# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b1722f62-dead-4799-8972-4cf6548e720c/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 Li2Mg3Ti6O16 / P2_1 (4) / materials id 772783](https://mdr.nims.go.jp/datasets/1b7f2c5f-c23c-4fbc-afd2-9c4337b51f13) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1" number: 4 Hall_symbol: "P 2yb"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.383846500000001, 0.000000000000000, -0.001611320000000 ] # a - [ 0.000000000000000, 8.391696230000001, 0.000000000000000 ] # b - [ -0.055312390000000, 0.000000000000000, 8.368648130000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.254265750000000, 0.494031370000000, 0.998152060000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.373788060000000, 0.624678440000000, 0.374540470000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.626211940000000, 0.124678440000000, 0.625459530000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.745734250000000, 0.994031370000000, 0.001847940000000 ] mass: 6.941000 - symbol: Mg # 5 coordinates: [ 0.752391190000000, 0.501045500000000, 0.504245560000000 ] mass: 24.305000 - symbol: Mg # 6 coordinates: [ 0.998146050000000, 0.755514780000000, 0.253262510000000 ] mass: 24.305000 - symbol: Mg # 7 coordinates: [ 0.001853950000000, 0.255514780000000, 0.746737490000000 ] mass: 24.305000 - symbol: Mg # 8 coordinates: [ 0.247608810000000, 0.001045500000000, 0.495754440000000 ] mass: 24.305000 - symbol: Mg # 9 coordinates: [ 0.494237670000000, 0.248699840000000, 0.246877790000000 ] mass: 24.305000 - symbol: Mg # 10 coordinates: [ 0.505762330000000, 0.748699840000000, 0.753122210000000 ] mass: 24.305000 - symbol: Ti # 11 coordinates: [ 0.869584320000000, 0.132722150000000, 0.366059570000000 ] mass: 47.867000 - symbol: Ti # 12 coordinates: [ 0.876567580000000, 0.883674480000000, 0.639068070000000 ] mass: 47.867000 - symbol: Ti # 13 coordinates: [ 0.886369350000000, 0.626436640000000, 0.886421330000000 ] mass: 47.867000 - symbol: Ti # 14 coordinates: [ 0.113630650000000, 0.126436640000000, 0.113578670000000 ] mass: 47.867000 - symbol: Ti # 15 coordinates: [ 0.123432420000000, 0.383674480000000, 0.360931930000000 ] mass: 47.867000 - symbol: Ti # 16 coordinates: [ 0.130415680000000, 0.632722150000000, 0.633940430000000 ] mass: 47.867000 - symbol: Ti # 17 coordinates: [ 0.366512930000000, 0.863469880000000, 0.117843050000000 ] mass: 47.867000 - symbol: Ti # 18 coordinates: [ 0.374800290000000, 0.119763770000000, 0.871567090000000 ] mass: 47.867000 - symbol: Ti # 19 coordinates: [ 0.380032470000000, 0.375701010000000, 0.624175150000000 ] mass: 47.867000 - symbol: Ti # 20 coordinates: [ 0.619967530000000, 0.875701010000000, 0.375824850000000 ] mass: 47.867000 - symbol: Ti # 21 coordinates: [ 0.625199710000000, 0.619763770000000, 0.128432910000000 ] mass: 47.867000 - symbol: Ti # 22 coordinates: [ 0.633487070000000, 0.363469880000000, 0.882156950000000 ] mass: 47.867000 - symbol: O # 23 coordinates: [ 0.851824310000000, 0.394555150000000, 0.857216640000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.859729030000000, 0.889772200000000, 0.387196400000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.857213500000000, 0.638882070000000, 0.106730430000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.860191140000000, 0.854382800000000, 0.853585680000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.879251570000000, 0.105572960000000, 0.611054500000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.891985860000000, 0.353787080000000, 0.389292960000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.888999450000000, 0.638905080000000, 0.635588220000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.895457180000000, 0.110932750000000, 0.142696010000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.104542820000000, 0.610932750000000, 0.857303990000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.111000550000000, 0.138905080000000, 0.364411780000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.108014140000000, 0.853787080000000, 0.610707040000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.120748430000000, 0.605572960000000, 0.388945500000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.139808860000000, 0.354382800000000, 0.146414320000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.142786500000000, 0.138882070000000, 0.893269570000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.140270970000000, 0.389772200000000, 0.612803600000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.148175690000000, 0.894555150000000, 0.142783360000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.357613780000000, 0.612095870000000, 0.627709050000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.363221790000000, 0.111058790000000, 0.109949090000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.360118300000000, 0.371075240000000, 0.395854520000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.370482260000000, 0.138861850000000, 0.642796710000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.388014060000000, 0.895678140000000, 0.890308310000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.390639910000000, 0.644627420000000, 0.122070710000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.389891140000000, 0.360444150000000, 0.858912440000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.395548190000000, 0.878632600000000, 0.361804830000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.604451810000000, 0.378632600000000, 0.638195170000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.610108860000000, 0.860444150000000, 0.141087560000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.609360090000000, 0.144627420000000, 0.877929290000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.611985940000000, 0.395678140000000, 0.109691690000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.629517740000000, 0.638861850000000, 0.357203290000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.639881700000000, 0.871075240000000, 0.604145480000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.636778210000000, 0.611058790000000, 0.890050910000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.642386220000000, 0.112095870000000, 0.372290950000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.119277144482495, 0.000000000000000, 0.000788359581048 ] # a* - [ 0.000000000000000, 0.119165419313563, 0.000000000000000 ] # b* - [ 0.000022965913426, 0.000000000000000, 0.119493764675653 ] # c*unit_cell: lattice: - [ 8.383846500000001, 0.000000000000000, -0.001611320000000 ] # a - [ 0.000000000000000, 8.391696230000001, 0.000000000000000 ] # b - [ -0.055312390000000, 0.000000000000000, 8.368648130000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.254265750000000, 0.494031370000000, 0.998152060000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.373788060000000, 0.624678440000000, 0.374540470000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.626211940000000, 0.124678440000000, 0.625459530000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.745734250000000, 0.994031370000000, 0.001847940000000 ] mass: 6.941000 reduced_to: 4 - symbol: Mg # 5 coordinates: [ 0.752391190000000, 0.501045500000000, 0.504245560000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 6 coordinates: [ 0.998146050000000, 0.755514780000000, 0.253262510000000 ] mass: 24.305000 reduced_to: 6 - symbol: Mg # 7 coordinates: [ 0.001853950000000, 0.255514780000000, 0.746737490000000 ] mass: 24.305000 reduced_to: 7 - symbol: Mg # 8 coordinates: [ 0.247608810000000, 0.001045500000000, 0.495754440000000 ] mass: 24.305000 reduced_to: 8 - symbol: Mg # 9 coordinates: [ 0.494237670000000, 0.248699840000000, 0.246877790000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 10 coordinates: [ 0.505762330000000, 0.748699840000000, 0.753122210000000 ] mass: 24.305000 reduced_to: 10 - symbol: Ti # 11 coordinates: [ 0.869584320000000, 0.132722150000000, 0.366059570000000 ] mass: 47.867000 reduced_to: 11 - symbol: Ti # 12 coordinates: [ 0.876567580000000, 0.883674480000000, 0.639068070000000 ] mass: 47.867000 reduced_to: 12 - symbol: Ti # 13 coordinates: [ 0.886369350000000, 0.626436640000000, 0.886421330000000 ] mass: 47.867000 reduced_to: 13 - symbol: Ti # 14 coordinates: [ 0.113630650000000, 0.126436640000000, 0.113578670000000 ] mass: 47.867000 reduced_to: 14 - symbol: Ti # 15 coordinates: [ 0.123432420000000, 0.383674480000000, 0.360931930000000 ] mass: 47.867000 reduced_to: 15 - symbol: Ti # 16 coordinates: [ 0.130415680000000, 0.632722150000000, 0.633940430000000 ] mass: 47.867000 reduced_to: 16 - symbol: Ti # 17 coordinates: [ 0.366512930000000, 0.863469880000000, 0.117843050000000 ] mass: 47.867000 reduced_to: 17 - symbol: Ti # 18 coordinates: [ 0.374800290000000, 0.119763770000000, 0.871567090000000 ] mass: 47.867000 reduced_to: 18 - symbol: Ti # 19 coordinates: [ 0.380032470000000, 0.375701010000000, 0.624175150000000 ] mass: 47.867000 reduced_to: 19 - symbol: Ti # 20 coordinates: [ 0.619967530000000, 0.875701010000000, 0.375824850000000 ] mass: 47.867000 reduced_to: 20 - symbol: Ti # 21 coordinates: [ 0.625199710000000, 0.619763770000000, 0.128432910000000 ] mass: 47.867000 reduced_to: 21 - symbol: Ti # 22 coordinates: [ 0.633487070000000, 0.363469880000000, 0.882156950000000 ] mass: 47.867000 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.851824310000000, 0.394555150000000, 0.857216640000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.859729030000000, 0.889772200000000, 0.387196400000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.857213500000000, 0.638882070000000, 0.106730430000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.860191140000000, 0.854382800000000, 0.853585680000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.879251570000000, 0.105572960000000, 0.611054500000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.891985860000000, 0.353787080000000, 0.389292960000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.888999450000000, 0.638905080000000, 0.635588220000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.895457180000000, 0.110932750000000, 0.142696010000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.104542820000000, 0.610932750000000, 0.857303990000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.111000550000000, 0.138905080000000, 0.364411780000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.108014140000000, 0.853787080000000, 0.610707040000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.120748430000000, 0.605572960000000, 0.388945500000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.139808860000000, 0.354382800000000, 0.146414320000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.142786500000000, 0.138882070000000, 0.893269570000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.140270970000000, 0.389772200000000, 0.612803600000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.148175690000000, 0.894555150000000, 0.142783360000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.357613780000000, 0.612095870000000, 0.627709050000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.363221790000000, 0.111058790000000, 0.109949090000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.360118300000000, 0.371075240000000, 0.395854520000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.370482260000000, 0.138861850000000, 0.642796710000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.388014060000000, 0.895678140000000, 0.890308310000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.390639910000000, 0.644627420000000, 0.122070710000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.389891140000000, 0.360444150000000, 0.858912440000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.395548190000000, 0.878632600000000, 0.361804830000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.604451810000000, 0.378632600000000, 0.638195170000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.610108860000000, 0.860444150000000, 0.141087560000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.609360090000000, 0.144627420000000, 0.877929290000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.611985940000000, 0.395678140000000, 0.109691690000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.629517740000000, 0.638861850000000, 0.357203290000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.639881700000000, 0.871075240000000, 0.604145480000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.636778210000000, 0.611058790000000, 0.890050910000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.642386220000000, 0.112095870000000, 0.372290950000000 ] mass: 15.999400 reduced_to: 54supercell: lattice: - [ 16.767693000000001, 0.000000000000000, -0.003222640000000 ] # a - [ 0.000000000000000, 8.391696230000001, 0.000000000000000 ] # b - [ -0.055312390000000, 0.000000000000000, 8.368648130000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.127132875000000, 0.494031370000000, 0.998152060000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.627132875000000, 0.494031370000000, 0.998152060000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.186894030000000, 0.624678440000000, 0.374540470000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.686894030000000, 0.624678440000000, 0.374540470000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 5 coordinates: [ 0.313105970000000, 0.124678440000000, 0.625459530000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.813105970000000, 0.124678440000000, 0.625459530000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 7 coordinates: [ 0.372867125000000, 0.994031370000000, 0.001847940000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.872867125000000, 0.994031370000000, 0.001847940000000 ] mass: 6.941000 reduced_to: 7 - symbol: Mg # 9 coordinates: [ 0.376195595000000, 0.501045500000000, 0.504245560000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 10 coordinates: [ 0.876195595000000, 0.501045500000000, 0.504245560000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 11 coordinates: [ 0.499073025000000, 0.755514780000000, 0.253262510000000 ] mass: 24.305000 reduced_to: 11 - symbol: Mg # 12 coordinates: [ 0.999073025000000, 0.755514780000000, 0.253262510000000 ] mass: 24.305000 reduced_to: 11 - symbol: Mg # 13 coordinates: [ 0.000926975000000, 0.255514780000000, 0.746737490000000 ] mass: 24.305000 reduced_to: 13 - symbol: Mg # 14 coordinates: [ 0.500926975000000, 0.255514780000000, 0.746737490000000 ] mass: 24.305000 reduced_to: 13 - symbol: Mg # 15 