056446500000000, -0.0056197600000000 ] - [ -0.0063016500000000, -0.0054042800000000, -0.0054952200000000 ] - [ 0.0055407800000000, -0.0029370500000000, 0.0024951600000000 ] - [ 0.0056504700000000, -0.0029343300000000, 0.0021944300000000 ] - [ 0.0056539300000000, -0.0029679200000000, 0.0022399900000000 ] - [ 0.0068185000000000, -0.0027185700000000, 0.0026126600000000 ] - [ 0.0320552100000000, -0.0007577900000000, -0.0049656700000000 ] - [ 0.0330604000000000, -0.0000015200000000, -0.0053076300000000 ] - [ 0.0328600300000000, -0.0000352000000000, -0.0054381800000000 ] - [ 0.0330504300000000, 0.0000012600000000, -0.0053061100000000 ] - [ -0.0066069300000000, 0.0057344100000000, -0.0055942500000000 ] - [ -0.0063129100000000, 0.0054093800000000, -0.0054933100000000 ] - [ -0.0054520200000000, 0.0097905200000000, -0.0049144000000000 ] - [ -0.0062831900000000, 0.0053972300000000, -0.0054906600000000 ] - [ -0.0028609700000000, -0.0018703000000000, -0.0049885700000000 ] - [ -0.0052302400000000, -0.0030640600000000, -0.0023603900000000 ] - [ -0.0057799800000000, -0.0027332900000000, -0.0020552900000000 ] - [ -0.0053023900000000, -0.0030405400000000, -0.0024230500000000 ]- atom: 65 displacement: [ -0.0099998730498564, 0.0000000000000000, -0.0000503883593317 ] forces: - [ 0.0061448600000000, -0.0068472700000000, -0.0016095200000000 ] - [ 0.0090731500000000, -0.0022885000000000, -0.0034107100000000 ] - [ 0.0083568700000000, -0.0017939600000000, -0.0036774100000000 ] - [ 0.0090358300000000, -0.0022806900000000, -0.0034139700000000 ] - [ 0.0823119900000000, 0.0116164000000000, 0.0604633200000000 ] - [ 0.0972325800000000, 0.0000277600000000, 0.0525539100000000 ] - [ 0.0965804000000000, -0.0001313300000000, 0.0525704800000000 ] - [ 0.0971386300000000, 0.0000085500000000, 0.0525244000000000 ] - [ -0.0088842500000000, -0.0022088800000000, 0.0038826800000000 ] - [ -0.0085241800000000, -0.0020010900000000, 0.0034396200000000 ] - [ -0.0084409100000000, -0.0030409700000000, 0.0026939900000000 ] - [ -0.0083030700000000, -0.0018486800000000, 0.0034186500000000 ] - [ 0.0082063200000000, 0.0017709400000000, -0.0033878700000000 ] - [ 0.0090332500000000, 0.0022945100000000, -0.0034169100000000 ] - [ 0.0084221200000000, 0.0017889400000000, -0.0034919500000000 ] - [ 0.0089932200000000, 0.0022929600000000, -0.0034242600000000 ] - [ -0.0968801100000000, 0.0000462500000000, -0.0523144500000000 ] - [ -0.0966774700000000, -0.0000745300000000, -0.0526219900000000 ] - [ -0.0965524400000000, 0.0007032400000000, -0.0530887500000000 ] - [ -0.0963980400000000, -0.0003188700000000, -0.0523254500000000 ] - [ -0.0088374700000000, 0.0019794700000000, 0.0035118100000000 ] - [ -0.0085717300000000, 0.0020431300000000, 0.0034541200000000 ] - [ -0.0088246500000000, 0.0020875200000000, 0.0033222100000000 ] - [ -0.0085240300000000, 0.0020846900000000, 0.0034968800000000 ] - [ 0.0090047400000000, -0.0020476600000000, -0.0034421100000000 ] - [ 0.0095386500000000, -0.0026716400000000, -0.0033738500000000 ] - [ 0.0088026700000000, -0.0021529100000000, -0.0034689500000000 ] - [ 0.0088446300000000, -0.0025711400000000, -0.0034320000000000 ] - [ 0.0971646000000000, -0.0005108300000000, 0.0525693800000000 ] - [ 0.0971247700000000, 0.0000660600000000, 0.0524844700000000 ] - [ 0.0969441800000000, -0.0000234100000000, 0.0524997900000000 ] - [ 0.0970540300000000, 0.0000390100000000, 0.0525909700000000 ] - [ -0.0091158500000000, -0.0025632200000000, 0.0032100200000000 ] - [ -0.0085211600000000, -0.0020049300000000, 0.0035059600000000 ] - [ -0.0094957200000000, -0.0025702900000000, 0.0033182500000000 ] - [ -0.0084586100000000, -0.0020262700000000, 0.0034872800000000 ] - [ 0.0097267700000000, 0.0022682700000000, -0.0028205100000000 ] - [ 0.0093733200000000, 0.0021906700000000, -0.0032436800000000 ] - [ 0.0088256000000000, 0.0022019800000000, -0.0035128300000000 ] - [ 0.0088595000000000, 0.0023361300000000, -0.0032175200000000 ] - [ -0.0972373600000000, -0.0000772700000000, -0.0523642800000000 ] - [ -0.0967866800000000, -0.0000006200000000, -0.0525704600000000 ] - [ -0.0980822000000000, 0.0001507800000000, -0.0523545700000000 ] - [ -0.0967511600000000, -0.0000052000000000, -0.0525804700000000 ] - [ -0.0092869100000000, 0.0024523500000000, 0.0030644100000000 ] - [ -0.0084804200000000, 0.0020304800000000, 0.0035212500000000 ] - [ -0.0211861000000000, 0.0021168500000000, -0.0059726700000000 ] - [ -0.0084136700000000, 0.0020618000000000, 0.0034891300000000 ] - [ -0.0034872800000000, 0.0028002000000000, -0.0003176700000000 ] - [ -0.0005721700000000, -0.0002737600000000, 0.0000436200000000 ] - [ 0.0001351300000000, 0.0001550900000000, 0.0000111700000000 ] - [ -0.0001820400000000, -0.0000341100000000, -0.0000306300000000 ] - [ 0.0001441000000000, 0.0014470700000000, 0.0004630800000000 ] - [ -0.0003268500000000, -0.0000856300000000, 0.0000915500000000 ] - [ 0.0002317900000000, 0.0001185900000000, -0.0001411300000000 ] - [ -0.0002365000000000, -0.0000270200000000, 0.0000382800000000 ] - [ -0.0004104600000000, -0.0002173000000000, 0.0005425300000000 ] - [ -0.0001339900000000, -0.0000365400000000, -0.0000574500000000 ] - [ -0.0000408400000000, 0.0004162600000000, -0.0001934200000000 ] - [ -0.0001018400000000, -0.0000010100000000, 0.0000460400000000 ] - [ 0.0057936100000000, 0.0029530300000000, 0.0021502500000000 ] - [ 0.0052989400000000, 0.0030379800000000, 0.0023988900000000 ] - [ 0.0060808300000000, 0.0034011700000000, 0.0033108100000000 ] - [ 0.0052743900000000, 0.0030417400000000, 0.0023975600000000 ] - [ 0.0487285700000000, -0.0129525400000000, 0.0016115200000000 ] - [ 0.0062786600000000, -0.0054034200000000, 0.0054928400000000 ] - [ 0.0065942100000000, -0.0057065800000000, 0.0055997500000000 ] - [ 0.0062998500000000, -0.0054082800000000, 0.0054919000000000 ] - [ -0.0326705500000000, -0.0000580000000000, 0.0054343300000000 ] - [ -0.0330763400000000, 0.0000004500000000, 0.0052973000000000 ] - [ -0.0321258800000000, 0.0003653600000000, 0.0052608500000000 ] - [ -0.0330692400000000, -0.0000049300000000, 0.0053175200000000 ] - [ -0.0061819500000000, 0.0037935500000000, -0.0030375400000000 ] - [ -0.0055884600000000, 0.0028958300000000, -0.0023763800000000 ] - [ -0.0053660300000000, 0.0029962500000000, -0.0023406000000000 ] - [ -0.0055966100000000, 0.0028883200000000, -0.0024510100000000 ] - [ 0.0071113700000000, 0.0055015500000000, 0.0053853900000000 ] - [ 0.0063007200000000, 0.0054057700000000, 0.0055028500000000 ] - [ 0.0065773400000000, 0.0057096300000000, 0.0056137100000000 ] - [ 0.0063048500000000, 0.0054083200000000, 0.0054969700000000 ] - [ -0.0063899300000000, -0.0055227500000000, -0.0055651400000000 ] - [ -0.0065169700000000, -0.0055979900000000, -0.0055724800000000 ] - [ -0.0135270000000000, -0.0057627400000000, -0.0038594000000000 ] - [ -0.0065226100000000, -0.0055632500000000, -0.0055744700000000 ] - [ 0.0056290200000000, -0.0028250500000000, 0.0023621000000000 ] - [ 0.0053074100000000, -0.0030368400000000, 0.0023984000000000 ] - [ 0.0056087800000000, -0.0028610700000000, 0.0024091700000000 ] - [ 0.0052980900000000, -0.0030420800000000, 0.0023967300000000 ] - [ 0.0327604700000000, -0.0001310700000000, -0.0054094400000000 ] - [ 0.0328679300000000, 0.0000462300000000, -0.0053002400000000 ] - [ 0.0329930700000000, -0.0000188300000000, -0.0052993600000000 ] - [ 0.0328902700000000, -0.0000060700000000, -0.0053740700000000 ] - [ -0.0063779500000000, 0.0055052500000000, -0.0055473900000000 ] - [ -0.0065220200000000, 0.0056321700000000, -0.0055696200000000 ] - [ -0.0063876100000000, 0.0054193700000000, -0.0055356200000000 ] - [ -0.0065046600000000, 0.0055937900000000, -0.0055538600000000 ] - [ -0.0053673600000000, -0.0029591900000000, -0.0024303700000000 ] - [ -0.0055862900000000, -0.0029047800000000, -0.0023708400000000 ] - [ -0.0053622500000000, -0.0029446500000000, -0.0023662800000000 ] - [ -0.0055228300000000, -0.0029327800000000, -0.0023978800000000 ] - [ 0.0000278000000000, 0.0001969000000000, -0.0001983600000000 ] - [ -0.0000947800000000, -0.0000035100000000, 0.0000141600000000 ] - [ 0.0000761500000000, 0.0000642400000000, -0.0000151500000000 ] - [ -0.0000943100000000, -0.0000143700000000, -0.0000074900000000 ] - [ 0.0053674000000000, 0.0029817900000000, 0.0023569200000000 ] - [ 0.0053707000000000, 0.0030767500000000, 0.0024307900000000 ] - [ 0.0053353000000000, 0.0029096400000000, 0.0024524200000000 ] - [ 0.0054089400000000, 0.0031013700000000, 0.0024443800000000 ] - [ 0.0063511300000000, -0.0054440000000000, 0.0055745300000000 ] - [ 0.0063520500000000, -0.0053915000000000, 0.0054724100000000 ] - [ 0.0063816800000000, -0.0054650100000000, 0.0055187400000000 ] - [ 0.0063819600000000, -0.0054104000000000, 0.0055048400000000 ] - [ -0.0330164000000000, 0.0000734000000000, 0.0052339800000000 ] - [ -0.0330051800000000, -0.0000102400000000, 0.0053154600000000 ] - [ -0.0330041400000000, 0.0000309300000000, 0.0053653700000000 ] - [ -0.0330418700000000, -0.0000491400000000, 0.0052879900000000 ] - [ -0.0054220800000000, 0.0045842400000000, -0.0018346600000000 ] - [ -0.0055453700000000, 0.0029168500000000, -0.0023954800000000 ] - [ -0.0052589700000000, 0.0031638700000000, -0.0024496700000000 ] - [ -0.0055204200000000, 0.0029241200000000, -0.0023776400000000 ] - [ 0.0062993000000000, 0.0056198400000000, 0.0054932300000000 ] - [ 0.0062995900000000, 0.0053509900000000, 0.0054810300000000 ] - [ 0.0063694100000000, 0.0054814700000000, 0.0055055000000000 ] - [ 0.0063697300000000, 0.0053964000000000, 0.0054994800000000 ] - [ -0.0062612100000000, -0.0052883000000000, -0.0054634500000000 ] - [ -0.0064942700000000, -0.0055788400000000, -0.0055706000000000 ] - [ -0.0061467600000000, -0.0053460400000000, -0.0054501600000000 ] - [ -0.0065112400000000, -0.0055855800000000, -0.0055745900000000 ] - [ 0.0053092600000000, -0.0030301900000000, 0.0022877400000000 ] - [ 0.0052002000000000, -0.0030319800000000, 0.0025871600000000 ] - [ 0.0051979200000000, -0.0030001100000000, 0.0025400800000000 ] - [ 0.0040245400000000, -0.0032504900000000, 0.0021676500000000 ] - [ 0.0339085400000000, 0.0007577700000000, -0.0056795800000000 ] - [ 0.0329039300000000, 0.0000014000000000, -0.0053406900000000 ] - [ 0.0331048300000000, 0.0000349200000000, -0.0052088800000000 ] - [ 0.0329146200000000, -0.0000012700000000, -0.0053415900000000 ] - [ -0.0062061100000000, 0.0052556000000000, -0.0054740400000000 ] - [ -0.0065003500000000, 0.0055807000000000, -0.0055746600000000 ] - [ -0.0073636600000000, 0.0011707400000000, -0.0061594000000000 ] - [ -0.0065296100000000, 0.0055925800000000, -0.0055779100000000 ] - [ -0.0080188800000000, -0.0041122700000000, 0.0002474200000000 ] - [ -0.0056186900000000, -0.0029037400000000, -0.0024228800000000 ] - [ -0.0050669100000000, -0.0032358800000000, -0.0027328400000000 ] - [ -0.0055471600000000, -0.0029269600000000, -0.0023601800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0088398600000000, 0.0164815600000000, -0.0131814400000000 ] - [ 0.0089858000000000, -0.0022229500000000, -0.0034113500000000 ] - [ 0.0083936400000000, -0.0016415700000000, -0.0038400200000000 ] - [ 0.0089680800000000, -0.0022229300000000, -0.0034279900000000 ] - [ 0.0878278700000000, 0.0112768300000000, 0.0596708500000000 ] - [ 0.0971361700000000, 0.0000132900000000, 0.0525593900000000 ] - [ 0.0969935400000000, 0.0000722800000000, 0.0530504600000000 ] - [ 0.0971271400000000, 0.0000075100000000, 0.0525445400000000 ] - [ -0.0085937400000000, -0.0018260000000000, 0.0037846700000000 ] - [ -0.0086290900000000, -0.0020019200000000, 0.0034753700000000 ] - [ -0.0081366700000000, -0.0020559000000000, 0.0031126400000000 ] - [ -0.0086651300000000, -0.0019489900000000, 0.0033905200000000 ] - [ 0.0081769200000000, 0.0001121400000000, -0.0040661300000000 ] - [ 0.0089892000000000, 0.0022098800000000, -0.0034092500000000 ] - [ 0.0083408100000000, 0.0014566300000000, -0.0033923800000000 ] - [ 0.0089657100000000, 0.0022147600000000, -0.0034256400000000 ] - [ -0.0969615500000000, 0.0000351700000000, -0.0526354600000000 ] - [ -0.0965856300000000, 0.0000690500000000, -0.0527448200000000 ] - [ -0.0970048300000000, 0.0001502800000000, -0.0526087800000000 ] - [ -0.0965854800000000, -0.0000990600000000, -0.0524656800000000 ] - [ -0.0085792200000000, 0.0014950100000000, 0.0036446700000000 ] - [ -0.0085787200000000, 0.0019359200000000, 0.0034499900000000 ] - [ -0.0086527100000000, 0.0015019500000000, 0.0033486800000000 ] - [ -0.0085721900000000, 0.0019311500000000, 0.0034986500000000 ] - [ 0.0087996600000000, -0.0024355300000000, -0.0034744000000000 ] - [ 0.0094331300000000, -0.0026129400000000, -0.0031638700000000 ] - [ 0.0088751000000000, -0.0023225100000000, -0.0034324000000000 ] - [ 0.0088472800000000, -0.0026092000000000, -0.0035436400000000 ] - [ 0.0975983100000000, -0.0003307500000000, 0.0525229900000000 ] - [ 0.0969397300000000, -0.0001070700000000, 0.0525768400000000 ] - [ 0.0969688900000000, -0.0000520600000000, 0.0524610900000000 ] - [ 0.0970072600000000, -0.0000144700000000, 0.0525104200000000 ] - [ -0.0091706800000000, -0.0028985500000000, 0.0031175800000000 ] - [ -0.0085445600000000, -0.0021169800000000, 0.0034839100000000 ] - [ -0.0087548800000000, -0.0032135500000000, 0.0036398900000000 ] - [ -0.0085391500000000, -0.0021135800000000, 0.0034889100000000 ] - [ 0.0090859600000000, 0.0025947500000000, -0.0034492200000000 ] - [ 0.0086434300000000, 0.0030647600000000, -0.0035055300000000 ] - [ 0.0089122700000000, 0.0023607900000000, -0.0034529600000000 ] - [ 0.0087615100000000, 0.0026813400000000, -0.0035530100000000 ] - [ -0.0971907400000000, -0.0001371700000000, -0.0519127600000000 ] - [ -0.0967973100000000, -0.0000057800000000, -0.0525687400000000 ] - [ -0.0968260500000000, -0.0012091500000000, -0.0532333200000000 ] - [ -0.0968047800000000, -0.0000116200000000, -0.0525703400000000 ] - [ -0.0093290400000000, 0.0032589800000000, 0.0036599200000000 ] - [ -0.0085145300000000, 0.0021391600000000, 0.0034947800000000 ] - [ -0.0071085900000000, 0.0078888600000000, 0.0059530900000000 ] - [ -0.0085209200000000, 0.0021320900000000, 0.0034876700000000 ] - [ -0.0041151000000000, 0.0004146800000000, -0.0019023500000000 ] - [ -0.0002168500000000, -0.0001025000000000, 0.0000616200000000 ] - [ 0.0000465900000000, -0.0001335600000000, -0.0000427300000000 ] - [ -0.0001710600000000, -0.0000274000000000, 0.0000388600000000 ] - [ -0.0013634800000000, 0.0028505600000000, 0.0014134300000000 ] - [ -0.0001711700000000, 0.0000361600000000, 0.0000398800000000 ] - [ 0.0001137200000000, 0.0001676800000000, -0.0002706800000000 ] - [ -0.0001865900000000, 0.0000212900000000, 0.0000470400000000 ] - [ -0.0015411400000000, -0.0003323900000000, 0.0013073000000000 ] - [ -0.0000382000000000, -0.0000133000000000, 0.0000166900000000 ] - [ 0.0001287100000000, -0.0001822600000000, 0.0000123200000000 ] - [ -0.0000714800000000, -0.0000055700000000, 0.0000131700000000 ] - [ 0.0056863100000000, 0.0026908400000000, 0.0017610700000000 ] - [ 0.0053299900000000, 0.0030139500000000, 0.0023963800000000 ] - [ 0.0055219800000000, 0.0035985600000000, 0.0043667400000000 ] - [ 0.0053392400000000, 0.0030107700000000, 0.0023999900000000 ] - [ 0.0138971000000000, -0.0544230100000000, 0.0059173000000000 ] - [ 0.0063160200000000, -0.0054472100000000, 0.0055019000000000 ] - [ 0.0066179800000000, -0.0058402600000000, 0.0056471700000000 ] - [ 0.0063208900000000, -0.0054434500000000, 0.0055052600000000 ] - [ -0.0329441400000000, -0.0000946300000000, 0.0057301200000000 ] - [ -0.0330467600000000, -0.0000030000000000, 0.0053165700000000 ] - [ -0.0335667700000000, 0.0010539900000000, 0.0034401300000000 ] - [ -0.0330518400000000, -0.0000043000000000, 0.0053165400000000 ] - [ -0.0065246000000000, 0.0027955900000000, -0.0028344700000000 ] - [ -0.0055523100000000, 0.0028932800000000, -0.0023890300000000 ] - [ -0.0054525200000000, 0.0029157300000000, -0.0023492000000000 ] - [ -0.0055313500000000, 0.0029112400000000, -0.0023899800000000 ] - [ 0.0064143800000000, 0.0097979700000000, 0.0054143000000000 ] - [ 0.0063183800000000, 0.0054441400000000, 0.0055069500000000 ] - [ 0.0066211900000000, 0.0058044400000000, 0.0056500400000000 ] - [ 0.0063209400000000, 0.0054413500000000, 0.0055096600000000 ] - [ -0.0064343600000000, -0.0056208700000000, -0.0055766000000000 ] - [ -0.0065103700000000, -0.0056935300000000, -0.0055847500000000 ] - [ -0.0066906100000000, -0.0063616900000000, -0.0055067300000000 ] - [ -0.0064758900000000, -0.0056105700000000, -0.0055408600000000 ] - [ 0.0056614900000000, -0.0026639700000000, 0.0023448400000000 ] - [ 0.0053221200000000, -0.0030100400000000, 0.0024006400000000 ] - [ 0.0056522700000000, -0.0025331400000000, 0.0023405700000000 ] - [ 0.0053302600000000, -0.0030117600000000, 0.0023931300000000 ] - [ 0.0331124100000000, -0.0000418100000000, -0.0053392100000000 ] - [ 0.0328320800000000, -0.0000240300000000, -0.0053433800000000 ] - [ 0.0330035400000000, -0.0000102800000000, -0.0053448200000000 ] - [ 0.0329307700000000, -0.0000217900000000, -0.0054248100000000 ] - [ -0.0064169600000000, 0.0056174700000000, -0.0055684700000000 ] - [ -0.0065446500000000, 0.0057032800000000, -0.0055924100000000 ] - [ -0.0063312000000000, 0.0056189300000000, -0.0055732000000000 ] - [ -0.0065064200000000, 0.0056083100000000, -0.0055830400000000 ] - [ -0.0054075100000000, -0.0027379800000000, -0.0023357700000000 ] - [ -0.0056089600000000, -0.0028585400000000, -0.0023777600000000 ] - [ -0.0053872600000000, -0.0028608800000000, -0.0023703200000000 ] - [ -0.0055288800000000, -0.0029054800000000, -0.0023912900000000 ] - [ -0.0007354900000000, 0.0012194400000000, -0.0007741500000000 ] - [ -0.0000700900000000, 0.0000065300000000, 0.0000063700000000 ] - [ -0.0000580900000000, 0.0001053700000000, -0.0000121300000000 ] - [ -0.0000546500000000, 0.0000038600000000, 0.0000111800000000 ] - [ 0.0053266500000000, 0.0030624100000000, 0.0023970700000000 ] - [ 0.0053579200000000, 0.0030959100000000, 0.0024584700000000 ] - [ 0.0053295800000000, 0.0030530000000000, 0.0023966000000000 ] - [ 0.0053159300000000, 0.0031326800000000, 0.0023699100000000 ] - [ 0.0063039300000000, -0.0052882900000000, 0.0055654800000000 ] - [ 0.0063566000000000, -0.0052880300000000, 0.0054383900000000 ] - [ 0.0063230300000000, -0.0053779500000000, 0.0054764900000000 ] - [ 0.0063776700000000, -0.0053779000000000, 0.0055032900000000 ] - [ -0.0331623800000000, 0.0000326300000000, 0.0051916900000000 ] - [ -0.0329581800000000, 0.0000127000000000, 0.0052961000000000 ] - [ -0.0330270300000000, 0.0000445300000000, 0.0053326500000000 ] - [ -0.0329390700000000, 0.0000183400000000, 0.0053172800000000 ] - [ -0.0054149000000000, 0.0046381600000000, -0.0019830900000000 ] - [ -0.0055082100000000, 0.0029575800000000, -0.0023865600000000 ] - [ -0.0053284000000000, 0.0032352200000000, -0.0025054300000000 ] - [ -0.0055127000000000, 0.0029527300000000, -0.0023857800000000 ] - [ 0.0062636300000000, 0.0053229400000000, 0.0055433200000000 ] - [ 0.0065335600000000, 0.0053225700000000, 0.0054262900000000 ] - [ 0.0063092300000000, 0.0053902400000000, 0.0054741400000000 ] - [ 0.0063944400000000, 0.0053901800000000, 0.0055045000000000 ] - [ -0.0062014000000000, -0.0051603500000000, -0.0054426900000000 ] - [ -0.0064907200000000, -0.0055449000000000, -0.0055603900000000 ] - [ -0.0062594300000000, -0.0045329200000000, -0.0054819400000000 ] - [ -0.0064975600000000, -0.0055471400000000, -0.0055652900000000 ] - [ 0.0052569600000000, -0.0031023400000000, 0.0023433400000000 ] - [ 0.0055598700000000, -0.0032037100000000, 0.0023481700000000 ] - [ 0.0052882900000000, -0.0030917200000000, 0.0023928400000000 ] - [ 0.0051789700000000, -0.0031957400000000, 0.0023736000000000 ] - [ 0.0344444000000000, 0.0015658500000000, -0.0059437900000000 ] - [ 0.0329096300000000, 0.0000044300000000, -0.0053318500000000 ] - [ 0.0331007900000000, 0.0001020700000000, -0.0051313800000000 ] - [ 0.0329199200000000, 0.0000014000000000, -0.0053330200000000 ] - [ -0.0061693500000000, 0.0051966400000000, -0.0054325200000000 ] - [ -0.0064927700000000, 0.0055481900000000, -0.0055609800000000 ] - [ -0.0021539800000000, 0.0106392700000000, -0.0026643200000000 ] - [ -0.0065046900000000, 0.0055511300000000, -0.0055617600000000 ] - [ -0.0034739000000000, -0.0039715700000000, -0.0036750600000000 ] - [ -0.0055310900000000, -0.0029584000000000, -0.0023899900000000 ] - [ -0.0052104200000000, -0.0032739100000000, -0.0022998500000000 ] - [ -0.0055175600000000, -0.0029560900000000, -0.0023813200000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0087049000000000, -0.0217368700000000, 0.0068288600000000 ] - [ 0.0085221300000000, -0.0021199100000000, -0.0034995000000000 ] - [ 0.0091180600000000, -0.0027069800000000, -0.0030748700000000 ] - [ 0.0085386400000000, -0.0021204900000000, -0.0034830900000000 ] - [ 0.1057475700000000, -0.0109427700000000, 0.0457658800000000 ] - [ 0.0967957700000000, -0.0000132000000000, 0.0525596900000000 ] - [ 0.0969429000000000, -0.0000719600000000, 0.0520659600000000 ] - [ 0.0968039000000000, -0.0000076700000000, 0.0525737900000000 ] - [ -0.0089177600000000, -0.0025214000000000, 0.0031223500000000 ] - [ -0.0088792200000000, -0.0023422400000000, 0.0034345000000000 ] - [ -0.0093715700000000, -0.0022929200000000, 0.0037995600000000 ] - [ -0.0088457500000000, -0.0023974500000000, 0.0035223600000000 ] - [ 0.0093276300000000, 0.0042338100000000, -0.0028438100000000 ] - [ 0.0085190500000000, 0.0021323500000000, -0.0035015400000000 ] - [ 0.0091690900000000, 0.0028890700000000, -0.0035191700000000 ] - [ 0.0085414800000000, 0.0021279700000000, -0.0034852100000000 ] - [ -0.0969706900000000, -0.0000355200000000, -0.0524819900000000 ] - [ -0.0973459300000000, -0.0000688200000000, -0.0523794400000000 ] - [ -0.0969253300000000, -0.0001472700000000, -0.0525115300000000 ] - [ -0.0973480800000000, 0.0001020100000000, -0.0526524100000000 ] - [ -0.0089324200000000, 0.0028543200000000, 0.0032612400000000 ] - [ -0.0089292500000000, 0.0024073300000000, 0.0034597100000000 ] - [ -0.0088574300000000, 0.0028436700000000, 0.0035625300000000 ] - [ -0.0089365800000000, 0.0024117500000000, 0.0034128900000000 ] - [ 0.0087076500000000, -0.0019042500000000, -0.0034356000000000 ] - [ 0.0080779700000000, -0.0017299200000000, -0.0037441100000000 ] - [ 0.0086320500000000, -0.0020183200000000, -0.0034784600000000 ] - [ 0.0086611200000000, -0.0017304000000000, -0.0033678900000000 ] - [ 0.0963313900000000, 0.0003296200000000, 0.0526020800000000 ] - [ 0.0969930000000000, 0.0001062500000000, 0.0525421200000000 ] - [ 0.0969645100000000, 0.0000519900000000, 0.0526584600000000 ] - [ 0.0969254000000000, 0.0000136200000000, 0.0526087200000000 ] - [ -0.0083364100000000, -0.0014399600000000, 0.0037878000000000 ] - [ -0.0089644800000000, -0.0022249000000000, 0.0034261700000000 ] - [ -0.0087537000000000, -0.0011182600000000, 0.0032734400000000 ] - [ -0.0089696000000000, -0.0022283300000000, 0.0034216500000000 ] - [ 0.0084230200000000, 0.0017438600000000, -0.0034563100000000 ] - [ 0.0088620600000000, 0.0012794500000000, -0.0034027200000000 ] - [ 0.0085949200000000, 0.0019797300000000, -0.0034580200000000 ] - [ 0.0087456400000000, 0.0016603000000000, -0.0033598200000000 ] - [ -0.0967409500000000, 0.0001369600000000, -0.0532164500000000 ] - [ -0.0971363500000000, 0.0000055400000000, -0.0525502300000000 ] - [ -0.0971105300000000, 0.0012061900000000, -0.0518890000000000 ] - [ -0.0971281900000000, 0.0000115200000000, -0.0525481700000000 ] - [ -0.0081767300000000, 0.0010828500000000, 0.0032498300000000 ] - [ -0.0089946800000000, 0.0022023300000000, 0.0034152500000000 ] - [ -0.0104091100000000, -0.0035083600000000, 0.0009487400000000 ] - [ -0.0089879800000000, 0.0022092300000000, 0.0034227400000000 ] - [ 0.0040944800000000, -0.0004419900000000, 0.0018825000000000 ] - [ 0.0002164700000000, 0.0001013700000000, -0.0000623700000000 ] - [ -0.0000492200000000, 0.0001313100000000, 0.0000464700000000 ] - [ 0.0001721300000000, 0.0000270100000000, -0.0000390000000000 ] - [ 0.0013779500000000, -0.0028698400000000, -0.0014299400000000 ] - [ 0.0001716800000000, -0.0000354200000000, -0.0000413200000000 ] - [ -0.0001142200000000, -0.0001676900000000, 0.0002756800000000 ] - [ 0.0001872900000000, -0.0000212000000000, -0.0000467500000000 ] - [ 0.0015211700000000, 0.0003312900000000, -0.0012910800000000 ] - [ 0.0000381000000000, 0.0000130900000000, -0.0000163600000000 ] - [ -0.0001257100000000, 