coordinates: [ 0.123804405000000, 0.001045500000000, 0.495754440000000 ] mass: 24.305000 reduced_to: 15 - symbol: Mg # 16 coordinates: [ 0.623804405000000, 0.001045500000000, 0.495754440000000 ] mass: 24.305000 reduced_to: 15 - symbol: Mg # 17 coordinates: [ 0.247118835000000, 0.248699840000000, 0.246877790000000 ] mass: 24.305000 reduced_to: 17 - symbol: Mg # 18 coordinates: [ 0.747118835000000, 0.248699840000000, 0.246877790000000 ] mass: 24.305000 reduced_to: 17 - symbol: Mg # 19 coordinates: [ 0.252881165000000, 0.748699840000000, 0.753122210000000 ] mass: 24.305000 reduced_to: 19 - symbol: Mg # 20 coordinates: [ 0.752881165000000, 0.748699840000000, 0.753122210000000 ] mass: 24.305000 reduced_to: 19 - symbol: Ti # 21 coordinates: [ 0.434792160000000, 0.132722150000000, 0.366059570000000 ] mass: 47.867000 reduced_to: 21 - symbol: Ti # 22 coordinates: [ 0.934792160000000, 0.132722150000000, 0.366059570000000 ] mass: 47.867000 reduced_to: 21 - symbol: Ti # 23 coordinates: [ 0.438283790000000, 0.883674480000000, 0.639068070000000 ] mass: 47.867000 reduced_to: 23 - symbol: Ti # 24 coordinates: [ 0.938283790000000, 0.883674480000000, 0.639068070000000 ] mass: 47.867000 reduced_to: 23 - symbol: Ti # 25 coordinates: [ 0.443184675000000, 0.626436640000000, 0.886421330000000 ] mass: 47.867000 reduced_to: 25 - symbol: Ti # 26 coordinates: [ 0.943184675000000, 0.626436640000000, 0.886421330000000 ] mass: 47.867000 reduced_to: 25 - symbol: Ti # 27 coordinates: [ 0.056815325000000, 0.126436640000000, 0.113578670000000 ] mass: 47.867000 reduced_to: 27 - symbol: Ti # 28 coordinates: [ 0.556815325000000, 0.126436640000000, 0.113578670000000 ] mass: 47.867000 reduced_to: 27 - symbol: Ti # 29 coordinates: [ 0.061716210000000, 0.383674480000000, 0.360931930000000 ] mass: 47.867000 reduced_to: 29 - symbol: Ti # 30 coordinates: [ 0.561716210000000, 0.383674480000000, 0.360931930000000 ] mass: 47.867000 reduced_to: 29 - symbol: Ti # 31 coordinates: [ 0.065207840000000, 0.632722150000000, 0.633940430000000 ] mass: 47.867000 reduced_to: 31 - symbol: Ti # 32 coordinates: [ 0.565207840000000, 0.632722150000000, 0.633940430000000 ] mass: 47.867000 reduced_to: 31 - symbol: Ti # 33 coordinates: [ 0.183256465000000, 0.863469880000000, 0.117843050000000 ] mass: 47.867000 reduced_to: 33 - symbol: Ti # 34 coordinates: [ 0.683256465000000, 0.863469880000000, 0.117843050000000 ] mass: 47.867000 reduced_to: 33 - symbol: Ti # 35 coordinates: [ 0.187400145000000, 0.119763770000000, 0.871567090000000 ] mass: 47.867000 reduced_to: 35 - symbol: Ti # 36 coordinates: [ 0.687400145000000, 0.119763770000000, 0.871567090000000 ] mass: 47.867000 reduced_to: 35 - symbol: Ti # 37 coordinates: [ 0.190016235000000, 0.375701010000000, 0.624175150000000 ] mass: 47.867000 reduced_to: 37 - symbol: Ti # 38 coordinates: [ 0.690016235000000, 0.375701010000000, 0.624175150000000 ] mass: 47.867000 reduced_to: 37 - symbol: Ti # 39 coordinates: [ 0.309983765000000, 0.875701010000000, 0.375824850000000 ] mass: 47.867000 reduced_to: 39 - symbol: Ti # 40 coordinates: [ 0.809983765000000, 0.875701010000000, 0.375824850000000 ] mass: 47.867000 reduced_to: 39 - symbol: Ti # 41 coordinates: [ 0.312599855000000, 0.619763770000000, 0.128432910000000 ] mass: 47.867000 reduced_to: 41 - symbol: Ti # 42 coordinates: [ 0.812599855000000, 0.619763770000000, 0.128432910000000 ] mass: 47.867000 reduced_to: 41 - symbol: Ti # 43 coordinates: [ 0.316743535000000, 0.363469880000000, 0.882156950000000 ] mass: 47.867000 reduced_to: 43 - symbol: Ti # 44 coordinates: [ 0.816743535000000, 0.363469880000000, 0.882156950000000 ] mass: 47.867000 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.425912155000000, 0.394555150000000, 0.857216640000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.925912155000000, 0.394555150000000, 0.857216640000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.429864515000000, 0.889772200000000, 0.387196400000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.929864515000000, 0.889772200000000, 0.387196400000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.428606750000000, 0.638882070000000, 0.106730430000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.928606750000000, 0.638882070000000, 0.106730430000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.430095570000000, 0.854382800000000, 0.853585680000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.930095570000000, 0.854382800000000, 0.853585680000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.439625785000000, 0.105572960000000, 0.611054500000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.939625785000000, 0.105572960000000, 0.611054500000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.445992930000000, 0.353787080000000, 0.389292960000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.945992930000000, 0.353787080000000, 0.389292960000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.444499725000000, 0.638905080000000, 0.635588220000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.944499725000000, 0.638905080000000, 0.635588220000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.447728590000000, 0.110932750000000, 0.142696010000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.947728590000000, 0.110932750000000, 0.142696010000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.052271410000000, 0.610932750000000, 0.857303990000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.552271410000000, 0.610932750000000, 0.857303990000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.055500275000000, 0.138905080000000, 0.364411780000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.555500275000000, 0.138905080000000, 0.364411780000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.054007070000000, 0.853787080000000, 0.610707040000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.554007070000000, 0.853787080000000, 0.610707040000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.060374215000000, 0.605572960000000, 0.388945500000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.560374215000000, 0.605572960000000, 0.388945500000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.069904430000000, 0.354382800000000, 0.146414320000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.569904430000000, 0.354382800000000, 0.146414320000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.071393250000000, 0.138882070000000, 0.893269570000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.571393250000000, 0.138882070000000, 0.893269570000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.070135485000000, 0.389772200000000, 0.612803600000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.570135485000000, 0.389772200000000, 0.612803600000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.074087845000000, 0.894555150000000, 0.142783360000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.574087845000000, 0.894555150000000, 0.142783360000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.178806890000000, 0.612095870000000, 0.627709050000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.678806890000000, 0.612095870000000, 0.627709050000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.181610895000000, 0.111058790000000, 0.109949090000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.681610895000000, 0.111058790000000, 0.109949090000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.180059150000000, 0.371075240000000, 0.395854520000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.680059150000000, 0.371075240000000, 0.395854520000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.185241130000000, 0.138861850000000, 0.642796710000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.685241130000000, 0.138861850000000, 0.642796710000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.194007030000000, 0.895678140000000, 0.890308310000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.694007030000000, 0.895678140000000, 0.890308310000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.195319955000000, 0.644627420000000, 0.122070710000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.695319955000000, 0.644627420000000, 0.122070710000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.194945570000000, 0.360444150000000, 0.858912440000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.694945570000000, 0.360444150000000, 0.858912440000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.197774095000000, 0.878632600000000, 0.361804830000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.697774095000000, 0.878632600000000, 0.361804830000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.302225905000000, 0.378632600000000, 0.638195170000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.802225905000000, 0.378632600000000, 0.638195170000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.305054430000000, 0.860444150000000, 0.141087560000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.805054430000000, 0.860444150000000, 0.141087560000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.304680045000000, 0.144627420000000, 0.877929290000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.804680045000000, 0.144627420000000, 0.877929290000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.305992970000000, 0.395678140000000, 0.109691690000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.805992970000000, 0.395678140000000, 0.109691690000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 101 coordinates: [ 0.314758870000000, 0.638861850000000, 0.357203290000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.814758870000000, 0.638861850000000, 0.357203290000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.319940850000000, 0.871075240000000, 0.604145480000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.819940850000000, 0.871075240000000, 0.604145480000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.318389105000000, 0.611058790000000, 0.890050910000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.818389105000000, 0.611058790000000, 0.890050910000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.321193110000000, 0.112095870000000, 0.372290950000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.821193110000000, 0.112095870000000, 0.372290950000000 ] mass: 15.999400 reduced_to: 107displacements:- atom: 1 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ -0.0374509900000000, 0.0000161300000000, 0.0008033900000000 ] - [ 0.0004363800000000, 0.0001339200000000, 0.0000967400000000 ] - [ -0.0009659700000000, -0.0000465100000000, 0.0011490900000000 ] - [ 0.0005142700000000, 0.0002674700000000, -0.0000635300000000 ] - [ -0.0000178600000000, 0.0000679500000000, -0.0003039500000000 ] - [ 0.0001706400000000, 0.0000440300000000, -0.0001195800000000 ] - [ 0.0005160700000000, 0.0002228600000000, 0.0000644800000000 ] - [ 0.0003377800000000, 0.0000044800000000, -0.0001234300000000 ] - [ 0.0005872900000000, -0.0001514300000000, 0.0000807100000000 ] - [ 0.0006660600000000, 0.0002509900000000, 0.0000482300000000 ] - [ 0.0009188400000000, 0.0002653400000000, 0.0001748400000000 ] - [ -0.0001227600000000, -0.0021430700000000, -0.0010499700000000 ] - [ 0.0002573700000000, 0.0018260500000000, 0.0015754200000000 ] - [ 0.0010680100000000, -0.0002864300000000, -0.0001792400000000 ] - [ -0.0020562300000000, -0.0001623900000000, 0.0000833800000000 ] - [ 0.0007798000000000, 0.0000127600000000, -0.0001039500000000 ] - [ -0.0000138900000000, -0.0018019700000000, 0.0022442600000000 ] - [ 0.0007301700000000, 0.0000819400000000, -0.0000868100000000 ] - [ 0.0001370300000000, 0.0012433900000000, -0.0021322500000000 ] - [ 0.0009595200000000, 0.0000144700000000, 0.0001747200000000 ] - [ 0.0016203600000000, 0.0004221400000000, -0.0004620400000000 ] - [ 0.0003244400000000, 0.0004154400000000, 0.0002649500000000 ] - [ 0.0011964400000000, 0.0000952800000000, -0.0004340100000000 ] - [ 0.0004593000000000, -0.0011037000000000, 0.0012320200000000 ] - [ 0.0026899100000000, 0.0007231100000000, -0.0013889100000000 ] - [ 0.0087110400000000, -0.0028405800000000, 0.0009187600000000 ] - [ -0.0028291600000000, 0.0064604900000000, 0.0014737800000000 ] - [ 0.0020790200000000, -0.0005366200000000, -0.0006037500000000 ] - [ -0.0029716900000000, 0.0004229000000000, -0.0058628900000000 ] - [ 0.0016053300000000, -0.0001079000000000, 0.0000587400000000 ] - [ -0.0052908800000000, -0.0004066500000000, 0.0067595300000000 ] - [ 0.0019494900000000, -0.0005272100000000, -0.0008623200000000 ] - [ -0.0049693900000000, 0.0073675200000000, 0.0008604900000000 ] - [ 0.0019295500000000, -0.0009969300000000, 0.0003132800000000 ] - [ -0.0047869600000000, -0.0045803400000000, -0.0001829500000000 ] - [ 0.0019489300000000, 0.0001401300000000, -0.0002271100000000 ] - [ -0.0047373400000000, 0.0015929200000000, -0.0078068600000000 ] - [ 0.0022166400000000, -0.0005046800000000, 0.0007785700000000 ] - [ 0.0002779700000000, 0.0011353500000000, 0.0011684000000000 ] - [ 0.0011080700000000, -0.0001998200000000, 0.0003414900000000 ] - [ 0.0069843700000000, 0.0031118300000000, 0.0029895200000000 ] - [ 0.0030590400000000, -0.0002926300000000, -0.0006340800000000 ] - [ 0.0061421100000000, -0.0025642800000000, -0.0033601800000000 ] - [ 0.0029897300000000, 0.0012896000000000, 0.0003433700000000 ] - [ -0.0017180800000000, -0.0002350300000000, 0.0005249200000000 ] - [ -0.0026790300000000, -0.0012006100000000, -0.0004742700000000 ] - [ -0.0005691300000000, -0.0002701500000000, -0.0000419700000000 ] - [ -0.0003056100000000, 0.0002087500000000, -0.0002845200000000 ] - [ -0.0018941500000000, -0.0004759900000000, 0.0003071800000000 ] - [ -0.0029446100000000, 0.0005494300000000, 0.0011150500000000 ] - [ -0.0004444500000000, -0.0004739500000000, 0.0005240800000000 ] - [ -0.0003887600000000, 0.0015007100000000, -0.0007650400000000 ] - [ -0.0003352100000000, -0.0000065000000000, 0.0001662300000000 ] - [ 0.0000267500000000, 0.0004539500000000, -0.0002074900000000 ] - [ -0.0009200300000000, -0.0000624000000000, -0.0000231700000000 ] - [ -0.0000877900000000, -0.0004469700000000, 0.0000544300000000 ] - [ -0.0008558400000000, -0.0000131200000000, 0.0004693800000000 ] - [ -0.0003355300000000, 0.0002427000000000, -0.0010479200000000 ] - [ -0.0012039400000000, 0.0000044100000000, 0.0002463500000000 ] - [ 0.0005303000000000, -0.0002298900000000, -0.0002305800000000 ] - [ 0.0063755500000000, -0.0029590800000000, 0.0011902900000000 ] - [ -0.0016715400000000, 0.0000900400000000, 0.0007646600000000 ] - [ 0.0006360400000000, -0.0013185900000000, 0.0004375100000000 ] - [ -0.0008933300000000, 0.0000847300000000, 0.0000620900000000 ] - [ 0.0007378800000000, 0.0013719500000000, -0.0003976400000000 ] - [ -0.0010166700000000, 0.0000551600000000, 0.0001990700000000 ] - [ 0.0008778900000000, 0.0006048900000000, 0.0001330500000000 ] - [ -0.0006118300000000, 0.0002927900000000, 0.0001285700000000 ] - [ 0.0074229500000000, 0.0019099900000000, -0.0026900900000000 ] - [ -0.0003569500000000, 0.0000976200000000, 0.0000524200000000 ] - [ 0.0037824600000000, -0.0016278900000000, -0.0012636200000000 ] - [ -0.0010844600000000, 0.0000077700000000, 0.0003034400000000 ] - [ 0.0029027900000000, -0.0011499300000000, 0.0001752500000000 ] - [ -0.0011130800000000, 0.0003157300000000, 0.0000310800000000 ] - [ 0.0041742600000000, -0.0011718300000000, -0.0003077300000000 ] - [ -0.0014070600000000, 0.0002295100000000, 0.0000875000000000 ] - [ 0.0042574200000000, -0.0013196100000000, 0.0009997200000000 ] - [ -0.0013305800000000, 0.0002863900000000, 0.0000880500000000 ] - [ 0.0023257400000000, -0.0006087100000000, -0.0007764100000000 ] - [ -0.0008322400000000, 0.0000726000000000, -0.0000242800000000 ] - [ 0.0032681400000000, 0.0000598500000000, 0.0012366800000000 ] - [ -0.0010895000000000, 0.0000168600000000, -0.0001506100000000 ] - [ 0.0010843900000000, 0.0008796300000000, 0.0016598700000000 ] - [ -0.0005934000000000, 0.0000297000000000, -0.0001281200000000 ] - [ 0.0005649800000000, -0.0003003900000000, 0.0008291500000000 ] - [ -0.0003991700000000, 0.0001450800000000, -0.0000440800000000 ] - [ 0.0065539500000000, 0.0004476700000000, 0.0028753000000000 ] - [ -0.0013738200000000, 0.0004067300000000, 0.0000482300000000 ] - [ 0.0073460100000000, -0.0024683000000000, -0.0015045100000000 ] - [ -0.0012158600000000, -0.0001285400000000, -0.0003807300000000 ] - [ 0.0008505200000000, -0.0004209000000000, -0.0010176600000000 ] - [ -0.0009454900000000, 0.0001655500000000, 0.0000366400000000 ] - [ 0.0004100700000000, -0.0000172500000000, 0.0013428600000000 ] - [ -0.0013745800000000, -0.0000011300000000, -0.0005561400000000 ] - [ -0.0002142700000000, -0.0013150500000000, -0.0006255100000000 ] - [ -0.0007676600000000, 0.0004090000000000, 0.0000161000000000 ] - [ 0.0003346400000000, 0.0013332700000000, 0.0001044400000000 ] - [ -0.0010287200000000, -0.0007535900000000, -0.0001275300000000 ] - [ -0.0026273700000000, 0.0000982100000000, 0.0000459500000000 ] - [ -0.0005342100000000, -0.0003136000000000, 0.0001631300000000 ] - [ -0.0002146700000000, -0.0005758600000000, -0.0014983500000000 ] - [ -0.0004309900000000, 0.0001439300000000, 0.0002796700000000 ] - [ -0.0002662200000000, -0.0001488300000000, -0.0002478000000000 ] - [ -0.0006183100000000, 0.0000328400000000, -0.0003177300000000 ] - [ -0.0023671800000000, -0.0004753200000000, 0.0006936500000000 ] - [ -0.0014616300000000, -0.0002010600000000, 0.0001108700000000 ] - [ -0.0006568500000000, -0.0002940600000000, -0.0002444600000000 ] - [ -0.0004407700000000, 0.0000613000000000, -0.0001352400000000 ]- atom: 1 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ 0.0371570500000000, 0.0001905300000000, -0.0005993000000000 ] - [ -0.0007122800000000, 0.0001899300000000, -0.0000998600000000 ] - [ 0.0011589200000000, 0.0003033900000000, -0.0009267700000000 ] - [ -0.0003178000000000, -0.0000093100000000, 0.0002893300000000 ] - [ -0.0001811000000000, 0.0001916500000000, 0.0000782400000000 ] - [ -0.0003658800000000, 0.0002133700000000, -0.0001087600000000 ] - [ -0.0002398300000000, 0.0001015000000000, -0.0000596700000000 ] - [ -0.0000578800000000, 0.0003204600000000, 0.0001292100000000 ] - [ -0.0004126400000000, 0.0001741300000000, -0.0000854000000000 ] - [ -0.0004850800000000, -0.0002286400000000, -0.0000531200000000 ] - [ -0.0011024400000000, -0.0003158100000000, -0.0000756400000000 ] - [ -0.0000555400000000, 0.0021033400000000, 0.0011602200000000 ] - [ -0.0000706100000000, -0.0018901400000000, -0.0016909000000000 ] - [ -0.0008837500000000, 0.0002350100000000, 0.0000792000000000 ] - [ 0.0018780600000000, 0.0001877900000000, -0.0000806300000000 ] - [ -0.0009581300000000, 0.0000108200000000, 0.0001068500000000 ] - [ -0.0000200100000000, 0.0018199900000000, -0.0021289900000000 ] - [ -0.0007557100000000, -0.0000503400000000, 0.0001904700000000 ] - [ -0.0001155900000000, -0.0011977300000000, 0.0020196600000000 ] - [ -0.0009334900000000, 0.0000186300000000, -0.0002766600000000 ] - [ -0.0013589200000000, -0.0003408300000000, 0.0004271000000000 ] - [ -0.0000469100000000, -0.0003263300000000, -0.0003054400000000 ] - [ -0.0011683900000000, -0.0002737300000000, 0.0003485100000000 ] - [ -0.0004201100000000, 0.0009208800000000, -0.0013154500000000 ] - [ -0.0031694300000000, -0.0008636300000000, 0.0013078200000000 ] - [ -0.0092275500000000, 0.0027490600000000, -0.0010588300000000 ] - [ 0.0033343200000000, -0.0065788400000000, -0.0013907900000000 ] - [ -0.0015887800000000, 0.0003952400000000, 0.0006810200000000 ] - [ 0.0029581500000000, -0.0006139300000000, 0.0059218600000000 ] - [ -0.0016384600000000, -0.0000762900000000, 0.0000277400000000 ] - [ 0.0050306200000000, 0.0004872100000000, -0.0067056000000000 ] - [ -0.0022150600000000, 0.0006130100000000, 0.0008984600000000 ] - [ 0.0049891200000000, -0.0075123200000000, -0.0006581600000000 ] - [ -0.0018982900000000, 0.0008818100000000, -0.0001030300000000 ] - [ 0.0048780300000000, 0.0045911500000000, -0.0000827600000000 ] - [ -0.0018465500000000, -0.0001513000000000, -0.0000364000000000 ] - [ 0.0050037600000000, -0.0015374300000000, 0.0076655500000000 ] - [ -0.0019362500000000, 0.0005598900000000, -0.0009476800000000 ] - [ -0.0005683800000000, -0.0010797400000000, -0.0010076200000000 ] - [ -0.0013825500000000, 0.0002590800000000, -0.0001687500000000 ] - [ -0.0070793600000000, -0.0030538600000000, -0.0026790500000000 ] - [ -0.0031752600000000, 0.0002870100000000, 0.0009026800000000 ] - [ -0.0061542500000000, 0.0023938400000000, 0.0030995100000000 ] - [ -0.0030328300000000, -0.0014115300000000, -0.0005499200000000 ] - [ 0.0018622900000000, 0.0000917100000000, -0.0004302400000000 ] - [ 0.0028444800000000, 0.0010521000000000, 0.0005768200000000 ] - [ 0.0006734800000000, 0.0003274000000000, -0.0000287600000000 ] - [ 0.0004021400000000, -0.0001541400000000, 0.0002124800000000 ] - [ 0.0017467800000000, 0.0002472000000000, -0.0003543300000000 ] - [ 0.0028181700000000, -0.0007864700000000, -0.0011539700000000 ] - [ 0.0003314300000000, 0.0004359400000000, -0.0003814000000000 ] - [ 0.0002735600000000, -0.0015366300000000, 0.0009125600000000 ] - [ 0.0004430100000000, 0.0003103100000000, -0.0001558600000000 ] - [ 0.0000770600000000, -0.0001488700000000, 0.0002198100000000 ] - [ 0.0010500200000000, 0.0000376100000000, -0.0000889800000000 ] - [ 0.0002073700000000, 0.0004206900000000, -0.0001653400000000 ] - [ 0.0009885400000000, 0.0001471300000000, -0.0003175800000000 ] - [ 0.0004552900000000, -0.0001113100000000, 0.0011939200000000 ] - [ 0.0012047900000000, 0.0000230700000000, -0.0003822800000000 ] - [ -0.0005389200000000, 0.0002549300000000, 0.0000956800000000 ] - [ -0.0066759300000000, 0.0032512400000000, -0.0013732300000000 ] - [ 0.0016693900000000, -0.0000634000000000, -0.0006287400000000 ] - [ -0.0007694600000000, 0.0014442800000000, -0.0005801100000000 ] - [ 0.0007629000000000, 0.0000488500000000, -0.0002120100000000 ] - [ -0.0008703300000000, -0.0013985900000000, 0.0005107300000000 ] - [ 0.0008872500000000, -0.0000827200000000, -0.0000880200000000 ] - [ -0.0009904000000000, -0.0002886000000000, -0.0001400000000000 ] - [ 0.0005059600000000, 0.0000164500000000, -0.0001381800000000 ] - [ -0.0074130600000000, -0.0021474500000000, 0.0027583500000000 ] - [ 0.0004712500000000, -0.0001315100000000, -0.0001990400000000 ] - [ -0.0036399200000000, 0.0013999000000000, 0.0013042000000000 ] - [ 0.0012351600000000, -0.0002353900000000, -0.0002594300000000 ] - [ -0.0030076900000000, 0.0012078200000000, -0.0000988700000000 ] - [ 0.0010134100000000, -0.0002581300000000, 0.0000410000000000 ] - [ -0.0043274200000000, 0.0010263200000000, 0.0002179800000000 ] - [ 0.0012600700000000, -0.0003759300000000, -0.0001815400000000 ] - [ -0.0041952400000000, 0.0013561400000000, -0.0008086600000000 ] - [ 0.0013849500000000, -0.0002519600000000, 0.0001067900000000 ] - [ -0.0022901600000000, 0.0004241100000000, 0.0005862900000000 ] - [ 0.0008630400000000, -0.0002584100000000, -0.0001696000000000 ] - [ -0.0034039200000000, -0.0001446700000000, -0.0011413800000000 ] - [ 0.0009474700000000, -0.0000986600000000, 0.0002494700000000 ] - [ -0.0012740700000000, -0.0009106600000000, -0.0015993000000000 ] - [ 0.0004046900000000, -0.0000558400000000, 0.0001931000000000 ] - [ -0.0004870000000000, 0.0003373000000000, -0.0008001700000000 ] - [ 0.0004715400000000, -0.0001058300000000, 0.0000759800000000 ] - [ -0.0064341100000000, -0.0004367100000000, -0.0025441700000000 ] - [ 0.0012899000000000, -0.0006657900000000, 0.0000742000000000 ] - [ -0.0073514800000000, 0.0021792200000000, 0.0012834300000000 ] - [ 0.0010039800000000, 0.0000926500000000, 0.0004301400000000 ] - [ -0.0007206000000000, 0.0005681400000000, 0.0011543000000000 ] - [ 0.0010683700000000, -0.0000185400000000, 0.0000940600000000 ] - [ -0.0005197500000000, 0.0001701500000000, -0.0014742400000000 ] - [ 0.0012487500000000, 0.0001488800000000, 0.0004275900000000 ] - [ 0.0004453300000000, 0.0012800300000000, 0.0005763100000000 ] - [ 0.0009827100000000, -0.0004479700000000, -0.0000681700000000 ] - [ -0.0002330900000000, -0.0015831600000000, -0.0002210000000000 ] - [ 0.0011152300000000, 0.0005015600000000, 0.0000048000000000 ] - [ 0.0025233400000000, -0.0000685700000000, -0.0000804300000000 ] - [ 0.0004649800000000, 0.0003511600000000, -0.0002000100000000 ] - [ 0.0004089600000000, 0.0005430800000000, 0.0014334000000000 ] - [ 0.0006196800000000, -0.0001730600000000, -0.0003470800000000 ] - [ 0.0004148600000000, 0.0000665900000000, 0.0001527600000000 ] - [ 0.0007592900000000, -0.0001148300000000, 0.0002188700000000 ] - [ 0.0023151900000000, 0.0002870600000000, -0.0005026900000000 ] - [ 0.0014292300000000, 0.0000130600000000, 0.0000810700000000 ] - [ 0.0006049200000000, 0.0003318200000000, 0.0000495700000000 ] - [ 0.0003794600000000, -0.0000270900000000, -0.0000591100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002902600000000, -0.0373827200000000, 0.0015629400000000 ] - [ -0.0001683800000000, 0.0001153600000000, -0.0000141500000000 ] - [ -0.0000561400000000, -0.0004260400000000, 0.0009600900000000 ] - [ 0.0000811300000000, 0.0001213700000000, 0.0001322400000000 ] - [ -0.0003629700000000, 0.0004487700000000, 0.0000971800000000 ] - [ -0.0000263600000000, 0.0001470000000000, -0.0001978500000000 ] - [ 0.0000804100000000, 0.0004691400000000, -0.0001959000000000 ] - [ 0.0002976500000000, 0.0004418800000000, 0.0001989700000000 ] - [ -0.0001535600000000, -0.0005293900000000, 0.0003553200000000 ] - [ 0.0002961800000000, -0.0005569400000000, -0.0003091800000000 ] - [ 0.0000423500000000, 0.0000357700000000, 0.0001389000000000 ] - [ -0.0012686100000000, 0.0009257700000000, 0.0017899000000000 ] - [ 0.0022500000000000, 0.0004791300000000, 0.0015241100000000 ] - [ -0.0001695400000000, 0.0001028200000000, 0.0000477300000000 ] - [ -0.0001671700000000, 0.0010573800000000, 0.0001195500000000 ] - [ -0.0000847300000000, 0.0000421400000000, -0.0000044100000000 ] - [ -0.0021938500000000, 0.0012567100000000, -0.0014462900000000 ] - [ 0.0001614200000000, -0.0000916600000000, 0.0001635800000000 ] - [ 0.0015811700000000, 0.0010263500000000, -0.0015531400000000 ] - [ -0.0001310900000000, 0.0001072700000000, -0.0001515300000000 ] - [ -0.0000093700000000, 0.0003145800000000, 0.0000696700000000 ] - [ 0.0016088400000000, 0.0014538200000000, -0.0011482600000000 ] - [ 0.0001150900000000, 0.0000822700000000, 0.0000600200000000 ] - [ -0.0002382900000000, 0.0014389200000000, -0.0010383300000000 ] - [ 0.0001763900000000, -0.0008814100000000, -0.0007819100000000 ] - [ -0.0060963400000000, -0.0005581800000000, 0.0003729300000000 ] - [ 0.0029486100000000, 0.0098485400000000, -0.0023213900000000 ] - [ 0.0001563500000000, 0.0000276300000000, 0.0000209400000000 ] - [ 0.0015971500000000, -0.0033588300000000, -0.0068616600000000 ] - [ -0.0000994700000000, -0.0001923900000000, 0.0000846600000000 ] - [ 0.0007505200000000, -0.0012296100000000, -0.0067135200000000 ] - [ -0.0001957800000000, -0.0000182700000000, -0.0000039700000000 ] - [ 0.0001026900000000, 0.0125202500000000, 0.0011112000000000 ] - [ -0.0000441600000000, 0.0001990400000000, 0.0001537100000000 ] - [ -0.0028983200000000, 0.0098206400000000, 0.0009104900000000 ] - [ 0.0000092600000000, 0.0000439900000000, -0.0001453700000000 ] - [ -0.0001959100000000, -0.0026376600000000, 0.0048901800000000 ] - [ 0.0001302800000000, -0.0000428600000000, -0.0001645200000000 ] - [ 0.0004480300000000, 0.0010289400000000, 0.0009398900000000 ] - [ 0.0000978200000000, 0.0006728400000000, 0.0001036800000000 ] - [ 0.0063597200000000, -0.0029629000000000, 0.0002105700000000 ] - [ -0.0010820500000000, -0.0001101300000000, 0.0006373100000000 ] - [ -0.0055231400000000, -0.0022870400000000, -0.0010536000000000 ] - [ 0.0000831300000000, -0.0005547500000000, -0.0002171400000000 ] - [ 0.0014640100000000, 0.0008795800000000, -0.0001057300000000 ] - [ -0.0003592500000000, 0.0013430000000000, 0.0000378500000000 ] - [ -0.0001472800000000, -0.0002257900000000, -0.0001744100000000 ] - [ -0.0000527600000000, -0.0007040400000000, 0.0002241000000000 ] - [ -0.0012375300000000, -0.0001758900000000, 0.0004808300000000 ] - [ 0.0013866300000000, -0.0000375500000000, -0.0011062400000000 ] - [ -0.0000734900000000, -0.0000571000000000, 0.0001032100000000 ] - [ 0.0000853200000000, -0.0010709300000000, 0.0006629000000000 ] - [ 0.0001517800000000, -0.0000701000000000, -0.0001112700000000 ] - [ -0.0002426800000000, -0.0007284800000000, 0.0004445400000000 ] - [ 0.0002129900000000, -0.0000310700000000, -0.0001435800000000 ] - [ -0.0014518700000000, -0.0003230200000000, 0.0003386500000000 ] - [ 0.0000878400000000, 0.0001987200000000, 0.0000779900000000 ] - [ 0.0008899300000000, -0.0001006300000000, 0.0012798100000000 ] - [ 0.0000744000000000, -0.0000682000000000, -0.0000377300000000 ] - [ -0.0014570400000000, -0.0006036100000000, 0.0005142900000000 ] - [ -0.0021451400000000, 0.0064243300000000, -0.0011627800000000 ] - [ -0.0000742800000000, 0.0001306900000000, 0.0001650700000000 ] - [ -0.0004268600000000, -0.0012552400000000, 0.0007478200000000 ] - [ -0.0000232100000000, 0.0000405400000000, -0.0000812600000000 ] - [ 