0.0001764600000000, -0.0000094500000000 ] - [ 0.0000721000000000, 0.0000052800000000, -0.0000134200000000 ] - [ 0.0051613900000000, 0.0032804700000000, 0.0030274200000000 ] - [ 0.0055200200000000, 0.0029534100000000, 0.0023870300000000 ] - [ 0.0053260900000000, 0.0023724900000000, 0.0004030100000000 ] - [ 0.0055113000000000, 0.0029564600000000, 0.0023836500000000 ] - [ -0.0006258300000000, 0.0440490300000000, 0.0043237900000000 ] - [ 0.0064988400000000, -0.0055439400000000, 0.0055656300000000 ] - [ 0.0061950300000000, -0.0051492800000000, 0.0054217200000000 ] - [ 0.0064938100000000, -0.0055475800000000, 0.0055630100000000 ] - [ -0.0330200100000000, 0.0000919900000000, 0.0049219100000000 ] - [ -0.0329187700000000, 0.0000026600000000, 0.0053322900000000 ] - [ -0.0324042100000000, -0.0010552000000000, 0.0071944600000000 ] - [ -0.0329134500000000, 0.0000039900000000, 0.0053313700000000 ] - [ -0.0043139400000000, 0.0031755800000000, -0.0019442600000000 ] - [ -0.0052981400000000, 0.0030743000000000, -0.0023931200000000 ] - [ -0.0053982500000000, 0.0030522300000000, -0.0024303700000000 ] - [ -0.0053178100000000, 0.0030567500000000, -0.0023911700000000 ] - [ 0.0063936000000000, 0.0012878400000000, 0.0056582400000000 ] - [ 0.0064962500000000, 0.0055464500000000, 0.0055619300000000 ] - [ 0.0061920600000000, 0.0051844900000000, 0.0054198300000000 ] - [ 0.0064936100000000, 0.0055490700000000, 0.0055596700000000 ] - [ -0.0063792800000000, -0.0053690500000000, -0.0054924900000000 ] - [ -0.0063034400000000, -0.0052973000000000, -0.0054842800000000 ] - [ -0.0061493500000000, -0.0046273800000000, -0.0055584400000000 ] - [ -0.0063374200000000, -0.0053789800000000, -0.0055284300000000 ] - [ 0.0051871600000000, -0.0033049800000000, 0.0024375000000000 ] - [ 0.0055278900000000, -0.0029577900000000, 0.0023814200000000 ] - [ 0.0051984100000000, -0.0034356400000000, 0.0024406500000000 ] - [ 0.0055206500000000, -0.0029557600000000, 0.0023893000000000 ] - [ 0.0328526800000000, 0.0000413200000000, -0.0053084500000000 ] - [ 0.0331322900000000, 0.0000234300000000, -0.0053049700000000 ] - [ 0.0329617200000000, 0.0000100400000000, -0.0053036500000000 ] - [ 0.0330355500000000, 0.0000215600000000, -0.0052256600000000 ] - [ -0.0063967500000000, 0.0053717400000000, -0.0054992600000000 ] - [ -0.0062694500000000, 0.0052870100000000, -0.0054756700000000 ] - [ -0.0064831900000000, 0.0053700900000000, -0.0054945400000000 ] - [ -0.0063079500000000, 0.0053811500000000, -0.0054854000000000 ] - [ -0.0054404900000000, -0.0032314500000000, -0.0024475600000000 ] - [ -0.0052416900000000, -0.0031091800000000, -0.0024054800000000 ] - [ -0.0054622500000000, -0.0031073800000000, -0.0024125200000000 ] - [ -0.0053207400000000, -0.0030624900000000, -0.0023916800000000 ] - [ 0.0007497100000000, -0.0012371700000000, 0.0007936600000000 ] - [ 0.0000704500000000, -0.0000065600000000, -0.0000054800000000 ] - [ 0.0000580900000000, -0.0001038500000000, 0.0000125500000000 ] - [ 0.0000545700000000, -0.0000038100000000, -0.0000118000000000 ] - [ 0.0055242500000000, 0.0029036100000000, 0.0023854600000000 ] - [ 0.0054915000000000, 0.0028708400000000, 0.0023252800000000 ] - [ 0.0055215200000000, 0.0029135600000000, 0.0023860800000000 ] - [ 0.0055342700000000, 0.0028329800000000, 0.0024129000000000 ] - [ 0.0065114600000000, -0.0057035200000000, 0.0055026000000000 ] - [ 0.0064570200000000, -0.0057030700000000, 0.0056287100000000 ] - [ 0.0064919000000000, -0.0056139900000000, 0.0055927000000000 ] - [ 0.0064366800000000, -0.0056138000000000, 0.0055650700000000 ] - [ -0.0328013000000000, -0.0000325200000000, 0.0054570200000000 ] - [ -0.0330078400000000, -0.0000123100000000, 0.0053541500000000 ] - [ -0.0329387200000000, -0.0000447300000000, 0.0053166700000000 ] - [ -0.0330259900000000, -0.0000183800000000, 0.0053327000000000 ] - [ -0.0054340700000000, 0.0013244600000000, -0.0028011500000000 ] - [ -0.0053421100000000, 0.0030095300000000, -0.0023946000000000 ] - [ -0.0055231200000000, 0.0027306200000000, -0.0022755600000000 ] - [ -0.0053373500000000, 0.0030142100000000, -0.0023950400000000 ] - [ 0.0065515200000000, 0.0056692900000000, 0.0055248600000000 ] - [ 0.0062804500000000, 0.0056687800000000, 0.0056424200000000 ] - [ 0.0065053900000000, 0.0056013200000000, 0.0055961600000000 ] - [ 0.0064200100000000, 0.0056011100000000, 0.0055652100000000 ] - [ -0.0066136700000000, -0.0058319500000000, -0.0056265400000000 ] - [ -0.0063230200000000, -0.0054462600000000, -0.0055088500000000 ] - [ -0.0065570200000000, -0.0064593000000000, -0.0055896000000000 ] - [ -0.0063163400000000, -0.0054434900000000, -0.0055038300000000 ] - [ 0.0055942300000000, -0.0028640400000000, 0.0024379900000000 ] - [ 0.0052910200000000, -0.0027645000000000, 0.0024322900000000 ] - [ 0.0055623700000000, -0.0028755800000000, 0.0023888700000000 ] - [ 0.0056895600000000, -0.0027673600000000, 0.0024115600000000 ] - [ 0.0315028300000000, -0.0015818800000000, -0.0046964400000000 ] - [ 0.0330551000000000, -0.0000046000000000, -0.0053178500000000 ] - [ 0.0328640700000000, -0.0001021800000000, -0.0055180200000000 ] - [ 0.0330458700000000, -0.0000014000000000, -0.0053164600000000 ] - [ -0.0066463500000000, 0.0057957000000000, -0.0056354300000000 ] - [ -0.0063211600000000, 0.0054425500000000, -0.0055071300000000 ] - [ -0.0107448800000000, 0.0002679100000000, -0.0084381300000000 ] - [ -0.0063092700000000, 0.0054392900000000, -0.0055062000000000 ] - [ -0.0073671800000000, -0.0019898700000000, -0.0011138900000000 ] - [ -0.0053193400000000, -0.0030090000000000, -0.0023927000000000 ] - [ -0.0056420200000000, -0.0026927500000000, -0.0024778400000000 ] - [ -0.0053323500000000, -0.0030113100000000, -0.0024007600000000 ]- atom: 65 displacement: [ -0.0007525109693321, 0.0000000000000000, 0.0099716461650539 ] forces: - [ 0.0084213200000000, -0.0126378000000000, 0.0061949500000000 ] - [ 0.0086803800000000, -0.0021419900000000, -0.0034471100000000 ] - [ 0.0090466100000000, -0.0027023400000000, -0.0044918500000000 ] - [ 0.0086251800000000, -0.0021684900000000, -0.0034952700000000 ] - [ 0.0876996300000000, 0.0104675400000000, 0.0650408100000000 ] - [ 0.0969082400000000, 0.0000129800000000, 0.0525712900000000 ] - [ 0.0968423000000000, 0.0000636700000000, 0.0517108100000000 ] - [ 0.0969208000000000, 0.0000009200000000, 0.0525611400000000 ] - [ -0.0089337500000000, -0.0021716300000000, 0.0031062000000000 ] - [ -0.0086836100000000, -0.0021452500000000, 0.0033579200000000 ] - [ -0.0079966900000000, -0.0025665400000000, 0.0037174100000000 ] - [ -0.0090971900000000, -0.0024464100000000, 0.0036875100000000 ] - [ 0.0087797700000000, 0.0021299200000000, -0.0032799000000000 ] - [ 0.0087017900000000, 0.0021267500000000, -0.0034354500000000 ] - [ 0.0089295500000000, 0.0023266000000000, -0.0036292200000000 ] - [ 0.0086747600000000, 0.0021470800000000, -0.0034823100000000 ] - [ -0.0970648000000000, -0.0000199400000000, -0.0526788700000000 ] - [ -0.0968265800000000, -0.0001119000000000, -0.0528730600000000 ] - [ -0.0968459300000000, 0.0001341100000000, -0.0525976000000000 ] - [ -0.0975888200000000, 0.0003576400000000, -0.0523720500000000 ] - [ -0.0088469600000000, 0.0023496500000000, 0.0032927400000000 ] - [ -0.0087400700000000, 0.0022044400000000, 0.0033838100000000 ] - [ -0.0086791500000000, 0.0022932400000000, 0.0036855200000000 ] - [ -0.0088169900000000, 0.0021504400000000, 0.0035181700000000 ] - [ 0.0086112000000000, -0.0021540300000000, -0.0033930400000000 ] - [ 0.0087793300000000, -0.0018692500000000, -0.0033024500000000 ] - [ 0.0087433200000000, -0.0021119900000000, -0.0035018300000000 ] - [ 0.0086291600000000, -0.0018770100000000, -0.0036052000000000 ] - [ 0.0965316000000000, 0.0001611400000000, 0.0526219000000000 ] - [ 0.0969919900000000, -0.0000531800000000, 0.0526215600000000 ] - [ 0.0970851800000000, -0.0000606400000000, 0.0524974800000000 ] - [ 0.0969258200000000, -0.0000378100000000, 0.0524974400000000 ] - [ -0.0084919400000000, -0.0020720300000000, 0.0030130400000000 ] - [ -0.0088328400000000, -0.0021893200000000, 0.0034214900000000 ] - [ -0.0090946500000000, -0.0016451400000000, 0.0042397800000000 ] - [ -0.0088066500000000, -0.0021913100000000, 0.0034681200000000 ] - [ 0.0085392000000000, 0.0020259900000000, -0.0031394600000000 ] - [ 0.0095116300000000, 0.0020751500000000, -0.0029474700000000 ] - [ 0.0087685300000000, 0.0021535900000000, -0.0035267200000000 ] - [ 0.0085935500000000, 0.0021195300000000, -0.0039108900000000 ] - [ -0.0968711400000000, 0.0001636300000000, -0.0528968500000000 ] - [ -0.0970124300000000, -0.0000044500000000, -0.0525580800000000 ] - [ -0.0964734600000000, -0.0007696600000000, -0.0521070600000000 ] - [ -0.0970389800000000, -0.0000045900000000, -0.0525598800000000 ] - [ -0.0084095100000000, 0.0017147500000000, 0.0023422400000000 ] - [ -0.0088533200000000, 0.0021891000000000, 0.0034213100000000 ] - [ -0.0038939500000000, 0.0023087100000000, 0.0115979600000000 ] - [ -0.0088188100000000, 0.0021960700000000, 0.0034618500000000 ] - [ 0.0003250400000000, -0.0016955900000000, -0.0032858500000000 ] - [ 0.0000297100000000, -0.0000339300000000, -0.0001137400000000 ] - [ -0.0000500700000000, 0.0000402100000000, 0.0006959200000000 ] - [ 0.0000647600000000, -0.0000055600000000, 0.0000567900000000 ] - [ 0.0006616500000000, -0.0004685600000000, -0.0016770700000000 ] - [ 0.0001110900000000, 0.0001054400000000, -0.0001224100000000 ] - [ -0.0001595200000000, 0.0000739800000000, 0.0004131000000000 ] - [ 0.0000445100000000, 0.0000049500000000, 0.0000633900000000 ] - [ -0.0004643600000000, -0.0000134200000000, 0.0000883000000000 ] - [ 0.0000573700000000, -0.0000022000000000, 0.0000068900000000 ] - [ 0.0003380400000000, -0.0005449400000000, 0.0005209300000000 ] - [ 0.0000052200000000, 0.0000042600000000, -0.0000002500000000 ] - [ 0.0053007100000000, 0.0028207100000000, 0.0027603800000000 ] - [ 0.0054470100000000, 0.0029728400000000, 0.0023913800000000 ] - [ 0.0044510300000000, 0.0056723000000000, 0.0060296200000000 ] - [ 0.0054755800000000, 0.0029744000000000, 0.0023837100000000 ] - [ 0.0141200300000000, -0.0052472500000000, -0.0310867100000000 ] - [ 0.0064392300000000, -0.0055205800000000, 0.0055361700000000 ] - [ 0.0063560700000000, -0.0053997500000000, 0.0057147900000000 ] - [ 0.0064419400000000, -0.0055183400000000, 0.0055520000000000 ] - [ -0.0331919200000000, 0.0001396100000000, 0.0057298200000000 ] - [ -0.0329575700000000, 0.0000009000000000, 0.0053299200000000 ] - [ -0.0323866300000000, -0.0024709200000000, 0.0084569600000000 ] - [ -0.0329611500000000, -0.0000024700000000, 0.0053267700000000 ] - [ -0.0046605500000000, 0.0025065000000000, -0.0020577300000000 ] - [ -0.0053998500000000, 0.0029900600000000, -0.0024117600000000 ] - [ -0.0056297300000000, 0.0030206700000000, -0.0023249400000000 ] - [ -0.0052613600000000, 0.0030654600000000, -0.0022979800000000 ] - [ 0.0066132600000000, 0.0056141600000000, 0.0049849500000000 ] - [ 0.0064318100000000, 0.0055164500000000, 0.0055414600000000 ] - [ 0.0063420400000000, 0.0053977200000000, 0.0056006200000000 ] - [ 0.0064377800000000, 0.0055145900000000, 0.0055472500000000 ] - [ -0.0063769200000000, -0.0054563200000000, -0.0054792000000000 ] - [ -0.0063794600000000, -0.0054535200000000, -0.0054285600000000 ] - [ -0.0086492100000000, -0.0055419200000000, -0.0057170700000000 ] - [ -0.0063765500000000, -0.0054948600000000, -0.0056593600000000 ] - [ 0.0054008800000000, -0.0030203500000000, 0.0024749500000000 ] - [ 0.0054463800000000, -0.0029714800000000, 0.0023928200000000 ] - [ 0.0053303100000000, -0.0030977000000000, 0.0023808800000000 ] - [ 0.0054556600000000, -0.0029685000000000, 0.0023880700000000 ] - [ 0.0331553400000000, 0.0000333200000000, -0.0053346000000000 ] - [ 0.0328929400000000, 0.0000216800000000, -0.0052924100000000 ] - [ 0.0329325700000000, -0.0000092500000000, -0.0053046000000000 ] - [ 0.0330821700000000, -0.0000199500000000, -0.0053608400000000 ] - [ -0.0063930300000000, 0.0054626000000000, -0.0054960400000000 ] - [ -0.0063816000000000, 0.0054481100000000, -0.0054673000000000 ] - [ -0.0064051900000000, 0.0054507400000000, -0.0055674100000000 ] - [ -0.0063958100000000, 0.0054549300000000, -0.0056366400000000 ] - [ -0.0053693100000000, -0.0030502700000000, -0.0024046900000000 ] - [ -0.0054331800000000, -0.0029688100000000, -0.0023946500000000 ] - [ -0.0054798800000000, -0.0029699800000000, -0.0023540000000000 ] - [ -0.0053848700000000, -0.0030080000000000, -0.0023852500000000 ] - [ 0.0002227000000000, -0.0003633500000000, 0.0000435700000000 ] - [ 0.0000104100000000, 0.0000047000000000, 0.0000015800000000 ] - [ -0.0002392800000000, 0.0002430000000000, 0.0000307200000000 ] - [ 0.0000373800000000, 0.0000156400000000, 0.0000012200000000 ] - [ 0.0054679700000000, 0.0029604700000000, 0.0024030600000000 ] - [ 0.0053322300000000, 0.0029855500000000, 0.0025169300000000 ] - [ 0.0054441800000000, 0.0029554500000000, 0.0023897000000000 ] - [ 0.0054923600000000, 0.0028943700000000, 0.0023145600000000 ] - [ 0.0064654700000000, -0.0055869600000000, 0.0055055000000000 ] - [ 0.0063639000000000, -0.0054565200000000, 0.0054979100000000 ] - [ 0.0064349800000000, -0.0055242800000000, 0.0055788300000000 ] - [ 0.0064207700000000, -0.0055471900000000, 0.0055779600000000 ] - [ -0.0328698400000000, -0.0000294700000000, 0.0054339800000000 ] - [ -0.0330218100000000, -0.0000101600000000, 0.0053344100000000 ] - [ -0.0330055500000000, 0.0000357200000000, 0.0053073200000000 ] - [ -0.0329324800000000, 0.0000635300000000, 0.0053328500000000 ] - [ -0.0058240800000000, 0.0039062700000000, -0.0021955900000000 ] - [ -0.0053857400000000, 0.0029950400000000, -0.0023901800000000 ] - [ -0.0054826700000000, 0.0028578600000000, -0.0023415700000000 ] - [ -0.0053973500000000, 0.0029962200000000, -0.0023899800000000 ] - [ 0.0064541200000000, 0.0056133800000000, 0.0054369300000000 ] - [ 0.0064426300000000, 0.0054756800000000, 0.0054363500000000 ] - [ 0.0064398900000000, 0.0055250100000000, 0.0056013100000000 ] - [ 0.0064335000000000, 0.0055491500000000, 0.0056008900000000 ] - [ -0.0064679100000000, -0.0055717400000000, -0.0055083000000000 ] - [ -0.0063787000000000, -0.0054763600000000, -0.0055193800000000 ] - [ -0.0064721100000000, -0.0055378400000000, -0.0056683000000000 ] - [ -0.0063764000000000, -0.0054718600000000, -0.0055359300000000 ] - [ 0.0055097100000000, -0.0029356800000000, 0.0024201800000000 ] - [ 0.0049836200000000, -0.0029741800000000, 0.0026482200000000 ] - [ 0.0054471500000000, -0.0029605700000000, 0.0023884500000000 ] - [ 0.0077497100000000, -0.0021885100000000, 0.0028691600000000 ] - [ 0.0324655700000000, -0.0005025100000000, -0.0051413500000000 ] - [ 0.0330070600000000, 0.0000037700000000, -0.0053212500000000 ] - [ 0.0329367700000000, 0.0001114400000000, -0.0053428400000000 ] - [ 0.0330066800000000, 0.0000031500000000, -0.0053196400000000 ] - [ -0.0064536700000000, 0.0055789000000000, -0.0053688700000000 ] - [ -0.0063746600000000, 0.0054753800000000, -0.0055127700000000 ] - [ -0.0058506700000000, 0.0080601700000000, -0.0062541900000000 ] - [ -0.0063739500000000, 0.0054754000000000, -0.0055337300000000 ] - [ -0.0095185100000000, -0.0038848400000000, 0.0006883500000000 ] - [ -0.0053899200000000, -0.0029911800000000, -0.0023980700000000 ] - [ -0.0056221000000000, -0.0028452200000000, -0.0017378000000000 ] - [ -0.0053964100000000, -0.0029989800000000, -0.0023877900000000 ]- atom: 65 displacement: [ 0.0007525109693321, 0.0000000000000000, -0.0099716461650539 ] forces: - [ 0.0090977400000000, 0.0080336600000000, -0.0130592200000000 ] - [ 0.0088287300000000, -0.0022011300000000, -0.0034627400000000 ] - [ 0.0084581100000000, -0.0016361100000000, -0.0024098000000000 ] - [ 0.0088838100000000, -0.0021748000000000, -0.0034143200000000 ] - [ 0.1059757800000000, -0.0101718700000000, 0.0401921300000000 ] - [ 0.0970225000000000, -0.0000128000000000, 0.0525473900000000 ] - [ 0.0970919000000000, -0.0000630400000000, 0.0534168800000000 ] - [ 0.0970114200000000, -0.0000008900000000, 0.0525583700000000 ] - [ -0.0085747700000000, -0.0021699700000000, 0.0038039700000000 ] - [ -0.0088236100000000, -0.0021974800000000, 0.0035523000000000 ] - [ -0.0095154500000000, -0.0017802100000000, 0.0031881800000000 ] - [ -0.0084081400000000, -0.0018936700000000, 0.0032203000000000 ] - [ 0.0087296600000000, 0.0022124900000000, -0.0036295100000000 ] - [ 0.0088072600000000, 0.0022166300000000, -0.0034745600000000 ] - [ 0.0085771800000000, 0.0020156000000000, -0.0032790400000000 ] - [ 0.0088337300000000, 0.0021964200000000, -0.0034272300000000 ] - [ -0.0968675000000000, 0.0000196500000000, -0.0524394000000000 ] - [ -0.0971064900000000, 0.0001114700000000, -0.0522460800000000 ] - [ -0.0970828900000000, -0.0001313500000000, -0.0525226800000000 ] - [ -0.0963393200000000, -0.0003615600000000, -0.0527485500000000 ] - [ -0.0086606500000000, 0.0019922300000000, 0.0036183200000000 ] - [ -0.0087677900000000, 0.0021389000000000, 0.0035265900000000 ] - [ -0.0088296300000000, 0.0020507000000000, 0.0032234700000000 ] - [ -0.0086910700000000, 0.0021921700000000, 0.0033920400000000 ] - [ 0.0088973900000000, -0.0021874900000000, -0.0035158800000000 ] - [ 0.0087260000000000, -0.0024735300000000, -0.0036087400000000 ] - [ 0.0087643000000000, -0.0022303900000000, -0.0034074000000000 ] - [ 0.0088791000000000, -0.0024659800000000, -0.0033019400000000 ] - [ 0.0974021500000000, -0.0001608500000000, 0.0524986300000000 ] - [ 0.0969367900000000, 0.0000532000000000, 0.0524965900000000 ] - [ 0.0968456500000000, 0.0000611800000000, 0.0526240200000000 ] - [ 0.0970062300000000, 0.0000381600000000, 0.0526223100000000 ] - [ -0.0090146000000000, -0.0022708300000000, 0.0038962400000000 ] - [ -0.0086746500000000, -0.0021523200000000, 0.0034884400000000 ] - [ -0.0084126500000000, -0.0027002900000000, 0.0026631300000000 ] - [ -0.0087003100000000, -0.0021499600000000, 0.0034419500000000 ] - [ 0.0089715700000000, 0.0023151900000000, -0.0037668000000000 ] - [ 0.0079962900000000, 0.0022660000000000, -0.0039597000000000 ] - [ 0.0087385400000000, 0.0021882800000000, -0.0033826200000000 ] - [ 0.0089147700000000, 0.0022212000000000, -0.0029927700000000 ] - [ -0.0970605100000000, -0.0001624000000000, -0.0522210500000000 ] - [ -0.0969191300000000, 0.0000046100000000, -0.0525608400000000 ] - [ -0.0974531000000000, 0.0007690700000000, -0.0530194800000000 ] - [ -0.0968901000000000, 0.0000047100000000, -0.0525572900000000 ] - [ -0.0090964200000000, 0.0026264600000000, 0.0045649600000000 ] - [ -0.0086541500000000, 0.0021525200000000, 0.0034885700000000 ] - [ -0.0139632800000000, 0.0020193600000000, -0.0049959300000000 ] - [ -0.0086880300000000, 0.0021451300000000, 0.0034481700000000 ] - [ -0.0003178700000000, 0.0016913700000000, 0.0032908900000000 ] - [ -0.0000310800000000, 0.0000332500000000, 0.0001141200000000 ] - [ 0.0000482500000000, -0.0000395700000000, -0.0006990800000000 ] - [ -0.0000649800000000, 0.0000055700000000, -0.0000568700000000 ] - [ -0.0006594200000000, 0.0004702300000000, 0.0016753300000000 ] - [ -0.0001121400000000, -0.0001060500000000, 0.0001236500000000 ] - [ 0.0001610200000000, -0.0000759800000000, -0.0004150900000000 ] - [ -0.0000450300000000, -0.0000052800000000, -0.0000633200000000 ] - [ 0.0004686100000000, 0.0000144700000000, -0.0000943500000000 ] - [ -0.0000574500000000, 0.0000022600000000, -0.0000056500000000 ] - [ -0.0003389500000000, 0.0005499400000000, -0.0005241500000000 ] - [ -0.0000055800000000, -0.0000042900000000, -0.0000001400000000 ] - [ 0.0055480300000000, 0.0031450600000000, 0.0020213100000000 ] - [ 0.0054019400000000, 0.0029954400000000, 0.0023913500000000 ] - [ 0.0064148100000000, 0.0002374000000000, -0.0013328400000000 ] - [ 0.0053732100000000, 0.0029941000000000, 0.0023995500000000 ] - [ -0.0006623200000000, -0.0057351400000000, 0.0423695800000000 ] - [ 0.0063760000000000, -0.0054704500000000, 0.0055324600000000 ] - [ 0.0064597400000000, -0.0055920200000000, 0.0053539000000000 ] - [ 0.0063732800000000, -0.0054729700000000, 0.0055168200000000 ] - [ -0.0327738000000000, -0.0001394500000000, 0.0049197400000000 ] - [ -0.0330075100000000, -0.0000009400000000, 0.0053170400000000 ] - [ -0.0335914500000000, 0.0025201900000000, 0.0021177200000000 ] - [ -0.0330037100000000, 0.0000024800000000, 0.0053207000000000 ] - [ -0.0061848000000000, 0.0034561700000000, -0.0027214100000000 ] - [ -0.0054501400000000, 0.0029781700000000, -0.0023692200000000 ] - [ -0.0052175200000000, 0.0029480300000000, -0.0024556400000000 ] - [ -0.0055898800000000, 0.0029017800000000, -0.0024836000000000 ] - [ 0.0062047700000000, 0.0053677600000000, 0.0060864800000000 ] - [ 0.0063833800000000, 0.0054745600000000, 0.0055285000000000 ] - [ 0.0064733700000000, 0.0055941500000000, 0.0054697300000000 ] - [ 0.0063774000000000, 0.0054767400000000, 0.0055226400000000 ] - [ -0.0064381700000000, -0.0055351700000000, -0.0055904200000000 ] - [ -0.0064363500000000, -0.0055375700000000, -0.0056414300000000 ] - [ -0.0041704100000000, -0.0054492200000000, -0.0053379700000000 ] - [ -0.0064396300000000, -0.0054961200000000, -0.0054092000000000 ] - [ 0.0054490200000000, -0.0029472100000000, 0.0023056600000000 ] - [ 0.0054026300000000, -0.0029968500000000, 0.0023885800000000 ] - [ 0.0055198200000000, -0.0028699000000000, 0.0024008700000000 ] - [ 0.0053935200000000, -0.0029999100000000, 0.0023937700000000 ] - [ 0.0328090400000000, -0.0000334400000000, -0.0053123800000000 ] - [ 0.0330718500000000, -0.0000216600000000, -0.0053539100000000 ] - [ 0.0330323900000000, 0.0000093800000000, -0.0053417200000000 ] - [ 0.0328821600000000, 0.0000206900000000, -0.0052864000000000 ] - [ -0.0064223100000000, 0.0055290100000000, -0.0055723200000000 ] - [ -0.0064337600000000, 0.0055431200000000, -0.0056015600000000 ] - [ -0.0064106700000000, 0.0055399900000000, -0.0055006100000000 ] - [ -0.0064202800000000, 0.0055366900000000, -0.0054313600000000 ] - [ -0.0054802700000000, -0.0029179500000000, -0.0023777600000000 ] - [ -0.0054163200000000, -0.0029996500000000, -0.0023877000000000 ] - [ -0.0053686800000000, -0.0029987600000000, -0.0024279000000000 ] - [ -0.0054647800000000, -0.0029599600000000, -0.0023966600000000 ] - [ -0.0002254300000000, 0.0003670400000000, -0.0000458500000000 ] - [ -0.0000106500000000, -0.0000047000000000, -0.0000001200000000 ] - [ 0.0002410500000000, -0.0002457300000000, -0.0000312900000000 ] - [ -0.0000377000000000, -0.0000156600000000, -0.0000018000000000 ] - [ 0.0053809100000000, 0.0030080900000000, 0.0023792400000000 ] - [ 0.0055164600000000, 0.0029831500000000, 0.0022658700000000 ] - [ 0.0054049700000000, 0.0030127600000000, 0.0023933900000000 ] - [ 0.0053565100000000, 0.0030742400000000, 0.0024679100000000 ] - [ 0.0063499100000000, -0.0054043100000000, 0.0055636300000000 ] - [ 0.0064516500000000, -0.0055346400000000, 0.0055710300000000 ] - [ 0.0063803200000000, -0.0054668400000000, 0.0054899200000000 ] - [ 0.0063942000000000, -0.0054435700000000, 0.0054909900000000 ] - [ -0.0330955400000000, 0.0000293000000000, 0.0052132100000000 ] - [ -0.0329432100000000, 0.0000104400000000, 0.0053136300000000 ] - [ -0.0329593300000000, -0.0000356300000000, 0.0053395800000000 ] - [ -0.0330325100000000, -0.0000639800000000, 0.0053143400000000 ] - [ -0.0050269300000000, 0.0020642800000000, -0.0025861900000000 ] - [ -0.0054640000000000, 0.0029734900000000, -0.0023906300000000 ] - [ -0.0053665800000000, 0.0031118700000000, -0.0024394900000000 ] - [ -0.0054519500000000, 0.0029724200000000, -0.0023902300000000 ] - [ 0.0063612500000000, 0.0053783700000000, 0.0056329900000000 ] - [ 0.0063731700000000, 0.0055153500000000, 0.0056339800000000 ] - [ 0.0063753000000000, 0.0054659300000000, 0.0054685800000000 ] - [ 0.0063813500000000, 0.0054415300000000, 0.0054691300000000 ] - [ -0.0063469000000000, -0.0054190600000000, -0.0055613600000000 ] - [ -0.0064366900000000, -0.0055149800000000, -0.0055501300000000 ] - [ -0.0063429900000000, -0.0054525900000000, -0.0054001700000000 ] - [ -0.0064391300000000, -0.0055195300000000, -0.0055335900000000 ] - [ 0.0053392000000000, -0.0030328600000000, 0.0023606000000000 ] - [ 0.0058636300000000, -0.0029940600000000, 0.0021342500000000 ] - [ 0.0054014700000000, -0.0030079300000000, 0.0023938200000000 ] - [ 0.0030729800000000, -0.0037899800000000, 0.0019064800000000 ] - [ 0.0335049100000000, 0.0005086100000000, -0.0055062200000000 ] - [ 0.0329574400000000, -0.0000037700000000, -0.0053253200000000 ] - [ 0.0330279400000000, -0.0001126300000000, -0.0053041800000000 ] - [ 0.0329582000000000, -0.0000031300000000, -0.0053277700000000 ] - [ -0.0063614500000000, 0.0054119800000000, -0.0056998900000000 ] - [ -0.0064409200000000, 0.0055159300000000, -0.0055557000000000 ] - [ -0.0069550400000000, 0.0029490800000000, -0.0047935200000000 ] - [ -0.0064417600000000, 0.0055161100000000, -0.0055346300000000 ] - [ -0.0013873400000000, -0.0021022700000000, -0.0054370200000000 ] - [ -0.0054598500000000, -0.0029771800000000, -0.0023841700000000 ] - [ -0.0052254700000000, -0.0031239200000000, -0.0030487600000000 ] - [ -0.0054528600000000, -0.0029696500000000, -0.0023937000000000 ]- atom: 69 displacement: [ 0.0099998730498564, 0.0000000000000000, 0.0000503883593317 ] forces: - [ 0.0091306900000000, -0.0019840900000000, -0.0030143800000000 ] - [ 0.0085264700000000, -0.0021003600000000, -0.0034878500000000 ] - [ 0.0091953000000000, -0.0019120900000000, -0.0033862200000000 ] - [ 0.0085626900000000, -0.0020746400000000, -0.0034763200000000 ] - [ 0.1022141900000000, 0.0000000000000000, 0.0592621200000000 ] - [ 0.0967385400000000, 0.0000000000000000, 0.0525921400000000 ] - [ 0.0981260900000000, 0.0000000000000000, 0.0520203900000000 ] - [ 0.0968143700000000, 0.0000000000000000, 0.0525660800000000 ] - [ -0.0091142200000000, -0.0017069900000000, 0.0033332400000000 ] - [ -0.0090563900000000, -0.0023797700000000, 0.0035300900000000 ] - [ -0.0086899100000000, -0.0021408900000000, 0.0034887000000000 ] - [ -0.0088761300000000, -0.0022646200000000, 0.0033855200000000 ] - [ 0.0091306900000000, 0.0019840900000000, -0.0030143800000000 ] - [ 0.0085264700000000, 0.0021003600000000, -0.0034878500000000 ] - [ 0.0091953000000000, 0.0019120900000000, -0.0033862200000000 ] - [ 0.0085626900000000, 0.0020746400000000, -0.0034763200000000 ] - [ -0.0980453400000000, 0.0000000000000000, -0.0528556700000000 ] - [ -0.0977841300000000, 0.0000000000000000, -0.0511728300000000 ] - [ -0.0969851300000000, 0.0000000000000000, -0.0525469100000000 ] - [ -0.0965266600000000, 0.0000000000000000, -0.0522250700000000 ] - [ -0.0091142200000000, 0.0017069900000000, 0.0033332400000000 ] - [ -0.0090563900000000, 0.0023797700000000, 0.0035300900000000 ] - [ -0.0086899100000000, 0.0021408900000000, 0.0034887000000000 ] - [ -0.0088761300000000, 0.0022646200000000, 0.0033855200000000 ] - [ 0.0084348900000000, -0.0023954700000000, -0.0033042900000000 ] - [ 0.0085608600000000, -0.0010194700000000, -0.0043686200000000 ] - [ 0.0085338800000000, -0.0021947500000000, -0.0036789600000000 ] - [ 0.0086326200000000, -0.0019250300000000, -0.0033811600000000 ] - [ 0.0968431900000000, 0.0000000000000000, 0.0526892700000000 ] - [ 0.0968869000000000, 0.0000000000000000, 0.0525366400000000 ] - [ 0.0969859400000000, 0.0000000000000000, 0.0524742500000000 ] - [ 0.0968895400000000, 0.0000000000000000, 0.0526065500000000 ] - [ 0.0067983900000000, -0.0128094700000000, -0.0018967000000000 ] - [ -0.0089920700000000, -0.0022866200000000, 0.0034146300000000 ] - [ -0.0083560400000000, -0.0017694800000000, 0.0035537900000000 ] - [ -0.0089361900000000, -0.0022906200000000, 0.0034201300000000 ] - [ 0.0084348900000000, 0.0023954700000000, -0.0033042900000000 ] - [ 0.0085608600000000, 0.0010194700000000, -0.0043686200000000 ] - [ 0.0085338800000000, 0.0021947500000000, -0.0036789600000000 ] - [ 0.0086326200000000, 0.0019250300000000, -0.0033811600000000 ] - [ -0.0960579900000000, 0.0000000000000000, -0.0533538800000000 ] - [ -0.0971243900000000, 0.0000000000000000, -0.0525415500000000 ] - [ -0.0967407700000000, 0.0000000000000000, -0.0525180200000000 ] - [ -0.0970885300000000, 0.0000000000000000, -0.0525504500000000 ] - [ 0.0067983900000000, 0.0128094700000000, -0.0018967000000000 ] - [ -0.0089920700000000, 0.0022866200000000, 0.0034146300000000 ] - [ -0.0083560400000000, 0.0017694800000000, 0.0035537900000000 ] - [ -0.0089361900000000, 0.0022906200000000, 0.0034201300000000 ] - [ -0.0009404700000000, 0.0000000000000000, -0.0000900600000000 ] - [ 0.0002403200000000, 0.0000000000000000, -0.0001160100000000 ] - [ 0.0008806200000000, 0.0000000000000000, -0.0018398100000000 ] - [ 0.0003785200000000, 0.0000000000000000, 0.0001136400000000 ] - [ -0.0001266500000000, 0.0000000000000000, -0.0001539800000000 ] - [ 0.0001778400000000, 0.0000000000000000, 0.0000102500000000 ] - [ -0.0003027200000000, 0.0000000000000000, 0.0002848000000000 ] - [ 0.0002294300000000, 0.0000000000000000, -0.0001027300000000 ] - [ 0.0111619300000000, 0.0000000000000000, 0.0050765500000000 ] - [ 0.0001633800000000, 0.0000000000000000, 0.0000256000000000 ] - [ -0.0001450300000000, 0.0000000000000000, 0.0000839700000000 ] - [ 0.0000570800000000, 0.0000000000000000, 0.0000178600000000 ] - [ 0.0051465900000000, 0.0015196500000000, 0.0025676700000000 ] - [ 0.0055360500000000, 0.0029441400000000, 0.0023795700000000 ] - [ 0.0053273300000000, 0.0030291200000000, 0.0023982200000000 ] - [ 0.0055152600000000, 0.0029441400000000, 0.0023916500000000 ] - [ 0.0060929900000000, -0.0054553400000000, 0.0053026600000000 ] - [ 0.0065006700000000, -0.0055603000000000, 0.0055670900000000 ] - [ 0.0055480800000000, -0.0060817700000000, 0.0060865700000000 ] - [ 0.0064935800000000, -0.0055655400000000, 0.0055626900000000 ] - [ -0.0781740400000000, 0.0000000000000000, 0.0051795100000000 ] - [ -0.0328803800000000, 0.0000000000000000, 0.0053287100000000 ] - [ -0.0330854800000000, 0.0000000000000000, 0.0052564000000000 ] - [ -0.0329188500000000, 0.0000000000000000, 0.0053530600000000 ] - [ -0.0053541700000000, 0.0028559300000000, -0.0024625500000000 ] - [ -0.0053234000000000, 0.0030796900000000, -0.0023754400000000 ] - [ -0.0054950000000000, 0.0029444600000000, -0.0023514900000000 ] - [ -0.0053358000000000, 0.0030285500000000, -0.0024036000000000 ] - [ 0.0060929900000000, 0.0054553400000000, 0.0053026600000000 ] - [ 0.0065006700000000, 0.0055603000000000, 0.0055670900000000 ] - [ 0.0055480800000000, 0.0060817700000000, 0.0060865700000000 ] - [ 0.0064935800000000, 0.0055655400000000, 0.0055626900000000 ] - [ -0.0061816700000000, -0.0056268700000000, -0.0053425700000000 ] - [ -0.0062895000000000, -0.0053442800000000, -0.0056150600000000 ] - [ -0.0064162800000000, -0.0055167900000000, -0.0055859200000000 ] - [ -0.0063133100000000, -0.0054416800000000, -0.0054277700000000 ] - [ 0.0051465900000000, -0.0015196500000000, 0.0025676700000000 ] - [ 0.0055360500000000, -0.0029441400000000, 0.0023795700000000 ] - [ 0.0053273300000000, -0.0030291200000000, 0.0023982200000000 ] - [ 0.0055152600000000, -0.0029441400000000, 0.0023916500000000 ] - [ 0.0335039100000000, 0.0000000000000000, -0.0054971600000000 ] - [ 0.0339811900000000, 0.0000000000000000, -0.0049761900000000 ] - [ 0.0329965100000000, 0.0000000000000000, -0.0052720900000000 ] - [ 0.0328798600000000, 0.0000000000000000, -0.0053718300000000 ] - [ -0.0061816700000000, 0.0056268700000000, -0.0053425700000000 ] - [ -0.0062895000000000, 0.0053442800000000, -0.0056150600000000 ] - [ -0.0064162800000000, 0.0055167900000000, -0.0055859200000000 ] - [ -0.0063133100000000, 0.0054416800000000, -0.0054277700000000 ] - [ -0.0053541700000000, -0.0028559300000000, -0.0024625500000000 ] - [ -0.0053234000000000, -0.0030796900000000, -0.0023754400000000 ] - [ -0.0054950000000000, -0.0029444600000000, -0.0023514900000000 ] - [ -0.0053358000000000, -0.0030285500000000, -0.0024036000000000 ] - [ 0.0000323700000000, 0.0000000000000000, -0.0000665100000000 ] - [ 0.0000793900000000, 0.0000000000000000, -0.0000024800000000 ] - [ -0.0000537600000000, 0.0000000000000000, -0.0000079000000000 ] - [ 0.0000571800000000, 0.0000000000000000, -0.0000017500000000 ] - [ 0.0055218700000000, 0.0030022300000000, 0.0023893200000000 ] - [ 0.0058429100000000, 0.0029794500000000, 0.0023302700000000 ] - [ 0.0054642800000000, 0.0029911900000000, 0.0024004200000000 ] - [ 0.0053974800000000, 0.0029500000000000, 0.0023762900000000 ] - [ 0.0064290900000000, -0.0054709800000000, 0.0054968600000000 ] - [ 0.0064396000000000, -0.0056770400000000, 0.0056510600000000 ] - [ 0.0064656000000000, -0.0054516400000000, 0.0055895200000000 ] - [ 0.0064273100000000, -0.0055402000000000, 0.0055132800000000 ] - [ -0.0329255500000000, 0.0000000000000000, 0.0053031700000000 ] - [ -0.0329259400000000, 0.0000000000000000, 0.0053398000000000 ] - [ -0.0329731100000000, 0.0000000000000000, 0.0053349400000000 ] - [ -0.0329729700000000, 0.0000000000000000, 0.0053428600000000 ] - [ -0.0056880600000000, 0.0023131500000000, -0.0018003500000000 ] - [ -0.0053183400000000, 0.0030368000000000, -0.0023995500000000 ] - [ -0.0055920400000000, 0.0029389600000000, -0.0023430700000000 ] - [ -0.0053256200000000, 0.0030417500000000, -0.0023781600000000 ] - [ 0.0064290900000000, 0.0054709800000000, 0.0054968600000000 ] - [ 0.0064396000000000, 0.0056770400000000, 0.0056510600000000 ] - [ 0.0064656000000000, 0.0054516400000000, 0.0055895200000000 ] - [ 0.0064273100000000, 0.0055402000000000, 0.0055132800000000 ] - [ -0.0073239600000000, -0.0069570700000000, -0.0061212100000000 ] - [ -0.0063264300000000, -0.0054222300000000, -0.0055036200000000 ] - [ -0.0065292100000000, -0.0056161600000000, -0.0055905000000000 ] - [ -0.0063368900000000, -0.0054321600000000, -0.0055052600000000 ] - [ 0.0055218700000000, -0.0030022300000000, 0.0023893200000000 ] - [ 0.0058429100000000, -0.0029794500000000, 0.0023302700000000 ] - [ 0.0054642800000000, -0.0029911900000000, 0.0024004200000000 ] - [ 0.0053974800000000, -0.0029500000000000, 0.0023762900000000 ] - [ 0.0328429700000000, 0.0000000000000000, -0.0053973100000000 ] - [ 0.0330382300000000, 0.0000000000000000, -0.0053108400000000 ] - [ 0.0328394100000000, 0.0000000000000000, -0.0053767800000000 ] - [ 0.0330313000000000, 0.0000000000000000, -0.0053080100000000 ] - [ -0.0073239600000000, 0.0069570700000000, -0.0061212100000000 ] - [ -0.0063264300000000, 0.0054222300000000, -0.0055036200000000 ] - [ -0.0065292100000000, 0.0056161600000000, -0.0055905000000000 ] - [ -0.0063368900000000, 0.0054321600000000, -0.0055052600000000 ] - [ -0.0056880600000000, -0.0023131500000000, -0.0018003500000000 ] - [ -0.0053183400000000, -0.0030368000000000, -0.0023995500000000 ] - [ -0.0055920400000000, -0.0029389600000000, -0.0023430700000000 ] - [ -0.0053256200000000, -0.0030417500000000, -0.0023781600000000 ]- atom: 69 displacement: [ -0.0099998730498564, 0.0000000000000000, -0.0000503883593317 ] forces: - [ 0.0083848000000000, -0.0023573800000000, -0.0038890900000000 ] - [ 0.0089807700000000, -0.0022413200000000, -0.0034213600000000 ] - [ 0.0083149400000000, -0.0024348700000000, -0.0035267500000000 ] - [ 0.0089439600000000, -0.0022679200000000, -0.0034333600000000 ] - [ 0.0917376300000000, 0.0000000000000000, 0.0457991100000000 ] - [ 0.0971891200000000, 0.0000000000000000, 0.0525278800000000 ] - [ 0.0958037100000000, 0.0000000000000000, 0.0531083600000000 ] - [ 0.0971143700000000, 0.0000000000000000, 0.0525525700000000 ] - [ -0.0083973200000000, -0.0026297700000000, 0.0035738700000000 ] - [ -0.0084540200000000, -0.0019658700000000, 0.0033778600000000 ] - [ -0.0088175700000000, -0.0022013900000000, 0.0034204800000000 ] - [ -0.0086358700000000, -0.0020806000000000, 0.0035231400000000 ] - [ 0.0083848000000000, 0.0023573800000000, -0.0038890900000000 ] - [ 0.0089807700000000, 0.0022413200000000, -0.0034213600000000 ] - [ 0.0083149400000000, 0.0024348700000000, -0.0035267500000000 ] - [ 0.0089439600000000, 0.0022679200000000, -0.0034333600000000 ] - [ -0.0959019300000000, 0.0000000000000000, -0.0522679200000000 ] - [ -0.0961489400000000, 0.0000000000000000, -0.0539633300000000 ] - [ -0.0969450000000000, 0.0000000000000000, -0.0525722100000000 ] - [ -0.0974018200000000, 0.0000000000000000, -0.0528951900000000 ] - [ -0.0083973200000000, 0.0026297700000000, 0.0035738700000000 ] - [ -0.0084540200000000, 0.0019658700000000, 0.0033778600000000 ] - [ -0.0088175700000000, 0.0022013900000000, 0.0034204800000000 ] - [ -0.0086358700000000, 0.0020806000000000, 0.0035231400000000 ] - [ 0.0090699200000000, -0.0019490500000000, -0.0036015900000000 ] - [ 0.0089441100000000, -0.0033256400000000, -0.0025324200000000 ] - [ 0.0089724700000000, -0.0021478600000000, -0.0032326200000000 ] - [ 0.0088788500000000, -0.0024150500000000, -0.0035271100000000 ] - [ 0.0970874100000000, 0.0000000000000000, 0.0524324900000000 ] - [ 0.0970406800000000, 0.0000000000000000, 0.0525831300000000 ] - [ 0.0969449000000000, 0.0000000000000000, 0.0526450500000000 ] - [ 0.0970388300000000, 0.0000000000000000, 0.0525117000000000 ] - [ -0.0245839500000000, 0.0088596400000000, 0.0090141800000000 ] - [ -0.0085199000000000, -0.0020568700000000, 0.0034929500000000 ] - [ -0.0091480900000000, -0.0025676200000000, 0.0033563800000000 ] - [ -0.0085747200000000, -0.0020520700000000, 0.0034878600000000 ] - [ 0.0090699200000000, 0.0019490500000000, -0.0036015900000000 ] - [ 0.0089441100000000, 0.0033256400000000, -0.0025324200000000 ] - [ 0.0089724700000000, 0.0021478600000000, -0.0032326200000000 ] - [ 0.0088788500000000, 0.0024150500000000, -0.0035271100000000 ] - [ -0.0978731600000000, 0.0000000000000000, -0.0517653800000000 ] - [ -0.0968064500000000, 0.0000000000000000, -0.0525768200000000 ] - [ -0.0971873500000000, 0.0000000000000000, -0.0526033700000000 ] - [ -0.0968424300000000, 0.0000000000000000, -0.0525681800000000 ] - [ -0.0245839500000000, -0.0088596400000000, 0.0090141800000000 ] - [ -0.0085199000000000, 0.0020568700000000, 0.0034929500000000 ] - [ -0.0091480900000000, 0.0025676200000000, 0.0033563800000000 ] - [ -0.0085747200000000, 0.0020520700000000, 0.0034878600000000 ] - [ 0.0009537700000000, 0.0000000000000000, 0.0001030700000000 ] - [ -0.0002370800000000, 0.0000000000000000, 0.0001144100000000 ] - [ -0.0008853700000000, 0.0000000000000000, 0.0018439900000000 ] - [ -0.0003740400000000, 0.0000000000000000, -0.0001119700000000 ] - [ 0.0001245100000000, 0.0000000000000000, 0.0001528400000000 ] - [ -0.0001753600000000, 0.0000000000000000, -0.0000111300000000 ] - [ 0.0003023000000000, 0.0000000000000000, -0.0002805000000000 ] - [ -0.0002270200000000, 0.0000000000000000, 0.0001024000000000 ] - [ -0.0114399800000000, 0.0000000000000000, -0.0052000900000000 ] - [ -0.0001610400000000, 0.0000000000000000, -0.0000241300000000 ] - [ 0.0001465200000000, 0.0000000000000000, -0.0000818900000000 ] - [ -0.0000563100000000, 0.0000000000000000, -0.0000185900000000 ] - [ 0.0057004800000000, 0.0044429500000000, 0.0022119200000000 ] - [ 0.0053153200000000, 0.0030231400000000, 0.0024015100000000 ] - [ 0.0055211800000000, 0.0029402700000000, 0.0023824200000000 ] - [ 0.0053360800000000, 0.0030233800000000, 0.0023898200000000 ] - [ 0.0067174000000000, -0.0055355200000000, 0.0057644700000000 ] - [ 0.0063146500000000, -0.0054319800000000, 0.0055024100000000 ] - [ 0.0072632300000000, -0.0049005000000000, 0.0049763600000000 ] - [ 0.0063219000000000, -0.0054270400000000, 0.0055069600000000 ] - [ 0.0130141800000000, 0.0000000000000000, 0.0052095000000000 ] - [ -0.0330834600000000, 0.0000000000000000, 0.0053173300000000 ] - [ -0.0328798500000000, 0.0000000000000000, 0.0053887200000000 ] - [ -0.0330446900000000, 0.0000000000000000, 0.0052938000000000 ] - [ -0.0054949600000000, 0.0031102100000000, -0.0023193700000000 ] - [ -0.0055251100000000, 0.0028887100000000, -0.0024057100000000 ] - [ -0.0053555500000000, 0.0030233300000000, -0.0024286800000000 ] - [ -0.0055131600000000, 0.0029400200000000, -0.0023772400000000 ] - [ 0.0067174000000000, 0.0055355200000000, 0.0057644700000000 ] - [ 0.0063146500000000, 0.0054319800000000, 0.0055024100000000 ] - [ 0.0072632300000000, 0.0049005000000000, 0.0049763600000000 ] - [ 0.0063219000000000, 0.0054270400000000, 0.0055069600000000 ] - [ -0.0066288500000000, -0.0053673700000000, -0.0057234500000000 ] - [ -0.0065228800000000, -0.0056448200000000, -0.0054538200000000 ] - [ -0.0063982600000000, -0.0054750000000000, -0.0054843200000000 ] - [ -0.0064995000000000, -0.0055474900000000, -0.0056411900000000 ] - [ 0.0057004800000000, -0.0044429500000000, 0.0022119200000000 ] - [ 0.0053153200000000, -0.0030231400000000, 0.0024015100000000 ] - [ 0.0055211800000000, -0.0029402700000000, 0.0023824200000000 ] - [ 0.0053360800000000, -0.0030233800000000, 0.0023898200000000 ] - [ 0.0324681600000000, 0.0000000000000000, -0.0051517100000000 ] - [ 0.0319737100000000, 0.0000000000000000, -0.0056718300000000 ] - [ 0.0329679500000000, 0.0000000000000000, -0.0053732200000000 ] - [ 0.0330844200000000, 0.0000000000000000, -0.0052744400000000 ] - [ -0.0066288500000000, 0.0053673700000000, -0.0057234500000000 ] - [ -0.0065228800000000, 0.0056448200000000, -0.0054538200000000 ] - [ -0.0063982600000000, 0.0054750000000000, -0.0054843200000000 ] - [ -0.0064995000000000, 0.0055474900000000, -0.0056411900000000 ] - [ -0.0054949600000000, -0.0031102100000000, -0.0023193700000000 ] - [ -0.0055251100000000, -0.0028887100000000, -0.0024057100000000 ] - [ -0.0053555500000000, -0.0030233300000000, -0.0024286800000000 ] - [ -0.0055131600000000, -0.0029400200000000, -0.0023772400000000 ] - [ -0.0000322400000000, 0.0000000000000000, 0.0000671700000000 ] - [ -0.0000785300000000, 0.0000000000000000, 0.0000035800000000 ] - [ 0.0000529700000000, 0.0000000000000000, 0.0000067200000000 ] - [ -0.0000563700000000, 0.0000000000000000, 0.0000007500000000 ] - [ 0.0053292200000000, 0.0029662600000000, 0.0023912600000000 ] - [ 0.0050071200000000, 0.0029871200000000, 0.0024515700000000 ] - [ 0.0053862100000000, 0.0029773700000000, 0.0023806900000000 ] - [ 0.0054524300000000, 0.0030166300000000, 0.0024048000000000 ] - [ 0.0063855000000000, -0.0055202100000000, 0.0055721000000000 ] - [ 0.0063753900000000, -0.0053147000000000, 0.0054183900000000 ] - [ 0.0063490900000000, -0.0055387600000000, 0.0054803400000000 ] - [ 0.0063867400000000, -0.0054523200000000, 0.0055566800000000 ] - [ -0.0330386700000000, 0.0000000000000000, 0.0053429200000000 ] - [ -0.0330387200000000, 0.0000000000000000, 0.0053077200000000 ] - [ -0.0329915000000000, 0.0000000000000000, 0.0053113600000000 ] - [ -0.0329911100000000, 0.0000000000000000, 0.0053040600000000 ] - [ -0.0051620000000000, 0.0036521600000000, -0.0029815100000000 ] - [ -0.0055302700000000, 0.0029321800000000, -0.0023815600000000 ] - [ -0.0052590300000000, 0.0030269900000000, -0.0024367500000000 ] - [ -0.0055231500000000, 0.0029272700000000, -0.0024020400000000 ] - [ 0.0063855000000000, 0.0055202100000000, 0.0055721000000000 ] - [ 0.0063753900000000, 0.0053147000000000, 0.0054183900000000 ] - [ 0.0063490900000000, 0.0055387600000000, 0.0054803400000000 ] - [ 0.0063867400000000, 0.0054523200000000, 0.0055566800000000 ] - [ -0.0054838700000000, -0.0040221500000000, -0.0049418300000000 ] - [ -0.0064865200000000, -0.0055681700000000, -0.0055653200000000 ] - [ -0.0062874000000000, -0.0053775500000000, -0.0054800600000000 ] - [ -0.0064762800000000, -0.0055583600000000, -0.0055639600000000 ] - [ 0.0053292200000000, -0.0029662600000000, 0.0023912600000000 ] - [ 0.0050071200000000, -0.0029871200000000, 0.0024515700000000 ] - [ 0.0053862100000000, -0.0029773700000000, 0.0023806900000000 ] - [ 0.0054524300000000, -0.0030166300000000, 0.0024048000000000 ] - [ 0.0331203700000000, 0.0000000000000000, -0.0052495900000000 ] - [ 0.0329267000000000, 0.0000000000000000, -0.0053356100000000 ] - [ 0.0331249000000000, 0.0000000000000000, -0.0052691200000000 ] - [ 0.0329341500000000, 0.0000000000000000, -0.0053389700000000 ] - [ -0.0054838700000000, 0.0040221500000000, -0.0049418300000000 ] - [ -0.0064865200000000, 0.0055681700000000, -0.0055653200000000 ] - [ -0.0062874000000000, 0.0053775500000000, -0.0054800600000000 ] - [ -0.0064762800000000, 0.0055583600000000, -0.0055639600000000 ] - [ -0.0051620000000000, -0.0036521600000000, -0.0029815100000000 ] - [ -0.0055302700000000, -0.0029321800000000, -0.0023815600000000 ] - [ -0.0052590300000000, -0.0030269900000000, -0.0024367500000000 ] - [ -0.0055231500000000, -0.0029272700000000, -0.0024020400000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0091676100000000, -0.0029190900000000, -0.0041360500000000 ] - [ 0.0087210000000000, -0.0021868600000000, -0.0034641100000000 ] - [ 0.0090337500000000, -0.0027786400000000, -0.0030747400000000 ] - [ 0.0087372900000000, -0.0021899000000000, -0.0034618100000000 ] - [ 0.0969483000000000, 0.0038025800000000, 0.0525533900000000 ] - [ 0.0969635700000000, 0.0000083100000000, 0.0525599700000000 ] - [ 0.0969631700000000, 0.0009957700000000, 0.0525555400000000 ] - [ 0.0969641100000000, 0.0000219100000000, 0.0525596600000000 ] - [ -0.0081082500000000, -0.0025411100000000, 0.0036333000000000 ] - [ -0.0089155900000000, -0.0023310700000000, 0.0035256800000000 ] - [ -0.0087570600000000, -0.0022408000000000, 0.0034658800000000 ] - [ -0.0087689600000000, -0.0021682000000000, 0.0034477200000000 ] - [ 0.0083414500000000, 0.0014275400000000, -0.0027657800000000 ] - [ 0.0087880900000000, 0.0021564800000000, -0.0034425200000000 ] - [ 0.0084744000000000, 0.0015659800000000, -0.0038367500000000 ] - [ 0.0087733300000000, 0.0021552900000000, -0.0034469000000000 ] - [ -0.0969613500000000, 0.0002000100000000, -0.0525585700000000 ] - [ -0.0969626900000000, 0.0004342200000000, -0.0525532700000000 ] - [ -0.0969641900000000, 0.0000389400000000, -0.0525601500000000 ] - [ -0.0969545600000000, 0.0002716400000000, -0.0525566000000000 ] - [ -0.0094080700000000, 0.0018072300000000, 0.0032716300000000 ] - [ -0.0085922300000000, 0.0020125300000000, 0.0033825700000000 ] - [ -0.0087536000000000, 0.0021048200000000, 0.0034419000000000 ] - [ -0.0087410100000000, 0.0021767800000000, 0.0034577900000000 ] - [ 0.0086929800000000, -0.0021147300000000, -0.0034342700000000 ] - [ 0.0094490200000000, -0.0017869100000000, -0.0030960800000000 ] - [ 0.0086606200000000, -0.0021308900000000, -0.0035260500000000 ] - [ 0.0089290300000000, -0.0019101900000000, -0.0036020200000000 ] - [ 0.0969639000000000, -0.0001377900000000, 0.0525608900000000 ] - [ 0.0969643600000000, -0.0000939900000000, 0.0525613200000000 ] - [ 0.0969645400000000, -0.0001355800000000, 0.0525607400000000 ] - [ 0.0969649700000000, -0.0000982100000000, 0.0525591400000000 ] - [ -0.0180464300000000, 0.0113591200000000, 0.0075323700000000 ] - [ -0.0087612700000000, -0.0021594600000000, 0.0034548000000000 ] - [ -0.0085921200000000, -0.0022293300000000, 0.0035936300000000 ] - [ -0.0087584200000000, -0.0021607900000000, 0.0034488500000000 ] - [ 0.0088171200000000, 0.0022249500000000, -0.0034733300000000 ] - [ 0.0080585500000000, 0.0025430600000000, -0.0038071700000000 ] - [ 0.0088493600000000, 0.0022119200000000, -0.0033809100000000 ] - [ 0.0085800900000000, 0.0024310600000000, -0.0033089100000000 ] - [ -0.0969640700000000, -0.0015495200000000, -0.0525623900000000 ] - [ -0.0969642700000000, -0.0000161400000000, -0.0525598300000000 ] - [ -0.0969645200000000, -0.0001419700000000, -0.0525607200000000 ] - [ -0.0969647600000000, -0.0000130500000000, -0.0525604700000000 ] - [ 0.0001150300000000, 0.0153078300000000, -0.0003944700000000 ] - [ -0.0087486400000000, 0.0021834100000000, 0.0034529900000000 ] - [ -0.0089114200000000, 0.0021099300000000, 0.0033109300000000 ] - [ -0.0087513400000000, 0.0021811100000000, 0.0034579500000000 ] - [ 0.0000044200000000, -0.0012182000000000, 0.0000062600000000 ] - [ -0.0000000400000000, -0.0000410400000000, 0.0000002300000000 ] - [ -0.0000058900000000, -0.0047486700000000, 0.0000071800000000 ] - [ -0.0000004900000000, -0.0000813000000000, -0.0000005800000000 ] - [ 0.0000005100000000, 0.0004010800000000, -0.0000003100000000 ] - [ 0.0000000500000000, 0.0000423800000000, -0.0000005400000000 ] - [ 0.0000016200000000, 0.0008205300000000, 0.0000017600000000 ] - [ -0.0000006900000000, 0.0001152700000000, 0.0000002400000000 ] - [ 0.0000288700000000, -0.0017694400000000, 0.0000103000000000 ] - [ -0.0000003500000000, -0.0000067900000000, 0.0000008500000000 ] - [ -0.0000010400000000, -0.0000512000000000, 0.0000020000000000 ] - [ 0.0000000500000000, -0.0000112300000000, -0.0000009600000000 ] - [ 0.0046091700000000, 0.0065141700000000, 0.0022878800000000 ] - [ 0.0054373400000000, 0.0029894700000000, 0.0023889200000000 ] - [ 0.0054505700000000, 0.0029938500000000, 0.0023740100000000 ] - [ 0.0054296800000000, 0.0029878000000000, 0.0023895400000000 ] - [ 0.0064624700000000, -0.0055870200000000, 0.0056790400000000 ] - [ 0.0064060300000000, -0.0054982100000000, 0.0055352700000000 ] - [ 0.0060544600000000, -0.0044438200000000, 0.0030165300000000 ] - [ 