0.0000340000000000, -0.0008911400000000, 0.0003629000000000 ] - [ -0.0000604100000000, -0.0000108900000000, 0.0000420300000000 ] - [ 0.0000789700000000, 0.0031151100000000, 0.0005619400000000 ] - [ -0.0000725700000000, 0.0002371800000000, -0.0000379400000000 ] - [ 0.0032297900000000, 0.0064487400000000, -0.0023691300000000 ] - [ 0.0000847900000000, 0.0000059100000000, -0.0000857700000000 ] - [ 0.0002428900000000, -0.0030343100000000, 0.0001504400000000 ] - [ 0.0001521100000000, -0.0001459100000000, 0.0000351100000000 ] - [ -0.0007263800000000, 0.0017513100000000, 0.0005286600000000 ] - [ 0.0000114500000000, 0.0000757700000000, 0.0000182000000000 ] - [ 0.0014561500000000, -0.0045481300000000, -0.0003921500000000 ] - [ -0.0000626000000000, -0.0001871400000000, -0.0000505800000000 ] - [ -0.0010441800000000, 0.0022195800000000, 0.0012722100000000 ] - [ 0.0000798200000000, 0.0000656800000000, 0.0001300100000000 ] - [ 0.0005958700000000, -0.0039171600000000, 0.0004255300000000 ] - [ 0.0000173000000000, -0.0001449800000000, -0.0001133500000000 ] - [ 0.0006825500000000, 0.0003843200000000, 0.0000897900000000 ] - [ -0.0000685300000000, -0.0000028300000000, 0.0000534500000000 ] - [ 0.0000169700000000, -0.0009720300000000, -0.0008063700000000 ] - [ -0.0001014000000000, -0.0000088400000000, 0.0000619800000000 ] - [ -0.0002184000000000, -0.0046107900000000, 0.0014525200000000 ] - [ 0.0000723500000000, -0.0000706300000000, 0.0000288500000000 ] - [ 0.0014043400000000, 0.0041266900000000, 0.0033717400000000 ] - [ 0.0002141100000000, -0.0003108700000000, 0.0000279000000000 ] - [ -0.0023888300000000, 0.0055702300000000, 0.0022924600000000 ] - [ -0.0000746800000000, 0.0000513100000000, 0.0000906400000000 ] - [ -0.0000707500000000, -0.0007558000000000, -0.0007414200000000 ] - [ -0.0000098800000000, -0.0000109600000000, 0.0000146900000000 ] - [ 0.0015764300000000, 0.0006173100000000, -0.0008709500000000 ] - [ -0.0001279500000000, 0.0001785900000000, 0.0000610800000000 ] - [ -0.0008695200000000, -0.0009164000000000, -0.0002692500000000 ] - [ 0.0001420800000000, -0.0002802400000000, -0.0001801400000000 ] - [ 0.0011261500000000, -0.0007738300000000, 0.0001163600000000 ] - [ 0.0000016300000000, -0.0000396100000000, -0.0000867000000000 ] - [ 0.0010463900000000, 0.0026784500000000, 0.0010601500000000 ] - [ -0.0000540400000000, 0.0003880200000000, -0.0000836200000000 ] - [ -0.0004451500000000, 0.0000656300000000, -0.0010247700000000 ] - [ 0.0001418900000000, -0.0001160800000000, -0.0002628900000000 ] - [ -0.0000586200000000, -0.0002538000000000, -0.0003268700000000 ] - [ 0.0001756500000000, -0.0002191800000000, 0.0001795200000000 ] - [ -0.0009637500000000, 0.0010802800000000, 0.0008611100000000 ] - [ 0.0007708200000000, 0.0002132900000000, 0.0000624700000000 ] - [ 0.0001895700000000, -0.0006220200000000, -0.0001447200000000 ] - [ -0.0007066300000000, -0.0004025700000000, 0.0000072100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001106500000000, 0.0376747900000000, -0.0017818000000000 ] - [ -0.0001061900000000, 0.0002034700000000, 0.0000060900000000 ] - [ 0.0002492700000000, 0.0006821800000000, -0.0007356100000000 ] - [ 0.0001138200000000, 0.0001383000000000, 0.0000930700000000 ] - [ 0.0001681400000000, -0.0001881100000000, -0.0003227400000000 ] - [ -0.0001686300000000, 0.0001125600000000, -0.0000279700000000 ] - [ 0.0001962900000000, -0.0001492900000000, 0.0002066500000000 ] - [ -0.0000241900000000, -0.0001234200000000, -0.0001893900000000 ] - [ 0.0003341100000000, 0.0005526500000000, -0.0003582800000000 ] - [ -0.0001141400000000, 0.0005807300000000, 0.0003077700000000 ] - [ -0.0002235800000000, -0.0000865700000000, -0.0000406300000000 ] - [ 0.0010731300000000, -0.0009809900000000, -0.0016785100000000 ] - [ -0.0020822600000000, -0.0005218500000000, -0.0016369300000000 ] - [ 0.0003529600000000, -0.0001526800000000, -0.0001466300000000 ] - [ -0.0000156600000000, -0.0010338500000000, -0.0001181700000000 ] - [ -0.0000970500000000, -0.0000181300000000, 0.0000053200000000 ] - [ 0.0021800900000000, -0.0012203600000000, 0.0015596100000000 ] - [ -0.0001895300000000, 0.0001262200000000, -0.0000657900000000 ] - [ -0.0015383300000000, -0.0009951300000000, 0.0014408800000000 ] - [ 0.0001587300000000, -0.0000742200000000, 0.0000552100000000 ] - [ 0.0002806400000000, -0.0002338800000000, -0.0000936900000000 ] - [ -0.0013406700000000, -0.0013725800000000, 0.0011315800000000 ] - [ -0.0000831000000000, -0.0002717500000000, -0.0001653900000000 ] - [ 0.0002685100000000, -0.0016356100000000, 0.0009346500000000 ] - [ -0.0006872100000000, 0.0007360900000000, 0.0006977100000000 ] - [ 0.0056116500000000, 0.0003997500000000, -0.0004636200000000 ] - [ -0.0024876600000000, -0.0099909800000000, 0.0024688600000000 ] - [ 0.0003576100000000, -0.0001718600000000, 0.0000615200000000 ] - [ -0.0016223700000000, 0.0031760700000000, 0.0069444600000000 ] - [ 0.0000694500000000, 0.0000013900000000, 0.0000231400000000 ] - [ -0.0010280600000000, 0.0012991300000000, 0.0067624600000000 ] - [ -0.0000731100000000, 0.0000979300000000, 0.0000286200000000 ] - [ -0.0000028800000000, -0.0125908100000000, -0.0008450200000000 ] - [ 0.0000840900000000, -0.0002904800000000, 0.0000602200000000 ] - [ 0.0030556900000000, -0.0098276500000000, -0.0012240600000000 ] - [ 0.0000923900000000, -0.0000504700000000, -0.0001121500000000 ] - [ 0.0004740200000000, 0.0027051500000000, -0.0050333300000000 ] - [ 0.0001499400000000, 0.0000998800000000, -0.0000023800000000 ] - [ -0.0007226000000000, -0.0009728900000000, -0.0007729100000000 ] - [ -0.0003753600000000, -0.0006182900000000, 0.0000653800000000 ] - [ -0.0064720500000000, 0.0029538700000000, 0.0000445500000000 ] - [ 0.0009846700000000, 0.0001047700000000, -0.0003793300000000 ] - [ 0.0054661000000000, 0.0022018000000000, 0.0008399000000000 ] - [ -0.0001172100000000, 0.0004646300000000, 0.0000040200000000 ] - [ -0.0013008500000000, -0.0010374400000000, 0.0001927000000000 ] - [ 0.0005187500000000, -0.0015063600000000, 0.0000480700000000 ] - [ 0.0002661100000000, 0.0002693300000000, 0.0000920400000000 ] - [ 0.0001732500000000, 0.0007501500000000, -0.0003091200000000 ] - [ 0.0011001000000000, -0.0000439300000000, -0.0005128000000000 ] - [ -0.0015230800000000, -0.0001782300000000, 0.0010786100000000 ] - [ -0.0000462600000000, 0.0000359700000000, 0.0000558900000000 ] - [ -0.0002045600000000, 0.0010584000000000, -0.0005005900000000 ] - [ -0.0000472400000000, 0.0003904200000000, 0.0001300100000000 ] - [ 0.0003486200000000, 0.0010528800000000, -0.0004267000000000 ] - [ -0.0000908900000000, 0.0000167300000000, 0.0000371200000000 ] - [ 0.0015734300000000, 0.0003047400000000, -0.0004462200000000 ] - [ 0.0000399500000000, -0.0000668400000000, 0.0000664900000000 ] - [ -0.0007679100000000, 0.0002299400000000, -0.0011410100000000 ] - [ -0.0000922500000000, 0.0000876900000000, -0.0001075600000000 ] - [ 0.0014524100000000, 0.0006208900000000, -0.0006683300000000 ] - [ 0.0019598500000000, -0.0062999000000000, 0.0011154000000000 ] - [ 0.0000900000000000, -0.0001105200000000, -0.0000197000000000 ] - [ 0.0003020600000000, 0.0013708000000000, -0.0008929400000000 ] - [ -0.0001042200000000, 0.0000882000000000, -0.0000622700000000 ] - [ -0.0001558100000000, 0.0008816200000000, -0.0002541400000000 ] - [ -0.0000659300000000, -0.0000060900000000, 0.0000648300000000 ] - [ -0.0001862300000000, -0.0027843400000000, -0.0005782200000000 ] - [ -0.0000326500000000, 0.0000887200000000, 0.0000218900000000 ] - [ -0.0033627400000000, -0.0067296500000000, 0.0025350700000000 ] - [ 0.0000358400000000, -0.0000264100000000, -0.0000793200000000 ] - [ -0.0001035400000000, 0.0028443000000000, -0.0001244400000000 ] - [ -0.0000143300000000, -0.0000747500000000, -0.0000055200000000 ] - [ 0.0006073000000000, -0.0017103500000000, -0.0004454800000000 ] - [ -0.0001295300000000, -0.0000296400000000, 0.0000668200000000 ] - [ -0.0016273900000000, 0.0043700000000000, 0.0002958200000000 ] - [ -0.0001061900000000, 0.0000284000000000, -0.0000359300000000 ] - [ 0.0011128200000000, -0.0021691200000000, -0.0010792100000000 ] - [ -0.0000176500000000, -0.0000223500000000, 0.0000633400000000 ] - [ -0.0005584300000000, 0.0037667000000000, -0.0006076700000000 ] - [ 0.0000233300000000, -0.0000280500000000, -0.0000686800000000 ] - [ -0.0008147700000000, -0.0004686700000000, -0.0000099800000000 ] - [ -0.0000655800000000, -0.0000757100000000, 0.0000287200000000 ] - [ -0.0002087800000000, 0.0009265500000000, 0.0008598500000000 ] - [ -0.0000856400000000, -0.0000228700000000, -0.0000111500000000 ] - [ 0.0002870400000000, 0.0046106600000000, -0.0014320900000000 ] - [ 0.0000063100000000, 0.0000979700000000, -0.0000071500000000 ] - [ -0.0012236800000000, -0.0041097600000000, -0.0029853900000000 ] - [ -0.0003171400000000, 0.0000269900000000, 0.0000981700000000 ] - [ 0.0024152200000000, -0.0057928200000000, -0.0024733600000000 ] - [ -0.0001471500000000, -0.0000752800000000, -0.0000260700000000 ] - [ 0.0001733700000000, 0.0009047200000000, 0.0008792300000000 ] - [ 0.0001178400000000, 0.0001580200000000, 0.0001263400000000 ] - [ -0.0016826900000000, -0.0004684600000000, 0.0007319000000000 ] - [ 0.0000148400000000, -0.0000322300000000, -0.0001988600000000 ] - [ 0.0010967500000000, 0.0009046200000000, 0.0001994700000000 ] - [ 0.0000818900000000, 0.0002591000000000, 0.0001141300000000 ] - [ -0.0010280200000000, 0.0004825800000000, -0.0002365600000000 ] - [ 0.0000988100000000, -0.0002397000000000, -0.0000387900000000 ] - [ -0.0011214800000000, -0.0026652600000000, -0.0010873300000000 ] - [ -0.0000236300000000, -0.0003672900000000, 0.0000569100000000 ] - [ 0.0006316500000000, -0.0000988900000000, 0.0009766500000000 ] - [ 0.0000443600000000, 0.0000832100000000, 0.0002151800000000 ] - [ 0.0001940400000000, 0.0001763000000000, 0.0002493000000000 ] - [ -0.0000397300000000, 0.0001418800000000, -0.0002600000000000 ] - [ 0.0009226700000000, -0.0012532800000000, -0.0006814800000000 ] - [ -0.0008145000000000, -0.0003900500000000, 0.0001164800000000 ] - [ -0.0002588600000000, 0.0006674700000000, -0.0000487800000000 ] - [ 0.0006418700000000, 0.0004488000000000, -0.0002008800000000 ]- atom: 1 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ 0.0008803300000000, 0.0019348400000000, -0.0397383000000000 ] - [ -0.0000461600000000, 0.0001493300000000, -0.0000283700000000 ] - [ 0.0006513500000000, 0.0006292500000000, 0.0022246100000000 ] - [ 0.0001456700000000, 0.0001366100000000, 0.0001008200000000 ] - [ -0.0002417900000000, 0.0003375400000000, 0.0001085300000000 ] - [ -0.0000856500000000, 0.0001138700000000, -0.0000035400000000 ] - [ 0.0001997800000000, 0.0003603300000000, -0.0002671700000000 ] - [ 0.0000125000000000, -0.0000334500000000, -0.0003191000000000 ] - [ 0.0000044800000000, -0.0002657100000000, 0.0004982400000000 ] - [ -0.0000380500000000, 0.0004614300000000, 0.0005602100000000 ] - [ 0.0002078600000000, 0.0000294400000000, 0.0001250200000000 ] - [ -0.0021869000000000, 0.0009955500000000, 0.0008690600000000 ] - [ 0.0014381000000000, 0.0017773300000000, 0.0009036300000000 ] - [ 0.0000515400000000, 0.0000609700000000, 0.0000261800000000 ] - [ -0.0001355100000000, -0.0002052600000000, 0.0010451100000000 ] - [ 0.0000101000000000, 0.0000137200000000, 0.0000419400000000 ] - [ 0.0018393100000000, -0.0016820600000000, 0.0013172800000000 ] - [ -0.0001126700000000, 0.0001252800000000, -0.0000677700000000 ] - [ -0.0018274700000000, -0.0017487300000000, 0.0003878300000000 ] - [ 0.0002840000000000, -0.0000663100000000, 0.0000702900000000 ] - [ 0.0006427700000000, 0.0003200100000000, 0.0000589600000000 ] - [ -0.0013173300000000, -0.0010960600000000, 0.0016103600000000 ] - [ 0.0002094300000000, -0.0000905200000000, 0.0001569600000000 ] - [ 0.0007189900000000, -0.0014067800000000, 0.0013892600000000 ] - [ -0.0002497800000000, -0.0005622600000000, -0.0008671100000000 ] - [ 0.0061888800000000, -0.0010595100000000, -0.0026820500000000 ] - [ -0.0008489100000000, -0.0051534800000000, -0.0031483800000000 ] - [ 0.0005696500000000, -0.0000829100000000, -0.0001683500000000 ] - [ -0.0024179400000000, 0.0000449600000000, 0.0123049100000000 ] - [ 0.0002426500000000, -0.0000803800000000, 0.0001155400000000 ] - [ 0.0015205100000000, -0.0025453500000000, 0.0106432700000000 ] - [ 0.0001311900000000, -0.0001033300000000, 0.0000329400000000 ] - [ 0.0003522600000000, 0.0061536500000000, -0.0018117900000000 ] - [ 0.0002641900000000, -0.0002154700000000, -0.0000050300000000 ] - [ 0.0007761200000000, 0.0062155600000000, -0.0031131100000000 ] - [ 0.0003768700000000, 0.0000820400000000, -0.0001969100000000 ] - [ -0.0013943600000000, 0.0025148700000000, 0.0103506000000000 ] - [ 0.0004252500000000, 0.0000027000000000, 0.0002014600000000 ] - [ 0.0006432700000000, 0.0005541300000000, 0.0016027000000000 ] - [ -0.0003500200000000, -0.0004642200000000, 0.0003501000000000 ] - [ 0.0059502000000000, -0.0005606200000000, -0.0011821300000000 ] - [ 0.0001840100000000, -0.0001216400000000, -0.0005611900000000 ] - [ -0.0048947300000000, -0.0008159100000000, -0.0028744500000000 ] - [ 0.0010026000000000, 0.0006093200000000, -0.0002231200000000 ] - [ 0.0010627400000000, 0.0004127000000000, -0.0000330800000000 ] - [ -0.0011839300000000, -0.0010733800000000, 0.0001523300000000 ] - [ -0.0003069000000000, -0.0001332300000000, -0.0002528000000000 ] - [ 0.0003475700000000, 0.0005089600000000, -0.0006983500000000 ] - [ -0.0012882900000000, -0.0001970400000000, 0.0008187400000000 ] - [ 0.0002907400000000, -0.0000419300000000, 0.0020216700000000 ] - [ -0.0000634800000000, -0.0000128400000000, 0.0001068000000000 ] - [ -0.0003597700000000, 0.0013159400000000, -0.0004798700000000 ] - [ 0.0000450100000000, 0.0000338100000000, -0.0001537800000000 ] - [ 0.0000363100000000, 0.0007980500000000, -0.0008335700000000 ] - [ -0.0000858900000000, -0.0000835700000000, -0.0001615000000000 ] - [ 0.0014825800000000, 0.0003334500000000, -0.0007604400000000 ] - [ -0.0000126700000000, 0.0001753800000000, 0.0000615800000000 ] - [ -0.0008604300000000, 0.0002209900000000, -0.0011488800000000 ] - [ -0.0002632700000000, -0.0000362100000000, 0.0000490600000000 ] - [ 0.0015424700000000, 0.0003795000000000, -0.0005867000000000 ] - [ 0.0017870300000000, -0.0027375500000000, 0.0051031800000000 ] - [ -0.0000987500000000, 0.0000813300000000, 0.0001383700000000 ] - [ 0.0002613400000000, 0.0011435500000000, -0.0012818500000000 ] - [ -0.0002332500000000, 0.0000369300000000, -0.0000588400000000 ] - [ -0.0003688100000000, 0.0013915100000000, -0.0007319100000000 ] - [ -0.0002006500000000, 0.0000507700000000, 0.0000257800000000 ] - [ 0.0004788400000000, -0.0012864300000000, -0.0044073600000000 ] - [ -0.0001597300000000, 0.0001980200000000, -0.0000580500000000 ] - [ -0.0036588300000000, -0.0035551800000000, 0.0052830800000000 ] - [ -0.0000031200000000, -0.0000024700000000, -0.0000503700000000 ] - [ -0.0009500200000000, -0.0012333900000000, 0.0030831700000000 ] - [ -0.0000796400000000, -0.0001323300000000, 0.0001353600000000 ] - [ -0.0004454800000000, -0.0006895900000000, -0.0037010300000000 ] - [ -0.0001784900000000, 0.0000652300000000, -0.0000347200000000 ] - [ 0.0005641800000000, -0.0004206200000000, -0.0001675300000000 ] - [ -0.0003115200000000, -0.0000680400000000, -0.0000010700000000 ] - [ 0.0003739000000000, -0.0000475300000000, -0.0027079100000000 ] - [ -0.0001758800000000, 0.0000539900000000, 0.0000429800000000 ] - [ -0.0006540500000000, -0.0003766200000000, 0.0016081300000000 ] - [ -0.0000816500000000, -0.0000708200000000, 0.0000010600000000 ] - [ -0.0011906700000000, 0.0002586300000000, -0.0046141800000000 ] - [ -0.0001801500000000, -0.0000619700000000, -0.0000614000000000 ] - [ -0.0002343000000000, -0.0011417200000000, -0.0006381800000000 ] - [ -0.0001553400000000, -0.0000416500000000, -0.0000462700000000 ] - [ 0.0001789700000000, -0.0010911900000000, 0.0024430400000000 ] - [ -0.0000567600000000, 0.0000341800000000, 0.0000746800000000 ] - [ 0.0007283200000000, 0.0008096400000000, 0.0070242100000000 ] - [ -0.0002345100000000, -0.0000179300000000, 0.0001478800000000 ] - [ -0.0027479900000000, 0.0019113800000000, 0.0055580700000000 ] - [ -0.0004032600000000, -0.0000860700000000, -0.0000907500000000 ] - [ -0.0002594000000000, -0.0001722800000000, -0.0009335400000000 ] - [ 0.0000377100000000, 0.0001353800000000, 0.0000792100000000 ] - [ 0.0011897300000000, 0.0000799800000000, -0.0007074300000000 ] - [ -0.0002247500000000, -0.0000144700000000, -0.0003422300000000 ] - [ -0.0012770000000000, -0.0009259200000000, -0.0005158800000000 ] - [ 0.0000798700000000, 0.0001616300000000, 0.0000643900000000 ] - [ 0.0010128200000000, -0.0012276700000000, 0.0004937500000000 ] - [ -0.0001476800000000, -0.0004076200000000, -0.0000152300000000 ] - [ -0.0014726900000000, 0.0010902500000000, 0.0020810600000000 ] - [ -0.0000571300000000, -0.0001178000000000, 0.0003363300000000 ] - [ -0.0002360000000000, -0.0000569900000000, -0.0008089800000000 ] - [ 0.0000837900000000, 0.0000527200000000, 0.0000986200000000 ] - [ 0.0000786700000000, 0.0000004600000000, -0.0006543600000000 ] - [ -0.0002390000000000, 0.0001125100000000, -0.0004720100000000 ] - [ 0.0007049200000000, 0.0004946300000000, 0.0015799200000000 ] - [ -0.0011416000000000, -0.0001706300000000, 0.0003821300000000 ] - [ -0.0004125700000000, -0.0002409700000000, -0.0003655200000000 ] - [ 0.0005512000000000, 0.0003693800000000, -0.0002569600000000 ]- atom: 1 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ -0.0009974600000000, -0.0014116700000000, 0.0397899400000000 ] - [ -0.0002292800000000, 0.0001692700000000, 0.0000198900000000 ] - [ -0.0004423700000000, -0.0003551500000000, -0.0019887800000000 ] - [ 0.0000488000000000, 0.0001223400000000, 0.0001242200000000 ] - [ 0.0000469700000000, -0.0000789600000000, -0.0003336800000000 ] - [ -0.0001097500000000, 0.0001452800000000, -0.0002227100000000 ] - [ 0.0000748100000000, -0.0000413200000000, 0.0002772300000000 ] - [ 0.0002626600000000, 0.0003525200000000, 0.0003288200000000 ] - [ 0.0001790200000000, 0.0002901800000000, -0.0005037000000000 ] - [ 0.0002159100000000, -0.0004391300000000, -0.0005624400000000 ] - [ -0.0003904800000000, -0.0000816000000000, -0.0000278300000000 ] - [ 0.0019948300000000, -0.0010354700000000, -0.0007757000000000 ] - [ -0.0012707400000000, -0.0018401200000000, -0.0009992000000000 ] - [ 0.0001307200000000, -0.0001117200000000, -0.0001251600000000 ] - [ -0.0000441400000000, 0.0002284600000000, -0.0010463300000000 ] - [ -0.0001929100000000, 0.0000095700000000, -0.0000410600000000 ] - [ -0.0018500500000000, 0.0016976400000000, -0.0012232100000000 ] - [ 0.0000840900000000, -0.0000914200000000, 0.0001653700000000 ] - [ 0.0018695200000000, 0.0017953900000000, -0.0004810900000000 ] - [ -0.0002580600000000, 0.0000990100000000, -0.0001676300000000 ] - [ -0.0003736000000000, -0.0002413900000000, -0.0000835400000000 ] - [ 0.0015859100000000, 0.0011704100000000, -0.0016369000000000 ] - [ -0.0001793900000000, -0.0001000300000000, -0.0002623300000000 ] - [ -0.0006932200000000, 0.0012156300000000, -0.0014925700000000 ] - [ -0.0002641700000000, 0.0004177500000000, 0.0007853400000000 ] - [ -0.0066760200000000, 0.0009106400000000, 0.0026006300000000 ] - [ 0.0013661700000000, 0.0050195400000000, 0.0032295000000000 ] - [ -0.0000582900000000, -0.0000616200000000, 0.0002517500000000 ] - [ 0.0023406400000000, -0.0003004600000000, -0.0121841000000000 ] - [ -0.0002745400000000, -0.0001117200000000, -0.0000086800000000 ] - [ -0.0018519000000000, 0.0026739100000000, -0.0106166300000000 ] - [ -0.0004025300000000, 0.0001839200000000, -0.0000072500000000 ] - [ -0.0003095800000000, -0.0062741900000000, 0.0020125600000000 ] - [ -0.0002268200000000, 0.0001247200000000, 0.0002179700000000 ] - [ -0.0006757700000000, -0.0062059000000000, 0.0028644300000000 ] - [ -0.0002773600000000, -0.0000902900000000, -0.0000611100000000 ] - [ 0.0017275900000000, -0.0025117300000000, -0.0105164700000000 ] - [ -0.0001475200000000, 0.0000541700000000, -0.0003705200000000 ] - [ -0.0009217200000000, -0.0004995200000000, -0.0014417100000000 ] - [ 0.0000704900000000, 0.0005190300000000, -0.0001826900000000 ] - [ -0.0060769600000000, 0.0005570100000000, 0.0014311800000000 ] - [ -0.0002828000000000, 0.0001152600000000, 0.0008210300000000 ] - [ 0.0048410200000000, 0.0007221900000000, 0.0026669300000000 ] - [ -0.0010389200000000, -0.0007022800000000, 0.0000096200000000 ] - [ -0.0009032600000000, -0.0005718600000000, 0.0001200000000000 ] - [ 0.0013438000000000, 0.0009153700000000, -0.0000680800000000 ] - [ 0.0004264100000000, 0.0001786500000000, 0.0001723400000000 ] - [ -0.0002273900000000, -0.0004637200000000, 0.0006167900000000 ] - [ 0.0011564200000000, -0.0000233800000000, -0.0008546500000000 ] - [ -0.0004314500000000, -0.0001785200000000, -0.0020494700000000 ] - [ -0.0000544900000000, -0.0000092400000000, 0.0000481400000000 ] - [ 0.0002410200000000, -0.0013359500000000, 0.0006373700000000 ] - [ 0.0000601100000000, 0.0002859100000000, 0.0001712600000000 ] - [ 0.0000697200000000, -0.0004764300000000, 0.0008499800000000 ] - [ 0.0002090600000000, 0.0000677700000000, 0.0000543300000000 ] - [ -0.0013541100000000, -0.0003449300000000, 0.0006539700000000 ] - [ 0.0001428500000000, -0.0000428500000000, 0.0000833700000000 ] - [ 0.0009898200000000, -0.0000927500000000, 0.0012829900000000 ] - [ 0.0002495500000000, 0.0000566900000000, -0.0001940900000000 ] - [ -0.0015557300000000, -0.0003589800000000, 0.0004420400000000 ] - [ -0.0020654700000000, 0.0029874900000000, -0.0052037100000000 ] - [ 0.0001158200000000, -0.0000611000000000, 0.0000047800000000 ] - [ -0.0003880200000000, -0.0010156700000000, 0.0011444700000000 ] - [ 0.0001053400000000, 0.0000927000000000, -0.0000874000000000 ] - [ 0.0002490000000000, -0.0014177900000000, 0.0008390400000000 ] - [ 0.0000747900000000, -0.0000697600000000, 0.0000810700000000 ] - [ -0.0005727900000000, 0.0016147500000000, 0.0043672800000000 ] - [ 0.0000550400000000, 0.0001265800000000, 0.0000421800000000 ] - [ 0.0034883900000000, 0.0031870800000000, -0.0051258000000000 ] - [ 0.0001233400000000, -0.0000198600000000, -0.0001135100000000 ] - [ 0.0010858700000000, 0.0010094800000000, -0.0030571000000000 ] - [ 0.0002197100000000, -0.0000899400000000, -0.0001044200000000 ] - [ 0.0003299400000000, 0.0007374800000000, 0.0038059100000000 ] - [ 0.0000630000000000, -0.0000187100000000, 0.0001179500000000 ] - [ -0.0007389600000000, 0.0002684500000000, 0.0000842600000000 ] - [ 0.0001467900000000, -0.0000903400000000, -0.0000870500000000 ] - [ -0.0003064700000000, 0.0000891200000000, 0.0029235700000000 ] - [ 0.0002395300000000, -0.0000122800000000, 0.0001505300000000 ] - [ 0.0006894100000000, 0.0002048300000000, -0.0017868700000000 ] - [ 0.0001211300000000, -0.0001046200000000, -0.0001854200000000 ] - [ 0.0010555100000000, -0.0003267000000000, 0.0046694000000000 ] - [ 0.0000467600000000, -0.0000176400000000, 0.0001444700000000 ] - [ 0.0000424100000000, 0.0011123500000000, 0.0006750100000000 ] - [ -0.0000314100000000, 0.0000099100000000, 0.0000976800000000 ] - [ -0.0000991700000000, 0.0011177400000000, -0.0024292300000000 ] - [ 0.0001349800000000, -0.0000068400000000, -0.0000521200000000 ] - [ -0.0006462500000000, -0.0008881200000000, -0.0067659000000000 ] - [ 0.0001334300000000, -0.0002658300000000, -0.0000230200000000 ] - [ 0.0027930900000000, -0.0022004300000000, -0.0057297900000000 ] - [ 0.0001846700000000, 0.0000601000000000, 0.0001539500000000 ] - [ 0.0003649900000000, 0.0003180500000000, 0.0010816500000000 ] - [ 0.0000728400000000, 0.0000110800000000, 0.0000603700000000 ] - [ -0.0013049500000000, 0.0000714500000000, 0.0005606100000000 ] - [ 0.0001123900000000, 0.0001609600000000, 0.0002049800000000 ] - [ 0.0015061700000000, 0.0009073800000000, 0.0004505300000000 ] - [ 0.0001425400000000, -0.0001859900000000, -0.0001291400000000 ] - [ -0.0009093900000000, 0.0009499500000000, -0.0006172300000000 ] - [ 0.0002479000000000, 0.0001296700000000, -0.0001106800000000 ] - [ 0.0013965200000000, -0.0010737100000000, -0.0021034700000000 ] - [ -0.0000190300000000, 0.0001395000000000, -0.0003647600000000 ] - [ 0.0004234700000000, 0.0000205800000000, 0.0007681200000000 ] - [ 0.0001042600000000, -0.0000863800000000, -0.0001474100000000 ] - [ 0.0000581600000000, -0.0000804600000000, 0.0005764700000000 ] - [ 0.0003776500000000, -0.0001913500000000, 0.0003915000000000 ] - [ -0.0007426800000000, -0.0006735300000000, -0.0014054800000000 ] - [ 0.0011052100000000, -0.0000075500000000, -0.0002023600000000 ] - [ 0.0003448000000000, 0.0002882600000000, 0.0001729200000000 ] - [ -0.0006153800000000, -0.0003242400000000, 0.0000634800000000 ]- atom: 3 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ -0.0011969800000000, 0.0000067500000000, 0.0005346700000000 ] - [ 0.0002783600000000, 0.0001430000000000, 0.0000471300000000 ] - [ -0.0299472200000000, -0.0061533300000000, 0.0058094500000000 ] - [ 0.0004843700000000, 0.0002742500000000, -0.0000268700000000 ] - [ -0.0004650500000000, 0.0004423200000000, 0.0000277500000000 ] - [ 0.0002259100000000, 0.0000032000000000, -0.0002446100000000 ] - [ 0.0002212400000000, 0.0004254000000000, -0.0001389300000000 ] - [ 0.0004076700000000, 0.0000884900000000, 0.0000186900000000 ] - [ 0.0027968200000000, -0.0019937900000000, 0.0020966800000000 ] - [ 0.0014644500000000, 0.0002104400000000, -0.0004382600000000 ] - [ 0.0012855000000000, 0.0003699600000000, -0.0001772800000000 ] - [ 0.0026895400000000, -0.0023001300000000, 0.0019926500000000 ] - [ 0.0001421300000000, 0.0001859700000000, -0.0004430200000000 ] - [ 0.0005860300000000, -0.0000403500000000, 0.0000780000000000 ] - [ -0.0019632800000000, -0.0009414600000000, 0.0001475300000000 ] - [ 0.0007276300000000, -0.0000042400000000, -0.0001045800000000 ] - [ -0.0018532100000000, -0.0009845800000000, 0.0001742600000000 ] - [ 0.0007549700000000, -0.0000629400000000, 0.0000866100000000 ] - [ -0.0016795900000000, -0.0001061900000000, 0.0009114400000000 ] - [ 0.0008037500000000, 0.0001226500000000, -0.0000168400000000 ] - [ 0.0013425500000000, 0.0005938700000000, -0.0005389800000000 ] - [ 0.0011673200000000, 0.0011286700000000, 0.0002573700000000 ] - [ 0.0016649600000000, 0.0002962000000000, 0.0005018400000000 ] - [ 0.0015903700000000, -0.0007386100000000, -0.0004202600000000 ] - [ 0.0008219900000000, -0.0004120900000000, -0.0009757700000000 ] - [ 0.0009556700000000, 0.0002903000000000, -0.0005017300000000 ] - [ -0.0013164400000000, 0.0019718700000000, 0.0013272900000000 ] - [ 0.0017192000000000, -0.0004425200000000, -0.0005994300000000 ] - [ 0.0032658100000000, 0.0167712500000000, 0.0014157500000000 ] - [ 0.0016136200000000, -0.0001513100000000, 0.0000202700000000 ] - [ 0.0018354500000000, 0.0000887500000000, -0.0122206600000000 ] - [ 0.0017588300000000, -0.0005573800000000, -0.0003175200000000 ] - [ -0.0064018800000000, 0.0020910300000000, -0.0007101300000000 ] - [ 0.0016419500000000, -0.0006917000000000, 0.0004150600000000 ] - [ -0.0024813300000000, 0.0007560600000000, -0.0006026500000000 ] - [ 0.0014589400000000, 0.0000206800000000, -0.0002047500000000 ] - [ -0.0061349400000000, 0.0010897400000000, -0.0021916000000000 ] - [ 0.0018330000000000, -0.0004221600000000, 0.0005158600000000 ] - [ 0.0024624900000000, 0.0138839700000000, 0.0002634200000000 ] - [ 0.0017130400000000, 0.0002463300000000, 0.0006746900000000 ] - [ 0.0026264000000000, -0.0007957800000000, -0.0155796700000000 ] - [ 0.0017552900000000, -0.0000184000000000, 0.0001569900000000 ] - [ -0.0015409400000000, -0.0014412200000000, -0.0016747100000000 ] - [ 0.0014224800000000, 0.0006347400000000, 0.0002092100000000 ] - [ 0.0001923900000000, 0.0003686500000000, 0.0001534600000000 ] - [ -0.0008054300000000, -0.0005368300000000, 0.0001316600000000 ] - [ -0.0009990000000000, -0.0010940000000000, -0.0002626800000000 ] - [ -0.0010293300000000, 0.0002582600000000, -0.0000437500000000 ] - [ -0.0015137800000000, -0.0001518100000000, 0.0015996400000000 ] - [ -0.0013653000000000, -0.0000953300000000, -0.0003256000000000 ] - [ -0.0002566500000000, -0.0001191300000000, -0.0000250000000000 ] - [ -0.0002994500000000, 0.0001128100000000, 0.0004326600000000 ] - [ -0.0002486900000000, -0.0002958600000000, -0.0001109300000000 ] - [ -0.0002127300000000, 0.0002939800000000, 0.0001850100000000 ] - [ -0.0011136500000000, 0.0002976700000000, -0.0000587300000000 ] - [ -0.0015791800000000, -0.0017093900000000, 0.0001144000000000 ] - [ -0.0010342800000000, 0.0000821800000000, -0.0002528300000000 ] - [ -0.0007623500000000, 0.0003136800000000, 0.0010721200000000 ] - [ -0.0009107800000000, -0.0000602400000000, 0.0004520600000000 ] - [ 0.0001616600000000, -0.0001636500000000, -0.0005263600000000 ] - [ -0.0003534700000000, -0.0002094200000000, 0.0015422900000000 ] - [ -0.0009287200000000, 0.0001325000000000, 0.0002961800000000 ] - [ 0.0003407200000000, -0.0015705500000000, -0.0001959400000000 ] - [ -0.0008266600000000, 0.0000844700000000, 0.0000921800000000 ] - [ -0.0007135600000000, 0.0011553600000000, 0.0010281600000000 ] - [ -0.0009833900000000, 0.0001123700000000, 0.0001232800000000 ] - [ -0.0014642400000000, -0.0052841600000000, 0.0025130600000000 ] - [ -0.0006476500000000, 