0.0064111500000000, -0.0054994800000000, 0.0055321000000000 ] - [ -0.0325725100000000, -0.0363626700000000, 0.0050711300000000 ] - [ -0.0329825900000000, -0.0000050800000000, 0.0053228500000000 ] - [ -0.0329828400000000, -0.0000113600000000, 0.0053239400000000 ] - [ -0.0329823800000000, -0.0000039200000000, 0.0053231100000000 ] - [ -0.0055742000000000, 0.0030861400000000, -0.0023155900000000 ] - [ -0.0053354300000000, 0.0030426500000000, -0.0023596700000000 ] - [ -0.0055012700000000, 0.0030123600000000, -0.0024465100000000 ] - [ -0.0053748600000000, 0.0030218100000000, -0.0024030600000000 ] - [ 0.0063498100000000, 0.0054002600000000, 0.0053915000000000 ] - [ 0.0064070500000000, 0.0054924000000000, 0.0055343500000000 ] - [ 0.0067606700000000, 0.0065528600000000, 0.0080755700000000 ] - [ 0.0064013000000000, 0.0054910300000000, 0.0055370000000000 ] - [ -0.0065380200000000, -0.0055360500000000, -0.0055789600000000 ] - [ -0.0063601800000000, -0.0055189700000000, -0.0055530900000000 ] - [ -0.0064255300000000, -0.0055053400000000, -0.0055270300000000 ] - [ -0.0064119200000000, -0.0055161900000000, -0.0055150200000000 ] - [ 0.0062629500000000, 0.0006314300000000, 0.0024975500000000 ] - [ 0.0054127800000000, -0.0029779700000000, 0.0023926400000000 ] - [ 0.0053994200000000, -0.0029743700000000, 0.0024083300000000 ] - [ 0.0054205300000000, -0.0029799900000000, 0.0023931700000000 ] - [ 0.0329805700000000, -0.0000531800000000, -0.0053222100000000 ] - [ 0.0329852600000000, -0.0001446200000000, -0.0053227600000000 ] - [ 0.0329824300000000, -0.0000339800000000, -0.0053231100000000 ] - [ 0.0329802600000000, -0.0001734300000000, -0.0053212700000000 ] - [ -0.0062756100000000, 0.0054528500000000, -0.0054915600000000 ] - [ -0.0064531300000000, 0.0054715100000000, -0.0055160600000000 ] - [ -0.0063875700000000, 0.0054848700000000, -0.0055422300000000 ] - [ -0.0063997400000000, 0.0054729000000000, -0.0055543300000000 ] - [ -0.0052748700000000, -0.0028831500000000, -0.0024670500000000 ] - [ -0.0055151900000000, -0.0029253500000000, -0.0024235900000000 ] - [ -0.0053484300000000, -0.0029554600000000, -0.0023350000000000 ] - [ -0.0054765400000000, -0.0029451700000000, -0.0023781600000000 ] - [ 0.0000019200000000, 0.0005432400000000, -0.0000003900000000 ] - [ 0.0000000000000000, 0.0000267000000000, 0.0000008000000000 ] - [ -0.0000000400000000, 0.0000909600000000, -0.0000010700000000 ] - [ -0.0000002100000000, 0.0000159900000000, -0.0000008600000000 ] - [ 0.0054493300000000, 0.0029693000000000, 0.0023865100000000 ] - [ 0.0041950100000000, 0.0027494900000000, 0.0018703000000000 ] - [ 0.0054367800000000, 0.0029749700000000, 0.0023961000000000 ] - [ 0.0054160800000000, 0.0028852700000000, 0.0025034100000000 ] - [ 0.0064170000000000, -0.0054834500000000, 0.0055252100000000 ] - [ 0.0063328800000000, -0.0054636500000000, 0.0054994900000000 ] - [ 0.0064552900000000, -0.0054774500000000, 0.0056020500000000 ] - [ 0.0063747000000000, -0.0054505000000000, 0.0055675800000000 ] - [ -0.0329823000000000, 0.0000725000000000, 0.0053229300000000 ] - [ -0.0329828400000000, 0.0000723400000000, 0.0053233200000000 ] - [ -0.0329823300000000, 0.0000054700000000, 0.0053233900000000 ] - [ -0.0329825300000000, 0.0000053200000000, 0.0053241600000000 ] - [ -0.0063316100000000, 0.0039758500000000, -0.0038678500000000 ] - [ -0.0054196700000000, 0.0029823900000000, -0.0023936700000000 ] - [ -0.0055002600000000, 0.0030326100000000, -0.0023945200000000 ] - [ -0.0054147400000000, 0.0029833500000000, -0.0023867500000000 ] - [ 0.0063962200000000, 0.0055083500000000, 0.0055447200000000 ] - [ 0.0064799400000000, 0.0055287200000000, 0.0055701000000000 ] - [ 0.0063580300000000, 0.0055139800000000, 0.0054675900000000 ] - [ 0.0064370400000000, 0.0055395600000000, 0.0055013400000000 ] - [ -0.0056494100000000, -0.0039191700000000, -0.0049705600000000 ] - [ -0.0064048700000000, -0.0054909500000000, -0.0055385800000000 ] - [ -0.0063709200000000, -0.0053937600000000, -0.0056453100000000 ] - [ -0.0064075600000000, -0.0054939700000000, -0.0055385100000000 ] - [ 0.0054012400000000, -0.0029969000000000, 0.0023946900000000 ] - [ 0.0066427500000000, -0.0032181400000000, 0.0029043400000000 ] - [ 0.0054140400000000, -0.0029921700000000, 0.0023854000000000 ] - [ 0.0054344300000000, -0.0030806700000000, 0.0022803400000000 ] - [ 0.0329825100000000, 0.0003354300000000, -0.0053236300000000 ] - [ 0.0329822600000000, 0.0000064700000000, -0.0053239600000000 ] - [ 0.0329822500000000, 0.0001693100000000, -0.0053227200000000 ] - [ 0.0329825100000000, 0.0000063500000000, -0.0053233700000000 ] - [ -0.0071593900000000, 0.0070667900000000, -0.0060979700000000 ] - [ -0.0064080000000000, 0.0054999500000000, -0.0055306900000000 ] - [ -0.0064423300000000, 0.0055979700000000, -0.0054255000000000 ] - [ -0.0064052100000000, 0.0054968200000000, -0.0055313800000000 ] - [ -0.0045382200000000, -0.0020050000000000, -0.0009371800000000 ] - [ -0.0054309600000000, -0.0029849100000000, -0.0023881100000000 ] - [ -0.0053512200000000, -0.0029345200000000, -0.0023861100000000 ] - [ -0.0054365500000000, -0.0029834100000000, -0.0023944100000000 ]- atom: 69 displacement: [ -0.0007525109693321, 0.0000000000000000, 0.0099716461650539 ] forces: - [ 0.0090410200000000, -0.0026527800000000, -0.0033795300000000 ] - [ 0.0087222700000000, -0.0021878900000000, -0.0034496900000000 ] - [ 0.0085265000000000, -0.0015288700000000, -0.0038287900000000 ] - [ 0.0087412500000000, -0.0021622400000000, -0.0034744000000000 ] - [ 0.0983240900000000, 0.0000000000000000, 0.0616448900000000 ] - [ 0.0969495100000000, 0.0000000000000000, 0.0525724600000000 ] - [ 0.0966915500000000, 0.0000000000000000, 0.0517899200000000 ] - [ 0.0969272300000000, 0.0000000000000000, 0.0525333800000000 ] - [ -0.0088438600000000, -0.0021391500000000, 0.0035257100000000 ] - [ -0.0086273700000000, -0.0021042000000000, 0.0035012100000000 ] - [ -0.0087299200000000, -0.0022889400000000, 0.0033902300000000 ] - [ -0.0088852000000000, -0.0022908200000000, 0.0033586400000000 ] - [ 0.0090410200000000, 0.0026527800000000, -0.0033795300000000 ] - [ 0.0087222700000000, 0.0021878900000000, -0.0034496900000000 ] - [ 0.0085265000000000, 0.0015288700000000, -0.0038287900000000 ] - [ 0.0087412500000000, 0.0021622400000000, -0.0034744000000000 ] - [ -0.0969408700000000, 0.0000000000000000, -0.0523049800000000 ] - [ -0.0963888600000000, 0.0000000000000000, -0.0522745700000000 ] - [ -0.0969576000000000, 0.0000000000000000, -0.0526482600000000 ] - [ -0.0965945800000000, 0.0000000000000000, -0.0529275900000000 ] - [ -0.0088438600000000, 0.0021391500000000, 0.0035257100000000 ] - [ -0.0086273700000000, 0.0021042000000000, 0.0035012100000000 ] - [ -0.0087299200000000, 0.0022889400000000, 0.0033902300000000 ] - [ -0.0088852000000000, 0.0022908200000000, 0.0033586400000000 ] - [ 0.0088513100000000, -0.0020616700000000, -0.0034770500000000 ] - [ 0.0081990700000000, -0.0019590300000000, -0.0035252500000000 ] - [ 0.0086332200000000, -0.0021352300000000, -0.0035075000000000 ] - [ 0.0090841000000000, -0.0018632100000000, -0.0034683800000000 ] - [ 0.0970053300000000, 0.0000000000000000, 0.0526155900000000 ] - [ 0.0968698700000000, 0.0000000000000000, 0.0526873900000000 ] - [ 0.0968313400000000, 0.0000000000000000, 0.0525156300000000 ] - [ 0.0970364800000000, 0.0000000000000000, 0.0524547100000000 ] - [ -0.0134880600000000, 0.0006032500000000, 0.0092118000000000 ] - [ -0.0087768600000000, -0.0021595900000000, 0.0034711600000000 ] - [ -0.0085559900000000, -0.0021544100000000, 0.0035378000000000 ] - [ -0.0087964100000000, -0.0021772700000000, 0.0034356200000000 ] - [ 0.0088513100000000, 0.0020616700000000, -0.0034770500000000 ] - [ 0.0081990700000000, 0.0019590300000000, -0.0035252500000000 ] - [ 0.0086332200000000, 0.0021352300000000, -0.0035075000000000 ] - [ 0.0090841000000000, 0.0018632100000000, -0.0034683800000000 ] - [ -0.0971785100000000, 0.0000000000000000, -0.0521007600000000 ] - [ -0.0969660800000000, 0.0000000000000000, -0.0525290000000000 ] - [ -0.0968286700000000, 0.0000000000000000, -0.0527700300000000 ] - [ -0.0970004600000000, 0.0000000000000000, -0.0525784900000000 ] - [ -0.0134880600000000, -0.0006032500000000, 0.0092118000000000 ] - [ -0.0087768600000000, 0.0021595900000000, 0.0034711600000000 ] - [ -0.0085559900000000, 0.0021544100000000, 0.0035378000000000 ] - [ -0.0087964100000000, 0.0021772700000000, 0.0034356200000000 ] - [ 0.0030450600000000, 0.0000000000000000, 0.0034535600000000 ] - [ -0.0000157500000000, 0.0000000000000000, 0.0000420600000000 ] - [ -0.0030578200000000, 0.0000000000000000, 0.0022838600000000 ] - [ 0.0000580700000000, 0.0000000000000000, -0.0000450400000000 ] - [ -0.0001396900000000, 0.0000000000000000, 0.0001119300000000 ] - [ 0.0000942200000000, 0.0000000000000000, -0.0000248500000000 ] - [ 0.0003158000000000, 0.0000000000000000, -0.0002045700000000 ] - [ -0.0000554500000000, 0.0000000000000000, 0.0000336100000000 ] - [ 0.0030434500000000, 0.0000000000000000, -0.0001814000000000 ] - [ -0.0000267200000000, 0.0000000000000000, -0.0000306600000000 ] - [ -0.0001119400000000, 0.0000000000000000, 0.0003447500000000 ] - [ 0.0000237300000000, 0.0000000000000000, 0.0000194700000000 ] - [ 0.0057328200000000, 0.0030532000000000, 0.0020612100000000 ] - [ 0.0054271600000000, 0.0029832000000000, 0.0023720400000000 ] - [ 0.0052967200000000, 0.0030498600000000, 0.0025091500000000 ] - [ 0.0054433000000000, 0.0029825100000000, 0.0024110700000000 ] - [ 0.0063210700000000, -0.0050975100000000, 0.0059484900000000 ] - [ 0.0064257200000000, -0.0054973000000000, 0.0055404700000000 ] - [ 0.0065198600000000, -0.0073486500000000, 0.0086983300000000 ] - [ 0.0064065000000000, -0.0054965700000000, 0.0055355500000000 ] - [ -0.0291727400000000, 0.0000000000000000, -0.0267372500000000 ] - [ -0.0329840300000000, 0.0000000000000000, 0.0053117700000000 ] - [ -0.0330403200000000, 0.0000000000000000, 0.0054602400000000 ] - [ -0.0329575000000000, 0.0000000000000000, 0.0053293400000000 ] - [ -0.0054360600000000, 0.0030520400000000, -0.0024386000000000 ] - [ -0.0053998200000000, 0.0030069200000000, -0.0024717300000000 ] - [ -0.0053528000000000, 0.0029751700000000, -0.0023294200000000 ] - [ -0.0054670500000000, 0.0029884500000000, -0.0023505200000000 ] - [ 0.0063210700000000, 0.0050975100000000, 0.0059484900000000 ] - [ 0.0064257200000000, 0.0054973000000000, 0.0055404700000000 ] - [ 0.0065198600000000, 0.0073486500000000, 0.0086983300000000 ] - [ 0.0064065000000000, 0.0054965700000000, 0.0055355500000000 ] - [ -0.0063386300000000, -0.0054690800000000, -0.0055533500000000 ] - [ -0.0064386200000000, -0.0054863000000000, -0.0054997600000000 ] - [ -0.0064301900000000, -0.0054724400000000, -0.0055136700000000 ] - [ -0.0063646600000000, -0.0053999000000000, -0.0055758300000000 ] - [ 0.0057328200000000, -0.0030532000000000, 0.0020612100000000 ] - [ 0.0054271600000000, -0.0029832000000000, 0.0023720400000000 ] - [ 0.0052967200000000, -0.0030498600000000, 0.0025091500000000 ] - [ 0.0054433000000000, -0.0029825100000000, 0.0024110700000000 ] - [ 0.0327710400000000, 0.0000000000000000, -0.0052923500000000 ] - [ 0.0332564500000000, 0.0000000000000000, -0.0055436600000000 ] - [ 0.0330310100000000, 0.0000000000000000, -0.0052956900000000 ] - [ 0.0329393100000000, 0.0000000000000000, -0.0049695500000000 ] - [ -0.0063386300000000, 0.0054690800000000, -0.0055533500000000 ] - [ -0.0064386200000000, 0.0054863000000000, -0.0054997600000000 ] - [ -0.0064301900000000, 0.0054724400000000, -0.0055136700000000 ] - [ -0.0063646600000000, 0.0053999000000000, -0.0055758300000000 ] - [ -0.0054360600000000, -0.0030520400000000, -0.0024386000000000 ] - [ -0.0053998200000000, -0.0030069200000000, -0.0024717300000000 ] - [ -0.0053528000000000, -0.0029751700000000, -0.0023294200000000 ] - [ -0.0054670500000000, -0.0029884500000000, -0.0023505200000000 ] - [ 0.0000464100000000, 0.0000000000000000, -0.0001148700000000 ] - [ 0.0000106500000000, 0.0000000000000000, -0.0000287500000000 ] - [ 0.0000250500000000, 0.0000000000000000, 0.0000882700000000 ] - [ 0.0000058700000000, 0.0000000000000000, 0.0000246400000000 ] - [ 0.0054544600000000, 0.0029645000000000, 0.0023571400000000 ] - [ 0.0046699700000000, 0.0028001300000000, 0.0017629100000000 ] - [ 0.0054377300000000, 0.0029703500000000, 0.0024126000000000 ] - [ 0.0054332300000000, 0.0028273400000000, 0.0024847800000000 ] - [ 0.0064144800000000, -0.0055259100000000, 0.0055488700000000 ] - [ 0.0064930600000000, -0.0056127600000000, 0.0056425800000000 ] - [ 0.0064385600000000, -0.0055056700000000, 0.0055429400000000 ] - [ 0.0063636400000000, -0.0054831200000000, 0.0055167600000000 ] - [ -0.0329698700000000, 0.0000000000000000, 0.0052907300000000 ] - [ -0.0330054900000000, 0.0000000000000000, 0.0052889600000000 ] - [ -0.0329634400000000, 0.0000000000000000, 0.0053684000000000 ] - [ -0.0329708600000000, 0.0000000000000000, 0.0053683800000000 ] - [ -0.0048968400000000, 0.0020880000000000, -0.0023989800000000 ] - [ -0.0054209000000000, 0.0029828300000000, -0.0024032600000000 ] - [ -0.0055431200000000, 0.0029748400000000, -0.0022312900000000 ] - [ -0.0054056800000000, 0.0029863600000000, -0.0023806900000000 ] - [ 0.0064144800000000, 0.0055259100000000, 0.0055488700000000 ] - [ 0.0064930600000000, 0.0056127600000000, 0.0056425800000000 ] - [ 0.0064385600000000, 0.0055056700000000, 0.0055429400000000 ] - [ 0.0063636400000000, 0.0054831200000000, 0.0055167600000000 ] - [ -0.0059828400000000, -0.0047663200000000, -0.0052819500000000 ] - [ -0.0063967200000000, -0.0054934400000000, -0.0055339200000000 ] - [ -0.0065115900000000, -0.0056773400000000, -0.0055574700000000 ] - [ -0.0063949700000000, -0.0054915500000000, -0.0055316200000000 ] - [ 0.0054544600000000, -0.0029645000000000, 0.0023571400000000 ] - [ 0.0046699700000000, -0.0028001300000000, 0.0017629100000000 ] - [ 0.0054377300000000, -0.0029703500000000, 0.0024126000000000 ] - [ 0.0054332300000000, -0.0028273400000000, 0.0024847800000000 ] - [ 0.0329190800000000, 0.0000000000000000, -0.0053767200000000 ] - [ 0.0329897100000000, 0.0000000000000000, -0.0053326500000000 ] - [ 0.0329381300000000, 0.0000000000000000, -0.0052385800000000 ] - [ 0.0329930400000000, 0.0000000000000000, -0.0053125400000000 ] - [ -0.0059828400000000, 0.0047663200000000, -0.0052819500000000 ] - [ -0.0063967200000000, 0.0054934400000000, -0.0055339200000000 ] - [ -0.0065115900000000, 0.0056773400000000, -0.0055574700000000 ] - [ -0.0063949700000000, 0.0054915500000000, -0.0055316200000000 ] - [ -0.0048968400000000, -0.0020880000000000, -0.0023989800000000 ] - [ -0.0054209000000000, -0.0029828300000000, -0.0024032600000000 ] - [ -0.0055431200000000, -0.0029748400000000, -0.0022312900000000 ] - [ -0.0054056800000000, -0.0029863600000000, -0.0023806900000000 ]- atom: 69 displacement: [ 0.0007525109693321, 0.0000000000000000, -0.0099716461650539 ] forces: - [ 0.0084677900000000, -0.0016893600000000, -0.0035372500000000 ] - [ 0.0087878200000000, -0.0021569300000000, -0.0034603600000000 ] - [ 0.0089824500000000, -0.0028162600000000, -0.0030777700000000 ] - [ 0.0087693700000000, -0.0021853700000000, -0.0034370900000000 ] - [ 0.0954012700000000, 0.0000000000000000, 0.0428336700000000 ] - [ 0.0969787800000000, 0.0000000000000000, 0.0525442200000000 ] - [ 0.0972327300000000, 0.0000000000000000, 0.0533463800000000 ] - [ 0.0970012000000000, 0.0000000000000000, 0.0525826500000000 ] - [ -0.0086619900000000, -0.0022102800000000, 0.0033857300000000 ] - [ -0.0088825300000000, -0.0022441100000000, 0.0034096000000000 ] - [ -0.0087807000000000, -0.0020559200000000, 0.0035209000000000 ] - [ -0.0086219500000000, -0.0020522500000000, 0.0035523200000000 ] - [ 0.0084677900000000, 0.0016893600000000, -0.0035372500000000 ] - [ 0.0087878200000000, 0.0021569300000000, -0.0034603600000000 ] - [ 0.0089824500000000, 0.0028162600000000, -0.0030777700000000 ] - [ 0.0087693700000000, 0.0021853700000000, -0.0034370900000000 ] - [ -0.0969819300000000, 0.0000000000000000, -0.0528123600000000 ] - [ -0.0975485700000000, 0.0000000000000000, -0.0528398700000000 ] - [ -0.0969711500000000, 0.0000000000000000, -0.0524681400000000 ] - [ -0.0973470600000000, 0.0000000000000000, -0.0521901900000000 ] - [ -0.0086619900000000, 0.0022102800000000, 0.0033857300000000 ] - [ -0.0088825300000000, 0.0022441100000000, 0.0034096000000000 ] - [ -0.0087807000000000, 0.0020559200000000, 0.0035209000000000 ] - [ -0.0086219500000000, 0.0020522500000000, 0.0035523200000000 ] - [ 0.0086569100000000, -0.0022817400000000, -0.0034326600000000 ] - [ 0.0093097900000000, -0.0023841600000000, -0.0033916700000000 ] - [ 0.0088784600000000, -0.0022114200000000, -0.0034022300000000 ] - [ 0.0084269600000000, -0.0024812500000000, -0.0034415000000000 ] - [ 0.0969240300000000, 0.0000000000000000, 0.0525006500000000 ] - [ 0.0970575500000000, 0.0000000000000000, 0.0524278900000000 ] - [ 0.0970969300000000, 0.0000000000000000, 0.0526029900000000 ] - [ 0.0968906800000000, 0.0000000000000000, 0.0526614100000000 ] - [ -0.0041262900000000, -0.0048487900000000, -0.0022679400000000 ] - [ -0.0087323000000000, -0.0021862500000000, 0.0034403100000000 ] - [ -0.0089575100000000, -0.0021912800000000, 0.0033715100000000 ] - [ -0.0087107200000000, -0.0021654200000000, 0.0034738900000000 ] - [ 0.0086569100000000, 0.0022817400000000, -0.0034326600000000 ] - [ 0.0093097900000000, 0.0023841600000000, -0.0033916700000000 ] - [ 0.0088784600000000, 0.0022114200000000, -0.0034022300000000 ] - [ 0.0084269600000000, 0.0024812500000000, -0.0034415000000000 ] - [ -0.0967499000000000, 0.0000000000000000, -0.0530173600000000 ] - [ -0.0969606400000000, 0.0000000000000000, -0.0525870000000000 ] - [ -0.0971015700000000, 0.0000000000000000, -0.0523465200000000 ] - [ -0.0969256100000000, 0.0000000000000000, -0.0525371600000000 ] - [ -0.0041262900000000, 0.0048487900000000, -0.0022679400000000 ] - [ -0.0087323000000000, 0.0021862500000000, 0.0034403100000000 ] - [ -0.0089575100000000, 0.0021912800000000, 0.0033715100000000 ] - [ -0.0087107200000000, 0.0021654200000000, 0.0034738900000000 ] - [ -0.0030840300000000, 0.0000000000000000, -0.0034833800000000 ] - [ 0.0000156000000000, 0.0000000000000000, -0.0000417100000000 ] - [ 0.0030336700000000, 0.0000000000000000, -0.0022746300000000 ] - [ -0.0000598600000000, 0.0000000000000000, 0.0000445800000000 ] - [ 0.0001407500000000, 0.0000000000000000, -0.0001104000000000 ] - [ -0.0000956500000000, 0.0000000000000000, 0.0000250300000000 ] - [ -0.0003163300000000, 0.0000000000000000, 0.0002004500000000 ] - [ 0.0000554300000000, 0.0000000000000000, -0.0000339500000000 ] - [ -0.0030104900000000, 0.0000000000000000, 0.0002004600000000 ] - [ 0.0000266300000000, 0.0000000000000000, 0.0000334600000000 ] - [ 0.0001142300000000, 0.0000000000000000, -0.0003461400000000 ] - [ -0.0000239800000000, 0.0000000000000000, -0.0000222300000000 ] - [ 0.0051164200000000, 0.0029249400000000, 0.0027256500000000 ] - [ 0.0054220300000000, 0.0029843800000000, 0.0024127200000000 ] - [ 0.0055549200000000, 0.0029160900000000, 0.0022741600000000 ] - [ 0.0054056300000000, 0.0029850400000000, 0.0023738200000000 ] - [ 0.0064940600000000, -0.0058981200000000, 0.0051186000000000 ] - [ 0.0063861800000000, -0.0054918200000000, 0.0055279800000000 ] - [ 0.0062926100000000, -0.0036920300000000, 0.0024323200000000 ] - [ 0.0064055200000000, -0.0054927000000000, 0.0055322500000000 ] - [ -0.0363250500000000, 0.0000000000000000, 0.0378592200000000 ] - [ -0.0329826400000000, 0.0000000000000000, 0.0053359400000000 ] - [ -0.0329255700000000, 0.0000000000000000, 0.0051864300000000 ] - [ -0.0330095000000000, 0.0000000000000000, 0.0053189900000000 ] - [ -0.0054137700000000, 0.0029147700000000, -0.0023448100000000 ] - [ -0.0054512300000000, 0.0029600200000000, -0.0023125700000000 ] - [ -0.0054960700000000, 0.0029920100000000, -0.0024555000000000 ] - [ -0.0053828700000000, 0.0029786200000000, -0.0024341600000000 ] - [ 0.0064940600000000, 0.0058981200000000, 0.0051186000000000 ] - [ 0.0063861800000000, 0.0054918200000000, 0.0055279800000000 ] - [ 0.0062926100000000, 0.0036920300000000, 0.0024323200000000 ] - [ 0.0064055200000000, 0.0054927000000000, 0.0055322500000000 ] - [ -0.0064752600000000, -0.0055201500000000, -0.0055158500000000 ] - [ -0.0063733500000000, -0.0055018400000000, -0.0055698900000000 ] - [ -0.0063817200000000, -0.0055173200000000, -0.0055549100000000 ] - [ -0.0064481800000000, -0.0055911500000000, -0.0054921000000000 ] - [ 0.0051164200000000, -0.0029249400000000, 0.0027256500000000 ] - [ 0.0054220300000000, -0.0029843800000000, 0.0024127200000000 ] - [ 0.0055549200000000, -0.0029160900000000, 0.0022741600000000 ] - [ 0.0054056300000000, -0.0029850400000000, 0.0023738200000000 ] - [ 0.0331959300000000, 0.0000000000000000, -0.0053548400000000 ] - [ 0.0327149900000000, 0.0000000000000000, -0.0051005600000000 ] - [ 0.0329352700000000, 0.0000000000000000, -0.0053527100000000 ] - [ 0.0330276500000000, 0.0000000000000000, -0.0056880700000000 ] - [ -0.0064752600000000, 0.0055201500000000, -0.0055158500000000 ] - [ -0.0063733500000000, 0.0055018400000000, -0.0055698900000000 ] - [ -0.0063817200000000, 0.0055173200000000, -0.0055549100000000 ] - [ -0.0064481800000000, 0.0055911500000000, -0.0054921000000000 ] - [ -0.0054137700000000, -0.0029147700000000, -0.0023448100000000 ] - [ -0.0054512300000000, -0.0029600200000000, -0.0023125700000000 ] - [ -0.0054960700000000, -0.0029920100000000, -0.0024555000000000 ] - [ -0.0053828700000000, -0.0029786200000000, -0.0024341600000000 ] - [ -0.0000473700000000, 0.0000000000000000, 0.0001192800000000 ] - [ -0.0000106400000000, 0.0000000000000000, 0.0000315500000000 ] - [ -0.0000244600000000, 0.0000000000000000, -0.0000910500000000 ] - [ -0.0000067000000000, 0.0000000000000000, -0.0000272300000000 ] - [ 0.0053947400000000, 0.0030022500000000, 0.0024266800000000 ] - [ 0.0061778900000000, 0.0031657900000000, 0.0030167900000000 ] - [ 0.0054120600000000, 0.0029970600000000, 0.0023710500000000 ] - [ 0.0054164100000000, 0.0031414200000000, 0.0022975900000000 ] - [ 0.0063978400000000, -0.0054641900000000, 0.0055202200000000 ] - [ 0.0063190600000000, -0.0053765800000000, 0.0054254400000000 ] - [ 0.0063731800000000, -0.0054845700000000, 0.0055246900000000 ] - [ 0.0064488000000000, -0.0055065300000000, 0.0055513000000000 ] - [ -0.0329972800000000, 0.0000000000000000, 0.0053580600000000 ] - [ -0.0329607200000000, 0.0000000000000000, 0.0053613900000000 ] - [ -0.0330026600000000, 0.0000000000000000, 0.0052798600000000 ] - [ -0.0329954000000000, 0.0000000000000000, 0.0052813000000000 ] - [ -0.0059575500000000, 0.0038858500000000, -0.0023859400000000 ] - [ -0.0054293700000000, 0.0029840800000000, -0.0023805600000000 ] - [ -0.0053060500000000, 0.0029930800000000, -0.0025543100000000 ] - [ -0.0054451000000000, 0.0029801000000000, -0.0024027400000000 ] - [ 0.0063978400000000, 0.0054641900000000, 0.0055202200000000 ] - [ 0.0063190600000000, 0.0053765800000000, 0.0054254400000000 ] - [ 0.0063731800000000, 0.0054845700000000, 0.0055246900000000 ] - [ 0.0064488000000000, 0.0055065300000000, 0.0055513000000000 ] - [ -0.0068302100000000, -0.0062324200000000, -0.0057887500000000 ] - [ -0.0064160800000000, -0.0054969700000000, -0.0055345500000000 ] - [ -0.0062998500000000, -0.0053106500000000, -0.0055101800000000 ] - [ -0.0064177300000000, -0.0054988200000000, -0.0055376900000000 ] - [ 0.0053947400000000, -0.0030022500000000, 0.0024266800000000 ] - [ 0.0061778900000000, -0.0031657900000000, 0.0030167900000000 ] - [ 0.0054120600000000, -0.0029970600000000, 0.0023710500000000 ] - [ 0.0054164100000000, -0.0031414200000000, 0.0022975900000000 ] - [ 0.0330477800000000, 0.0000000000000000, -0.0052705800000000 ] - [ 0.0329757000000000, 0.0000000000000000, -0.0053170600000000 ] - [ 0.0330277600000000, 0.0000000000000000, -0.0054108300000000 ] - [ 0.0329731200000000, 0.0000000000000000, -0.0053369600000000 ] - [ -0.0068302100000000, 0.0062324200000000, -0.0057887500000000 ] - [ -0.0064160800000000, 0.0054969700000000, -0.0055345500000000 ] - [ -0.0062998500000000, 0.0053106500000000, -0.0055101800000000 ] - [ -0.0064177300000000, 0.0054988200000000, -0.0055376900000000 ] - [ -0.0059575500000000, -0.0038858500000000, -0.0023859400000000 ] - [ -0.0054293700000000, -0.0029840800000000, -0.0023805600000000 ] - [ -0.0053060500000000, -0.0029930800000000, -0.0025543100000000 ] - [ -0.0054451000000000, -0.0029801000000000, -0.0024027400000000 ]