0.0003161400000000, 0.0000272200000000 ] - [ 0.0003297000000000, -0.0022533600000000, -0.0022667900000000 ] - [ -0.0002555500000000, 0.0001106600000000, 0.0001194500000000 ] - [ 0.0014207600000000, -0.0003679000000000, -0.0005713000000000 ] - [ -0.0007717500000000, -0.0000471500000000, 0.0002677000000000 ] - [ 0.0014523100000000, -0.0013082800000000, 0.0016013400000000 ] - [ -0.0008916700000000, 0.0002640400000000, -0.0000439600000000 ] - [ 0.0026003200000000, 0.0002079200000000, -0.0010864200000000 ] - [ -0.0012258100000000, 0.0001426600000000, 0.0000950000000000 ] - [ 0.0070240200000000, -0.0006449800000000, 0.0012389800000000 ] - [ -0.0011077000000000, 0.0002265500000000, 0.0000785600000000 ] - [ 0.0015013600000000, -0.0010231100000000, 0.0001587900000000 ] - [ -0.0006844200000000, 0.0000626500000000, -0.0000709200000000 ] - [ 0.0077000700000000, -0.0015689400000000, 0.0014153600000000 ] - [ -0.0009815300000000, 0.0000404500000000, -0.0001358800000000 ] - [ 0.0007331600000000, -0.0008185300000000, 0.0005894800000000 ] - [ -0.0005278000000000, 0.0000661000000000, -0.0000564200000000 ] - [ 0.0006425800000000, -0.0007439300000000, 0.0008764900000000 ] - [ -0.0003013900000000, 0.0001273800000000, -0.0000516400000000 ] - [ 0.0071485800000000, -0.0020028300000000, 0.0014842700000000 ] - [ -0.0009765200000000, 0.0001329500000000, 0.0000038300000000 ] - [ 0.0013700300000000, -0.0003028500000000, 0.0010391800000000 ] - [ -0.0008229400000000, -0.0000454000000000, -0.0001884800000000 ] - [ 0.0073307900000000, -0.0013578900000000, 0.0006892700000000 ] - [ -0.0010608100000000, 0.0001138400000000, -0.0000647400000000 ] - [ 0.0023030300000000, 0.0009132600000000, -0.0005080700000000 ] - [ -0.0011580900000000, 0.0000329400000000, -0.0001576500000000 ] - [ 0.0015422800000000, -0.0015343800000000, 0.0014949100000000 ] - [ -0.0006226800000000, 0.0000900300000000, -0.0002761200000000 ] - [ 0.0012467300000000, 0.0003702600000000, 0.0000918100000000 ] - [ -0.0007297700000000, -0.0004019600000000, -0.0000948000000000 ] - [ 0.0002075600000000, 0.0017954500000000, 0.0019860900000000 ] - [ -0.0003860100000000, -0.0001775900000000, -0.0001300000000000 ] - [ -0.0019157100000000, -0.0034137000000000, 0.0049351400000000 ] - [ -0.0004978000000000, -0.0000160800000000, -0.0001416100000000 ] - [ -0.0005516900000000, -0.0011637600000000, -0.0013646000000000 ] - [ -0.0008074400000000, -0.0000636700000000, -0.0001587600000000 ] - [ 0.0003274700000000, 0.0002576200000000, 0.0018425800000000 ] - [ -0.0007373100000000, -0.0002738500000000, 0.0000524200000000 ] - [ -0.0000880500000000, -0.0014608200000000, -0.0000424800000000 ] - [ -0.0009616400000000, -0.0000792100000000, -0.0001659400000000 ]- atom: 3 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ 0.0009300000000000, 0.0003122100000000, -0.0005442600000000 ] - [ -0.0005521900000000, 0.0001753600000000, -0.0000553000000000 ] - [ 0.0300813600000000, 0.0064492400000000, -0.0055601500000000 ] - [ -0.0002898000000000, -0.0000154200000000, 0.0002521300000000 ] - [ 0.0002696600000000, -0.0001836600000000, -0.0002541100000000 ] - [ -0.0004195800000000, 0.0002556500000000, 0.0000185300000000 ] - [ 0.0000549300000000, -0.0001061900000000, 0.0001491600000000 ] - [ -0.0001314800000000, 0.0002304400000000, -0.0000086100000000 ] - [ -0.0025807100000000, 0.0020066300000000, -0.0020881900000000 ] - [ -0.0012816500000000, -0.0001877100000000, 0.0004369700000000 ] - [ -0.0014667400000000, -0.0004215100000000, 0.0002769600000000 ] - [ -0.0029066700000000, 0.0022603600000000, -0.0019043500000000 ] - [ 0.0000411100000000, -0.0002343300000000, 0.0003435200000000 ] - [ -0.0004018700000000, -0.0000101100000000, -0.0001771000000000 ] - [ 0.0017961700000000, 0.0009659900000000, -0.0001455200000000 ] - [ -0.0009090700000000, 0.0000282000000000, 0.0001049100000000 ] - [ 0.0018152500000000, 0.0010151200000000, -0.0000764700000000 ] - [ -0.0007825000000000, 0.0000958700000000, 0.0000111900000000 ] - [ 0.0016972500000000, 0.0001397400000000, -0.0010081900000000 ] - [ -0.0007752000000000, -0.0000904200000000, -0.0000797000000000 ] - [ -0.0010764100000000, -0.0005195700000000, 0.0005147400000000 ] - [ -0.0008963200000000, -0.0010480000000000, -0.0002814100000000 ] - [ -0.0016329200000000, -0.0004842600000000, -0.0006088300000000 ] - [ -0.0015627300000000, 0.0005461600000000, 0.0003163900000000 ] - [ -0.0013342600000000, 0.0002669100000000, 0.0008950200000000 ] - [ -0.0014620900000000, -0.0004331600000000, 0.0004125600000000 ] - [ 0.0018329400000000, -0.0021185600000000, -0.0012472200000000 ] - [ -0.0012065200000000, 0.0002976200000000, 0.0006835800000000 ] - [ -0.0033236300000000, -0.0171186800000000, -0.0013086600000000 ] - [ -0.0016413700000000, -0.0000417100000000, 0.0000870200000000 ] - [ -0.0020949400000000, -0.0000165300000000, 0.0123511700000000 ] - [ -0.0020263200000000, 0.0006383700000000, 0.0003434700000000 ] - [ 0.0064580100000000, -0.0022306900000000, 0.0009631000000000 ] - [ -0.0016022200000000, 0.0006004800000000, -0.0002008600000000 ] - [ 0.0025845000000000, -0.0007657300000000, 0.0003408300000000 ] - [ -0.0013575300000000, -0.0000285500000000, -0.0000533500000000 ] - [ 0.0064026400000000, -0.0009905100000000, 0.0019777600000000 ] - [ -0.0015526900000000, 0.0004786500000000, -0.0006837500000000 ] - [ -0.0027425700000000, -0.0136960800000000, -0.0001051200000000 ] - [ -0.0019906900000000, -0.0001900400000000, -0.0005057800000000 ] - [ -0.0027102000000000, 0.0007969100000000, 0.0156978600000000 ] - [ -0.0018564100000000, 0.0000122000000000, 0.0001027100000000 ] - [ 0.0014997700000000, 0.0013451000000000, 0.0014605900000000 ] - [ -0.0014580300000000, -0.0007285000000000, -0.0004231900000000 ] - [ -0.0000265800000000, -0.0005287700000000, -0.0000668700000000 ] - [ 0.0009688300000000, 0.0003759800000000, -0.0000449500000000 ] - [ 0.0011271000000000, 0.0011365100000000, 0.0001808400000000 ] - [ 0.0011539400000000, -0.0002174300000000, -0.0000414200000000 ] - [ 0.0013853100000000, -0.0000684600000000, -0.0016307900000000 ] - [ 0.0012353500000000, -0.0001249400000000, 0.0002993900000000 ] - [ 0.0001377600000000, 0.0000992200000000, 0.0001854300000000 ] - [ 0.0001804500000000, -0.0001305900000000, -0.0002695500000000 ] - [ 0.0003546800000000, 0.0006169000000000, 0.0001310800000000 ] - [ 0.0003185700000000, 0.0000284300000000, -0.0001667800000000 ] - [ 0.0012330400000000, -0.0003056000000000, -0.0000462800000000 ] - [ 0.0017011200000000, 0.0016957800000000, -0.0002208300000000 ] - [ 0.0011598500000000, 0.0000458200000000, 0.0003928200000000 ] - [ 0.0008863600000000, -0.0001841200000000, -0.0009289100000000 ] - [ 0.0008932200000000, 0.0000789100000000, -0.0006002300000000 ] - [ -0.0001768900000000, 0.0001816700000000, 0.0003787400000000 ] - [ 0.0003684500000000, 0.0002290500000000, -0.0013935500000000 ] - [ 0.0009500500000000, -0.0001137300000000, -0.0001504100000000 ] - [ -0.0004721500000000, 0.0017029600000000, 0.0000507100000000 ] - [ 0.0007029800000000, 0.0000431500000000, -0.0002344100000000 ] - [ 0.0005911800000000, -0.0011727800000000, -0.0009298400000000 ] - [ 0.0008606200000000, -0.0001286300000000, -0.0000171200000000 ] - [ 0.0007939700000000, 0.0055802400000000, -0.0025061700000000 ] - [ 0.0005438100000000, 0.0000104800000000, -0.0000442800000000 ] - [ -0.0002115200000000, 0.0022430900000000, 0.0021068500000000 ] - [ 0.0003786900000000, -0.0001290800000000, -0.0002865700000000 ] - [ -0.0012880500000000, 0.0001466300000000, 0.0006049900000000 ] - [ 0.0009107400000000, -0.0001735600000000, -0.0002408200000000 ] - [ -0.0015798100000000, 0.0013584100000000, -0.0015242500000000 ] - [ 0.0007748300000000, -0.0002193000000000, 0.0001294000000000 ] - [ -0.0027827800000000, -0.0003736600000000, 0.0010078100000000 ] - [ 0.0010579100000000, -0.0003040000000000, -0.0001809700000000 ] - [ -0.0070046100000000, 0.0006951800000000, -0.0010687800000000 ] - [ 0.0011734400000000, -0.0001834500000000, 0.0001147800000000 ] - [ -0.0014645500000000, 0.0008533500000000, -0.0003400000000000 ] - [ 0.0007275600000000, -0.0002352100000000, -0.0001103900000000 ] - [ -0.0078733800000000, 0.0015162100000000, -0.0013415800000000 ] - [ 0.0008501900000000, -0.0001195900000000, 0.0002169600000000 ] - [ -0.0009192900000000, 0.0007814300000000, -0.0005373200000000 ] - [ 0.0003419100000000, -0.0000995100000000, 0.0001058700000000 ] - [ -0.0005619000000000, 0.0007711000000000, -0.0008599400000000 ] - [ 0.0003823300000000, -0.0001025100000000, 0.0000715000000000 ] - [ -0.0072100700000000, 0.0017065500000000, -0.0013262500000000 ] - [ 0.0008749500000000, -0.0004213500000000, 0.0001220000000000 ] - [ -0.0015870600000000, 0.0002784200000000, -0.0009683500000000 ] - [ 0.0006024400000000, 0.0000215900000000, 0.0002533800000000 ] - [ -0.0071695000000000, 0.0014822900000000, -0.0005382000000000 ] - [ 0.0011690600000000, 0.0000318900000000, 0.0002065800000000 ] - [ -0.0023989500000000, -0.0007615100000000, 0.0003630700000000 ] - [ 0.0010489500000000, 0.0001129600000000, 0.0000193000000000 ] - [ -0.0013053900000000, 0.0015042100000000, -0.0015571300000000 ] - [ 0.0008497200000000, -0.0001125000000000, 0.0002093800000000 ] - [ -0.0011390700000000, -0.0006498500000000, -0.0002173500000000 ] - [ 0.0008332900000000, 0.0001202800000000, -0.0000306900000000 ] - [ -0.0002799200000000, -0.0017734600000000, -0.0020025800000000 ] - [ 0.0003095900000000, 0.0001969800000000, 0.0001045000000000 ] - [ 0.0025958500000000, 0.0033936300000000, -0.0049997500000000 ] - [ 0.0006870400000000, -0.0000196300000000, 0.0000949200000000 ] - [ 0.0006917300000000, 0.0010759700000000, 0.0012857100000000 ] - [ 0.0009445800000000, -0.0000148600000000, 0.0000799100000000 ] - [ -0.0003597400000000, -0.0004353000000000, -0.0016616600000000 ] - [ 0.0006970900000000, 0.0000974200000000, 0.0001261500000000 ] - [ 0.0000290300000000, 0.0015089100000000, -0.0001498300000000 ] - [ 0.0008953600000000, 0.0001244800000000, -0.0000273700000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003124900000000, -0.0003900000000000, 0.0004864800000000 ] - [ 0.0000012100000000, 0.0001525500000000, 0.0000038100000000 ] - [ -0.0062042000000000, -0.0299186100000000, 0.0065002700000000 ] - [ 0.0002421700000000, 0.0001758200000000, 0.0000608900000000 ] - [ -0.0004100400000000, 0.0008998800000000, 0.0001502700000000 ] - [ 0.0000289000000000, 0.0001056900000000, -0.0001725000000000 ] - [ 0.0001994800000000, 0.0004796700000000, -0.0002027600000000 ] - [ 0.0002220200000000, 0.0001783000000000, 0.0000213400000000 ] - [ -0.0015312600000000, -0.0009907600000000, 0.0003744500000000 ] - [ 0.0006230900000000, -0.0000497600000000, -0.0001412300000000 ] - [ 0.0004137100000000, -0.0001147300000000, -0.0001386200000000 ] - [ -0.0015673100000000, -0.0009324400000000, 0.0002613600000000 ] - [ 0.0004281500000000, 0.0003484500000000, -0.0003675700000000 ] - [ 0.0000899500000000, 0.0001483600000000, 0.0000820100000000 ] - [ -0.0022002100000000, 0.0041646200000000, 0.0017769000000000 ] - [ 0.0002792900000000, 0.0000336600000000, -0.0000250000000000 ] - [ -0.0022162000000000, 0.0041978900000000, 0.0016748500000000 ] - [ 0.0003195000000000, -0.0000045300000000, 0.0000824700000000 ] - [ -0.0005134600000000, -0.0010118400000000, 0.0010196300000000 ] - [ 0.0003019300000000, 0.0000248400000000, -0.0000195000000000 ] - [ 0.0010215600000000, 0.0011573800000000, -0.0002617700000000 ] - [ 0.0007784300000000, 0.0011469400000000, 0.0001082100000000 ] - [ 0.0014569100000000, -0.0001875100000000, 0.0006407300000000 ] - [ -0.0002820600000000, -0.0002062500000000, -0.0000792800000000 ] - [ -0.0000900700000000, -0.0009685300000000, -0.0003828200000000 ] - [ 0.0003706300000000, -0.0002703000000000, -0.0004148800000000 ] - [ -0.0003548600000000, 0.0036381700000000, 0.0005231900000000 ] - [ 0.0008890600000000, -0.0001072600000000, -0.0003112900000000 ] - [ 0.0135688500000000, 0.0044151700000000, 0.0010993800000000 ] - [ 0.0004681500000000, -0.0000424300000000, 0.0000730600000000 ] - [ 0.0005007600000000, -0.0038359200000000, -0.0007308200000000 ] - [ 0.0004784700000000, -0.0004150000000000, 0.0000107000000000 ] - [ -0.0014013500000000, 0.0045782500000000, -0.0128256700000000 ] - [ 0.0006655600000000, -0.0003010200000000, 0.0002001400000000 ] - [ -0.0004059500000000, 0.0023605500000000, -0.0013714900000000 ] - [ 0.0006064900000000, 0.0000548900000000, -0.0001672400000000 ] - [ -0.0011464800000000, 0.0042777700000000, -0.0164092100000000 ] - [ 0.0008040500000000, -0.0001351100000000, 0.0001545700000000 ] - [ 0.0160461500000000, 0.0042534700000000, 0.0003850800000000 ] - [ 0.0004616500000000, 0.0001963100000000, 0.0002288000000000 ] - [ 0.0001490200000000, -0.0046404100000000, -0.0011212500000000 ] - [ 0.0005515100000000, -0.0000883100000000, 0.0001297600000000 ] - [ -0.0014131700000000, -0.0006413700000000, -0.0012415700000000 ] - [ 0.0006370600000000, 0.0002324400000000, -0.0000139200000000 ] - [ 0.0007981500000000, 0.0004540100000000, 0.0001283200000000 ] - [ -0.0004063800000000, -0.0001603700000000, 0.0001357100000000 ] - [ -0.0016439200000000, -0.0003436800000000, -0.0002085500000000 ] - [ -0.0001302900000000, -0.0000923300000000, -0.0000524900000000 ] - [ -0.0005608600000000, 0.0000630500000000, 0.0005570800000000 ] - [ -0.0003886500000000, 0.0000114800000000, 0.0000261900000000 ] - [ -0.0002130800000000, 0.0002675000000000, -0.0002408400000000 ] - [ -0.0000781200000000, 0.0001820300000000, 0.0001039200000000 ] - [ -0.0000736800000000, -0.0003183900000000, -0.0001854700000000 ] - [ -0.0000672500000000, -0.0001097300000000, 0.0001525100000000 ] - [ -0.0000747600000000, -0.0002995700000000, -0.0001736200000000 ] - [ -0.0013120200000000, -0.0007534900000000, 0.0001450300000000 ] - [ -0.0001757800000000, 0.0004537700000000, -0.0000586200000000 ] - [ -0.0004514600000000, 0.0004233400000000, 0.0004824900000000 ] - [ -0.0004321400000000, -0.0001355600000000, 0.0002865300000000 ] - [ 0.0000399500000000, -0.0003123200000000, -0.0003547200000000 ] - [ -0.0004562600000000, 0.0001665600000000, 0.0008065200000000 ] - [ -0.0002185600000000, 0.0001223200000000, 0.0000799200000000 ] - [ -0.0004562800000000, -0.0017386400000000, -0.0003450400000000 ] - [ -0.0005155400000000, -0.0000761800000000, 0.0000168800000000 ] - [ 0.0011071300000000, 0.0010261300000000, -0.0008089800000000 ] - [ -0.0006400600000000, 0.0002581100000000, 0.0000372600000000 ] - [ -0.0012955000000000, 0.0064181600000000, 0.0007050500000000 ] - [ -0.0002675600000000, 0.0002696000000000, -0.0000029800000000 ] - [ -0.0008961700000000, -0.0019888900000000, -0.0017494400000000 ] - [ -0.0000430600000000, -0.0000290800000000, -0.0000036100000000 ] - [ 0.0003688300000000, -0.0005697300000000, 0.0001149000000000 ] - [ -0.0002390500000000, -0.0001241800000000, 0.0001489200000000 ] - [ -0.0013824700000000, 0.0005443200000000, 0.0012788300000000 ] - [ -0.0003378200000000, 0.0001341600000000, -0.0000160800000000 ] - [ 0.0018160400000000, -0.0019995300000000, 0.0009506200000000 ] - [ -0.0005668200000000, 0.0000009600000000, 0.0000508700000000 ] - [ -0.0004805800000000, 0.0065555700000000, 0.0014437300000000 ] - [ -0.0003876800000000, 0.0001372400000000, 0.0000816100000000 ] - [ 0.0005508800000000, -0.0019521200000000, 0.0006186000000000 ] - [ -0.0002737600000000, -0.0000447500000000, -0.0000708800000000 ] - [ -0.0026707200000000, -0.0026079500000000, 0.0051800600000000 ] - [ -0.0004122700000000, -0.0000235400000000, -0.0000349200000000 ] - [ 0.0001552100000000, -0.0026753700000000, 0.0011269100000000 ] - [ -0.0002723900000000, -0.0000115900000000, -0.0000126300000000 ] - [ 0.0001028700000000, -0.0012155000000000, 0.0015645700000000 ] - [ -0.0000898900000000, 0.0000399900000000, -0.0000068000000000 ] - [ -0.0007327600000000, 0.0052914800000000, 0.0012891700000000 ] - [ -0.0003934300000000, -0.0000183300000000, 0.0000490500000000 ] - [ 0.0004619300000000, -0.0006489200000000, 0.0020193700000000 ] - [ -0.0004025400000000, -0.0000397000000000, -0.0000482800000000 ] - [ -0.0052011500000000, -0.0019942400000000, 0.0024831500000000 ] - [ -0.0003635100000000, 0.0000771800000000, 0.0000374000000000 ] - [ 0.0019194200000000, -0.0001338600000000, 0.0015567700000000 ] - [ -0.0005242400000000, 0.0000630600000000, -0.0000833400000000 ] - [ -0.0006609900000000, 0.0007927000000000, 0.0018494300000000 ] - [ -0.0001588100000000, 0.0000338700000000, -0.0001165800000000 ] - [ 0.0004054800000000, -0.0006739500000000, 0.0001523900000000 ] - [ -0.0002659000000000, -0.0002754200000000, -0.0000774900000000 ] - [ 0.0009610000000000, 0.0014396500000000, -0.0005133000000000 ] - [ -0.0001857100000000, -0.0000099000000000, -0.0000509300000000 ] - [ -0.0010695800000000, 0.0066907200000000, 0.0009079800000000 ] - [ -0.0001301600000000, 0.0000192800000000, -0.0000761000000000 ] - [ -0.0015111200000000, -0.0002880700000000, -0.0016636200000000 ] - [ -0.0000962400000000, -0.0000184600000000, -0.0000324900000000 ] - [ -0.0000245700000000, 0.0006875900000000, 0.0009085400000000 ] - [ -0.0003182600000000, -0.0001110200000000, 0.0001042600000000 ] - [ -0.0007617900000000, -0.0026147400000000, -0.0001297800000000 ] - [ -0.0005299300000000, -0.0001837100000000, -0.0001129400000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000365900000000, 0.0007149600000000, -0.0004955700000000 ] - [ -0.0002763000000000, 0.0001662300000000, -0.0000120800000000 ] - [ 0.0063920200000000, 0.0301550300000000, -0.0062930900000000 ] - [ -0.0000472900000000, 0.0000836200000000, 0.0001646000000000 ] - [ 0.0002155300000000, -0.0006404700000000, -0.0003749800000000 ] - [ -0.0002239100000000, 0.0001535600000000, -0.0000537600000000 ] - [ 0.0000757900000000, -0.0001603500000000, 0.0002129700000000 ] - [ 0.0000529200000000, 0.0001406400000000, -0.0000111700000000 ] - [ 0.0017114600000000, 0.0010253100000000, -0.0003776200000000 ] - [ -0.0004399700000000, 0.0000738200000000, 0.0001383300000000 ] - [ -0.0005971800000000, 0.0000619200000000, 0.0002367500000000 ] - [ 0.0013857600000000, 0.0008704500000000, -0.0001645100000000 ] - [ -0.0002478600000000, -0.0003968200000000, 0.0002684000000000 ] - [ 0.0000936900000000, -0.0001983600000000, -0.0001810800000000 ] - [ 0.0020070600000000, -0.0041041800000000, -0.0017658100000000 ] - [ -0.0004608200000000, -0.0000093500000000, 0.0000258200000000 ] - [ 0.0021986600000000, -0.0042029600000000, -0.0015890000000000 ] - [ -0.0003478100000000, 0.0000379700000000, 0.0000158700000000 ] - [ 0.0005414000000000, 0.0010341200000000, -0.0011153800000000 ] - [ -0.0002743400000000, 0.0000073900000000, -0.0000774900000000 ] - [ -0.0007490200000000, -0.0010783700000000, 0.0002373100000000 ] - [ -0.0005107800000000, -0.0010683600000000, -0.0001308600000000 ] - [ -0.0014236200000000, -0.0000052100000000, -0.0007460300000000 ] - [ 0.0003077100000000, 0.0000137700000000, -0.0000258300000000 ] - [ -0.0004243000000000, 0.0008247500000000, 0.0003014800000000 ] - [ -0.0008778200000000, 0.0001272400000000, 0.0003299800000000 ] - [ 0.0008636300000000, -0.0037844400000000, -0.0004422200000000 ] - [ -0.0003745200000000, -0.0000371000000000, 0.0003947900000000 ] - [ -0.0137365600000000, -0.0046092700000000, -0.0009849100000000 ] - [ -0.0004981400000000, -0.0001483100000000, 0.0000338600000000 ] - [ -0.0007270400000000, 0.0039040700000000, 0.0007208300000000 ] - [ -0.0007493300000000, 0.0004930300000000, 0.0000152600000000 ] - [ 0.0014518100000000, -0.0046753000000000, 0.0129213100000000 ] - [ -0.0006253000000000, 0.0002091700000000, 0.0000143500000000 ] - [ 0.0005066300000000, -0.0023708400000000, 0.0011154200000000 ] - [ -0.0005044300000000, -0.0000612000000000, -0.0000894300000000 ] - [ 0.0014175100000000, -0.0042375300000000, 0.0163802400000000 ] - [ -0.0005246000000000, 0.0001917600000000, -0.0003210200000000 ] - [ -0.0161778900000000, -0.0041775300000000, -0.0002275400000000 ] - [ -0.0007376700000000, -0.0001409000000000, -0.0000608800000000 ] - [ -0.0002937100000000, 0.0046497600000000, 0.0014236200000000 ] - [ -0.0006503200000000, 0.0000838000000000, 0.0001289100000000 ] - [ 0.0013757800000000, 0.0005500300000000, 0.0010265800000000 ] - [ -0.0006737100000000, -0.0003247400000000, -0.0001993400000000 ] - [ -0.0006351600000000, -0.0006149400000000, -0.0000418400000000 ] - [ 0.0005691700000000, -0.0000003200000000, -0.0000496100000000 ] - [ 0.0017588200000000, 0.0003914100000000, 0.0001264100000000 ] - [ 0.0002500500000000, 0.0001367400000000, -0.0000308600000000 ] - [ 0.0004314100000000, -0.0002817700000000, -0.0005922100000000 ] - [ 0.0002502900000000, -0.0002309700000000, -0.0000583400000000 ] - [ 0.0000919400000000, -0.0002855600000000, 0.0004008900000000 ] - [ -0.0000427500000000, -0.0001990600000000, 0.0000591400000000 ] - [ 0.0001773200000000, 0.0006404800000000, 0.0002049800000000 ] - [ 0.0001719300000000, 0.0004329800000000, -0.0001338900000000 ] - [ 0.0001957400000000, 0.0002868600000000, 0.0000683000000000 ] - [ 0.0014342100000000, 0.0007348700000000, -0.0002517500000000 ] - [ 0.0003039400000000, -0.0003227000000000, 0.0002028400000000 ] - [ 0.0005751200000000, -0.0002926300000000, -0.0003384500000000 ] - [ 0.0004120400000000, 0.0001534400000000, -0.0004337400000000 ] - [ -0.0000543400000000, 0.0003302100000000, 0.0002054900000000 ] - [ 0.0004709800000000, -0.0001492700000000, -0.0006559900000000 ] - [ 0.0002382800000000, -0.0001042100000000, 0.0000667800000000 ] - [ 0.0003325100000000, 0.0018611300000000, 0.0002016900000000 ] - [ 0.0003887400000000, 0.0002040800000000, -0.0001596800000000 ] - [ -0.0012213400000000, -0.0010320800000000, 0.0009091800000000 ] - [ 0.0005139900000000, -0.0002717700000000, 0.0000685900000000 ] - [ 0.0012175600000000, -0.0061474400000000, -0.0007299700000000 ] - [ 0.0001632200000000, 0.0000558600000000, -0.0000141000000000 ] - [ 0.0010273000000000, 0.0019701100000000, 0.0015841600000000 ] - [ 0.0001649000000000, 0.0000100400000000, -0.0001626900000000 ] - [ -0.0002333200000000, 0.0003492000000000, -0.0000827000000000 ] - [ 0.0003764700000000, -0.0000956500000000, -0.0001204200000000 ] - [ 0.0012726800000000, -0.0005072500000000, -0.0011994500000000 ] - [ 0.0002193500000000, -0.0000891900000000, 0.0001009900000000 ] - [ -0.0019867000000000, 0.0018418300000000, -0.0010269600000000 ] - [ 0.0003965800000000, -0.0001604000000000, -0.0001364600000000 ] - [ 0.0005482600000000, -0.0065513800000000, -0.0012849800000000 ] - [ 0.0004521900000000, -0.0000942600000000, 0.0001118600000000 ] - [ -0.0005108700000000, 0.0017878900000000, -0.0007976000000000 ] - [ 0.0003146400000000, -0.0001274300000000, -0.0001109900000000 ] - [ 0.0025157500000000, 0.0019888900000000, -0.0050695700000000 ] - [ 0.0002779100000000, -0.0000549300000000, 0.0001158600000000 ] - [ -0.0003417600000000, 0.0026360800000000, -0.0010811900000000 ] - [ 0.0000850200000000, -0.0000210800000000, 0.0000620900000000 ] - [ -0.0000246200000000, 0.0012455100000000, -0.0015488100000000 ] - [ 0.0001690900000000, -0.0000139500000000, 0.0000273300000000 ] - [ 0.0006189600000000, -0.0055285600000000, -0.0011371600000000 ] - [ 0.0002895600000000, -0.0002682400000000, 0.0000770200000000 ] - [ -0.0006827800000000, 0.0006231700000000, -0.0019575800000000 ] - [ 0.0001798000000000, 0.0000161600000000, 0.0001137800000000 ] - [ 0.0053345600000000, 0.0026716200000000, -0.0023620500000000 ] - [ 0.0004696800000000, 0.0000688300000000, 0.0001034200000000 ] - [ -0.0020317400000000, 0.0002760100000000, -0.0017045100000000 ] - [ 0.0004132300000000, 0.0000825600000000, -0.0000543900000000 ] - [ 0.0008829500000000, -0.0008041100000000, -0.0019059700000000 ] - [ 0.0003835400000000, -0.0000555200000000, 0.0000495000000000 ] - [ -0.0003015200000000, 0.0003929900000000, -0.0002782900000000 ] - [ 0.0003672100000000, -0.0000065500000000, -0.0000485200000000 ] - [ -0.0010454200000000, -0.0014308600000000, 0.0004952600000000 ] - [ 0.0001077200000000, 0.0000297300000000, 0.0000251600000000 ] - [ 0.0012351900000000, -0.0066834300000000, -0.0009499100000000 ] - [ 0.0003167700000000, -0.0000535400000000, 0.0000294600000000 ] - [ 0.0016381500000000, 0.0002139700000000, 0.0015810000000000 ] - [ 0.0002326200000000, -0.0000589700000000, -0.0000458900000000 ] - [ -0.0000128800000000, -0.0008659500000000, -0.0007332200000000 ] - [ 0.0002763700000000, -0.0000648900000000, 0.0000745800000000 ] - [ 0.0006894900000000, 0.0026657800000000, -0.0000627900000000 ] - [ 0.0004623000000000, 0.0002296500000000, -0.0000802900000000 ]- atom: 3 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ 0.0009053900000000, 0.0010045600000000, 0.0020983200000000 ] - [ -0.0003169600000000, 0.0001786000000000, -0.0000157000000000 ] - [ 0.0059709100000000, 0.0065494100000000, -0.0310826900000000 ] - [ -0.0000453300000000, 0.0000764500000000, 0.0001558500000000 ] - [ 0.0000454600000000, -0.0001355700000000, -0.0002016200000000 ] - [ -0.0002312800000000, 0.0001895500000000, -0.0000840600000000 ] - [ -0.0000534800000000, -0.0000520700000000, 0.0002275600000000 ] - [ 0.0001304100000000, 0.0002449600000000, 0.0001161600000000 ] - [ 0.0015570200000000, 0.0002796500000000, -0.0009139300000000 ] - [ -0.0003485800000000, -0.0002035400000000, -0.0001257200000000 ] - [ -0.0006347500000000, -0.0001761900000000, -0.0000399600000000 ] - [ 0.0016494200000000, 0.0003118800000000, -0.0008940500000000 ] - [ -0.0000226100000000, -0.0003952200000000, 0.0004827800000000 ] - [ -0.0000370000000000, -0.0000007200000000, -0.0000087600000000 ] - [ 0.0003590200000000, 0.0011320800000000, -0.0010697900000000 ] - [ -0.0003823600000000, 0.0000328400000000, 0.0000070900000000 ] - [ 0.0002989600000000, 0.0010500600000000, -0.0009538700000000 ] - [ -0.0002457000000000, 0.0000192300000000, 0.0000467700000000 ] - [ 0.0020650900000000, 0.0018784300000000, 0.0040040300000000 ] - [ -0.0003554200000000, -0.0000110300000000, -0.0000341300000000 ] - [ -0.0004271900000000, -0.0003801400000000, -0.0001395800000000 ] - [ 0.0001296800000000, -0.0002516800000000, -0.0009672900000000 ] - [ 0.0002479800000000, -0.0002248000000000, -0.0000716300000000 ] - [ -0.0014995600000000, 0.0007051100000000, -0.0001347100000000 ] - [ -0.0009949100000000, 0.0000423800000000, 0.0011420000000000 ] - [ -0.0014656100000000, -0.0002422400000000, 0.0010055000000000 ] - [ 0.0014874700000000, -0.0017860700000000, -0.0002561000000000 ] - [ -0.0003724000000000, 0.0000366000000000, 0.0003026900000000 ] - [ 0.0002037800000000, -0.0007702200000000, -0.0045664500000000 ] - [ -0.0005393800000000, -0.0000621800000000, -0.0000160700000000 ] - [ -0.0148375100000000, 0.0008147800000000, 0.0047503600000000 ] - [ -0.0007280800000000, 0.0001744400000000, 0.0002552900000000 ] - [ 0.0017239100000000, -0.0164096500000000, 0.0056577400000000 ] - [ -0.0006132100000000, 0.0001995900000000, 0.0000155400000000 ] - [ 0.0004286900000000, -0.0019533400000000, 0.0020621800000000 ] - [ -0.0005037400000000, -0.0000268200000000, -0.0000523400000000 ] - [ 0.0016747600000000, -0.0142895600000000, 0.0048311800000000 ] - [ -0.0005153300000000, 0.0001755100000000, -0.0003302300000000 ] - [ -0.0007345700000000, -0.0009462600000000, -0.0042963600000000 ] - [ -0.0006786800000000, 0.0000706600000000, -0.0003744300000000 ] - [ -0.0134895000000000, 0.0009489200000000, 0.0042802900000000 ] - [ -0.0005886500000000, 0.0000200200000000, 0.0002522900000000 ] - [ 0.0008683600000000, 0.0007459300000000, 0.0032679300000000 ] - [ -0.0006645600000000, -0.0004253200000000, -0.0001237000000000 ] - [ 0.0000280100000000, -0.0004102100000000, -0.0002769700000000 ] - [ 0.0005411700000000, 0.0002882700000000, -0.0001202500000000 ] - [ 0.0006035500000000, 0.0004749600000000, 0.0003053400000000 ] - [ 0.0002587000000000, -0.0001299200000000, 0.0003781000000000 ] - [ 0.0015081600000000, 0.0000407500000000, -0.0007621200000000 ] - [ 0.0000957300000000, -0.0002271400000000, -0.0004126400000000 ] - [ 0.0000217000000000, 0.0001812200000000, -0.0002285100000000 ] - [ 0.0000751600000000, -0.0001889200000000, -0.0002887500000000 ] - [ 0.0000111800000000, 0.0002720300000000, 0.0001495200000000 ] - [ 0.0002455000000000, -0.0001569700000000, 0.0002428900000000 ] - [ 0.0003214100000000, 0.0000356600000000, 0.0000873800000000 ] - [ 0.0004361900000000, 0.0005067900000000, 0.0001055700000000 ] - [ 0.0002075200000000, 0.0000369900000000, 0.0000076200000000 ] - [ 0.0015773300000000, -0.0000392900000000, 0.0000265800000000 ] - [ 0.0004365800000000, 0.0000747900000000, -0.0001729100000000 ] - [ -0.0007585700000000, 0.0001321500000000, 0.0005190300000000 ] - [ 0.0012570000000000, 0.0001346800000000, -0.0024659700000000 ] - [ 0.0005341500000000, -0.0000532100000000, -0.0002164200000000 ] - [ -0.0000335400000000, 0.0007371800000000, 0.0006434300000000 ] - [ 0.0002359600000000, 0.0000808400000000, -0.0000815900000000 ] - [ 0.0016231300000000, -0.0016682700000000, 0.0000347100000000 ] - [ 0.0001173500000000, -0.0000003700000000, 0.0000776300000000 ] - [ 0.0008402300000000, 0.0010917900000000, 0.0062736200000000 ] - [ 0.0001720000000000, 0.0000917400000000, 0.0000197600000000 ] - [ -0.0007648300000000, -0.0002340000000000, 0.0013281100000000 ] - [ 0.0001925500000000, -0.0000515900000000, -0.0001088200000000 ] - [ -0.0002984400000000, 0.0001994900000000, -0.0006100000000000 ] - [ 0.0003992700000000, -0.0001324300000000, -0.0001210200000000 ] - [ 0.0009094700000000, 0.0016390800000000, 0.0005030100000000 ] - [ 0.0002405300000000, -0.0000677600000000, 0.0000799600000000 ] - [ -0.0025243900000000, 0.0019415100000000, 0.0000318500000000 ] - [ 0.0003954300000000, -0.0001355100000000, -0.0000884100000000 ] - [ 0.0043747700000000, 0.0033474300000000, -0.0008707400000000 ] - [ 0.0004533100000000, -0.0000349000000000, 0.0001023500000000 ] - [ -0.0003039800000000, 0.0015816900000000, -0.0004570600000000 ] - [ 0.0002951300000000, -0.0001371700000000, -0.0001193900000000 ] - [ 0.0002997200000000, 0.0014017700000000, 0.0062206800000000 ] - [ 0.0002609600000000, -0.0000586700000000, 0.0001307900000000 ] - [ -0.0002628300000000, 0.0015636000000000, -0.0008740700000000 ] - [ 0.0000697500000000, -0.0000439900000000, 0.0000485200000000 ] - [ 0.0000550600000000, 0.0014753000000000, -0.0031303200000000 ] - [ 0.0001839800000000, -0.0000334300000000, -0.0000002700000000 ] - [ 0.0030762700000000, 0.0053156500000000, -0.0011611700000000 ] - [ 0.0002879700000000, -0.0002547300000000, 0.0000683200000000 ] - [ -0.0008165800000000, 0.0010349800000000, -0.0021645900000000 ] - [ 0.0001882500000000, 0.0000161500000000, 0.0001101500000000 ] - [ 0.0004204800000000, 0.0012618700000000, 0.0063811000000000 ] - [ 0.0004447200000000, 0.0000476600000000, 0.0001615400000000 ] - [ -0.0019421400000000, 0.0011861400000000, -0.0014548700000000 ] - [ 0.0003896300000000, 0.0001291900000000, -0.0000127200000000 ] - [ 0.0014794100000000, 0.0012501900000000, 0.0008739600000000 ] - [ 0.0003568400000000, -0.0000734700000000, 0.0000733600000000 ] - [ -0.0002149800000000, 0.0000055200000000, -0.0005954900000000 ] - [ 0.0003490800000000, -0.0000049500000000, -0.0000843400000000 ] - [ 0.0008740300000000, -0.0017097400000000, -0.0017814300000000 ] - [ 0.0000711300000000, 0.0000982900000000, -0.0000531800000000 ] - [ 0.0011779300000000, 0.0005721800000000, 0.0060276800000000 ] - [ 0.0002939300000000, -0.0000234600000000, 0.0000588200000000 ] - [ -0.0009354800000000, -0.0007584800000000, 0.0009792400000000 ] - [ 0.0006340600000000, -0.0000963000000000, 0.0002473500000000 ] - [ 0.0003108100000000, -0.0004983700000000, -0.0019744200000000 ] - [ 0.0004399200000000, 0.0000363100000000, -0.0000397300000000 ] - [ 0.0002287700000000, 0.0008202300000000, 0.0002066900000000 ] - [ 0.0001349400000000, -0.0000198200000000, 0.0000151000000000 ]- atom: 3 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ -0.0011850000000000, -0.0006928600000000, -0.0021238600000000 ] - [ 0.0000415300000000, 0.0001395100000000, 0.0000083200000000 ] - [ -0.0057888200000000, -0.0063242900000000, 0.0312427100000000 ] - [ 0.0002397000000000, 0.0001823500000000, 0.0000700700000000 ] - [ -0.0002411800000000, 0.0003941700000000, -0.0000253000000000 ] - [ 0.0000360200000000, 0.0000694200000000, -0.0001418500000000 ] - [ 0.0003293100000000, 0.0003710100000000, -0.0002167100000000 ] - [ 0.0001442300000000, 0.0000739900000000, -0.0001053800000000 ] - [ -0.0013766600000000, -0.0002565200000000, 0.0008989900000000 ] - [ 0.0005314900000000, 0.0002247600000000, 0.0001214600000000 ] - [ 0.0004503100000000, 0.0001237700000000, 0.0001397600000000 ] - [ -0.0018302800000000, -0.0003652100000000, 0.0010038100000000 ] - [ 0.0002032400000000, 0.0003454900000000, -0.0005807800000000 ] - [ 0.0002203700000000, -0.0000504800000000, -0.0000898600000000 ] - [ -0.0005379100000000, -0.0011072400000000, 0.0010590100000000 ] - [ 0.0001991300000000, -0.0000093500000000, -0.0000058000000000 ] - [ -0.0003254800000000, -0.0010192000000000, 0.0010647800000000 ] - [ 0.0002173500000000, 0.0000139800000000, 0.0000521500000000 ] - [ -0.0020243000000000, -0.0018355900000000, -0.0040668600000000 ] - [ 0.0003813300000000, 0.0000435900000000, -0.0000622800000000 ] - [ 0.0006917100000000, 0.0004578400000000, 0.0001164400000000 ] - [ 0.0001412200000000, 0.0003335400000000, 0.0009443600000000 ] - [ -0.0002151800000000, 0.0000351600000000, -0.0000349800000000 ] - [ 0.0015246800000000, -0.0008938600000000, 0.0000280300000000 ] - [ 0.0004846100000000, -0.0001859100000000, -0.0012239100000000 ] - [ 0.0009505800000000, 0.0000991100000000, -0.0010867900000000 ] - [ -0.0009783800000000, 0.0016442600000000, 0.0003413200000000 ] - [ 0.0008833700000000, -0.0001805600000000, -0.0002183500000000 ] - [ -0.0001897500000000, 0.0006340400000000, 0.0046916500000000 ] - [ 0.0005061500000000, -0.0001297200000000, 0.0001230100000000 ] - [ 0.0144383000000000, -0.0007353700000000, -0.0047017600000000 ] - [ 0.0004573300000000, -0.0000940700000000, -0.0002304400000000 ] - [ -0.0016811500000000, 0.0164611200000000, -0.0054793800000000 ] - [ 0.0006502800000000, -0.0002914700000000, 0.0001989900000000 ] - [ -0.0003267500000000, 0.0019499400000000, -0.0023239500000000 ] - [ 0.0006037400000000, 0.0000192000000000, -0.0002047900000000 ] - [ -0.0014022100000000, 0.0142151500000000, -0.0049977700000000 ] - [ 0.0007932900000000, -0.0001189300000000, 0.0001621900000000 ] - [ 0.0004041400000000, 0.0009603000000000, 0.0044549300000000 ] - [ 0.0004015300000000, -0.0000142800000000, 0.0005423400000000 ] - [ 0.0135137700000000, -0.0009445900000000, -0.0040212400000000 ] - [ 0.0004864400000000, -0.0000257200000000, 0.0000090600000000 ] - [ -0.0009025700000000, -0.0008424500000000, -0.0034824100000000 ] - [ 0.0006264800000000, 0.0003300700000000, -0.0000890900000000 ] - [ 0.0001331400000000, 0.0002493500000000, 0.0003651500000000 ] - [ -0.0003777300000000, -0.0004474800000000, 0.0002068700000000 ] - [ -0.0004780700000000, -0.0004310400000000, -0.0003858300000000 ] - [ -0.0001398900000000, 0.0001736400000000, -0.0004598300000000 ] - [ -0.0016429200000000, -0.0002620500000000, 0.0007250800000000 ] - [ -0.0002299900000000, 0.0000065700000000, 0.0003801200000000 ] - [ -0.0001423900000000, -0.0002012100000000, 0.0003900200000000 ] - [ -0.0001951500000000, 0.0001697900000000, 0.0004526100000000 ] - [ 0.0000930800000000, 0.0000485300000000, -0.0001278000000000 ] - [ -0.0001404400000000, 0.0004775600000000, -0.0002224900000000 ] - [ -0.0001973300000000, -0.0000488800000000, -0.0001922600000000 ] - [ -0.0003195400000000, -0.0005258800000000, -0.0002102900000000 ] - [ -0.0000801400000000, 0.0000929000000000, 0.0001366300000000 ] - [ -0.0014441900000000, 0.0001689900000000, 0.0001230000000000 ] - [ -0.0004556100000000, -0.0000566300000000, 0.0000239700000000 ] - [ 0.0007434100000000, -0.0001150100000000, -0.0006682900000000 ] - [ -0.0012336700000000, -0.0001164200000000, 0.0026165600000000 ] - [ -0.0005151500000000, 0.0000716300000000, 0.0003640400000000 ] - [ -0.0000964200000000, -0.0006128300000000, -0.0007887600000000 ] - [ -0.0003603000000000, 0.0000464700000000, -0.0000605000000000 ] - [ -0.0017360400000000, 0.0016447900000000, 0.0000781000000000 ] - [ -0.0002423500000000, -0.0000162000000000, 0.0000296800000000 ] - [ -0.0009244100000000, -0.0007662300000000, -0.0062552300000000 ] - [ -0.0002760900000000, 0.0002343000000000, -0.0000358800000000 ] - [ 0.0008916200000000, 0.0002175600000000, -0.0015066400000000 ] - [ -0.0000706900000000, 0.0000324700000000, -0.0000583100000000 ] - [ 0.0004335800000000, -0.0004211900000000, 0.0006414500000000 ] - [ -0.0002611500000000, -0.0000881500000000, 0.0001483200000000 ] - [ -0.0010235600000000, -0.0015839800000000, -0.0004093100000000 ] - [ -0.0003579300000000, 0.0001126100000000, 0.0000064500000000 ] - [ 0.0023615200000000, -0.0021102100000000, -0.0001229400000000 ] - [ -0.0005636300000000, -0.0000257500000000, 0.0000025600000000 ] - [ -0.0043410700000000, -0.0033250000000000, 0.0016559300000000 ] - [ -0.0003887800000000, 0.0000776900000000, 0.0000919100000000 ] - [ 0.0003420000000000, -0.0017606200000000, 0.0002718400000000 ] - [ -0.0002528200000000, -0.0000358600000000, -0.0000619700000000 ] - [ -0.0004251800000000, -0.0014607100000000, -0.0060856100000000 ] - [ -0.0003935100000000, -0.0000206600000000, -0.0000485700000000 ] - [ 0.0000762100000000, -0.0015981600000000, 0.0009316600000000 ] - [ -0.0002567600000000, 0.0000105600000000, 0.0000018000000000 ] - [ 0.0000229700000000, -0.0014558700000000, 0.0031460600000000 ] - [ -0.0001043800000000, 0.0000585300000000, 0.0000209900000000 ] - [ -0.0031406100000000, -0.0055598800000000, 0.0006991300000000 ] - [ -0.0003907900000000, -0.0000325400000000, 0.0000578500000000 ] - [ 0.0005948900000000, -0.0010565500000000, 0.0022398900000000 ] - [ -0.0004099300000000, -0.0000395200000000, -0.0000438300000000 ] - [ -0.0003171800000000, -0.0011392200000000, -0.0062719100000000 ] - [ -0.0003374000000000, 0.0000981000000000, -0.0000195200000000 ] - [ 0.0018299800000000, -0.0010311500000000, 0.0013189700000000 ] - [ -0.0004998600000000, 0.0000168800000000, -0.0001246100000000 ] - [ -0.0012635800000000, -0.0012772000000000, -0.0009539000000000 ] - [ -0.0001311000000000, 0.0000511700000000, -0.0001401100000000 ] - [ 0.0003183700000000, -0.0002854400000000, 0.0004702500000000 ] - [ -0.0002465800000000, -0.0002756200000000, -0.0000409800000000 ] - [ -0.0009605000000000, 0.0017313600000000, 0.0017558000000000 ] - [ -0.0001487000000000, -0.0000784500000000, 0.0000273100000000 ] - [ -0.0010075200000000, -0.0006156100000000, -0.0061231300000000 ] - [ -0.0001066900000000, -0.0000118100000000, -0.0001054800000000 ] - [ 0.0010649900000000, 0.0006737900000000, -0.0010465100000000 ] - [ -0.0004962200000000, 0.0000172400000000, -0.0003241500000000 ] - [ -0.0003533200000000, 0.0003212600000000, 0.0021441600000000 ] - [ -0.0004799800000000, -0.0002126700000000, 0.0002182000000000 ] - [ -0.0002917600000000, -0.0007707900000000, -0.0003996500000000 ] - [ -0.0002028100000000, 0.0000646200000000, -0.0002079400000000 ]- atom: 9 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ 0.0003673200000000, -0.0000843700000000, -0.0000873400000000 ] - [ 0.0004388000000000, 0.0003651600000000, -0.0001276600000000 ] - [ 0.0027721400000000, -0.0014779500000000, 0.0015834300000000 ] - [ 0.0014742400000000, 0.0006622700000000, -0.0003181500000000 ] - [ -0.0019745900000000, 0.0022360600000000, 0.0003236700000000 ] - [ 0.0007200900000000, -0.0002405300000000, -0.0003979600000000 ] - [ -0.0018321100000000, 0.0002347000000000, -0.0000535600000000 ] - [ 0.0010041100000000, 0.0001536200000000, 0.0001124300000000 ] - [ -0.1224762500000000, -0.0003400500000000, 0.0013996500000000 ] - [ 0.0022168000000000, 0.0001622900000000, -0.0002701500000000 ] - [ -0.0002776800000000, 0.0033068800000000, -0.0037073600000000 ] - [ 0.0013294300000000, -0.0001504700000000, 0.0003059400000000 ] - [ 0.0019585500000000, 0.0000465400000000, -0.0005082600000000 ] - [ 0.0004692700000000, -0.0028596700000000, 0.0041980000000000 ] - [ 0.0005855500000000, 0.0005245600000000, 0.0004325600000000 ] - [ 0.0011549800000000, -0.0002057400000000, -0.0002013000000000 ] - [ 0.0000717200000000, 0.0039156400000000, 0.0026363500000000 ] - [ 0.0018612600000000, -0.0005044500000000, -0.0001240400000000 ] - [ 0.0002446800000000, -0.0038037300000000, -0.0032441400000000 ] - [ 0.0017796500000000, 0.0004543200000000, 0.0001958100000000 ] - [ -0.0091359300000000, -0.0143014300000000, -0.0023461300000000 ] - [ 0.0039461800000000, 0.0016636100000000, -0.0007694400000000 ] - [ -0.0078255600000000, 0.0080310900000000, 0.0000433500000000 ] - [ 0.0033268900000000, -0.0005615600000000, -0.0000119000000000 ] - [ -0.0090970600000000, -0.0020397100000000, 0.0112909000000000 ] - [ 0.0036334600000000, 0.0007581500000000, -0.0016823200000000 ] - [ 0.0025514200000000, 0.0006025600000000, -0.0005205200000000 ] - [ 0.0012445700000000, -0.0025491000000000, -0.0016419700000000 ] - [ 0.0054608500000000, 0.0005275100000000, 0.0014913600000000 ] - [ 0.0126045300000000, -0.0056016100000000, -0.0063544400000000 ] - [ 0.0061659400000000, -0.0024152800000000, -0.0016459800000000 ] - [ 0.0120733000000000, 0.0044710300000000, 0.0065044500000000 ] - [ 0.0004689200000000, -0.0004174400000000, -0.0002336000000000 ] - [ 0.0026931300000000, -0.0009532700000000, 0.0005376200000000 ] - [ 0.0007044500000000, 0.0017876700000000, -0.0022699600000000 ] - [ 0.0025080300000000, -0.0004370700000000, 0.0002762900000000 ] - [ 0.0182968500000000, 0.0043584400000000, -0.0042662200000000 ] - [ 0.0060525500000000, -0.0015535700000000, 0.0024835500000000 ] - [ -0.0073970500000000, -0.0120288300000000, -0.0019562400000000 ] - [ 0.0036316300000000, 0.0010292800000000, 0.0013352200000000 ] - [ -0.0069813000000000, -0.0013049800000000, 0.0113262300000000 ] - [ 0.0033759700000000, 0.0000739700000000, -0.0001409500000000 ] - [ -0.0096227500000000, -0.0004311500000000, -0.0090462500000000 ] - [ 0.0037592000000000, 0.0012717500000000, 0.0008385900000000 ] - [ 0.0083846000000000, 0.0023963400000000, -0.0028713800000000 ] - [ -0.0025669200000000, -0.0008011300000000, 0.0003251900000000 ] - [ 0.0055830700000000, 0.0016082800000000, 0.0008944500000000 ] - [ -0.0018523700000000, -0.0004154200000000, -0.0001881800000000 ] - [ 0.0067825900000000, -0.0001931200000000, -0.0023609300000000 ] - [ -0.0021801600000000, -0.0002678200000000, 0.0006062800000000 ] - [ 0.0017132600000000, -0.0012051000000000, -0.0026628300000000 ] - [ -0.0007634100000000, -0.0000412200000000, 0.0004516500000000 ] - [ 0.0021666900000000, 0.0006434400000000, -0.0009332200000000 ] - [ -0.0010120000000000, 0.0000023800000000, 0.0001877800000000 ] - [ 0.0276764200000000, -0.0180567700000000, -0.0177065000000000 ] - [ -0.0025532300000000, -0.0008112300000000, 0.0001786100000000 ] - [ 0.0258194900000000, 0.0200970300000000, 0.0178465700000000 ] - [ -0.0024050100000000, 0.0002735000000000, 0.0004972500000000 ] - [ 0.0006281500000000, 0.0008475800000000, 0.0021637500000000 ] - [ -0.0018780700000000, -0.0002019300000000, 0.0003679100000000 ] - [ -0.0026617700000000, 0.0001723100000000, 0.0016902900000000 ] - [ 0.0017343100000000, 0.0000774200000000, -0.0034873400000000 ] - [ -0.0018632700000000, -0.0007020400000000, -0.0001653300000000 ] - [ -0.0004130000000000, 0.0022720800000000, 0.0004971400000000 ] - [ -0.0021172600000000, 0.0010920500000000, 0.0001029200000000 ] - [ 0.0002577700000000, -0.0026416700000000, -0.0001933900000000 ] - [ -0.0012647300000000, 0.0008656800000000, -0.0002949600000000 ] - [ -0.0049656100000000, -0.0000963500000000, 0.0005859100000000 ] - [ -0.0006466700000000, -0.0005626400000000, -0.0008399100000000 ] - [ -0.0005287800000000, 0.0016987600000000, 0.0030258300000000 ] - [ -0.0011568900000000, -0.0002340500000000, 0.0005762400000000 ] - [ -0.0008148200000000, 0.0001463900000000, 0.0005443200000000 ] - [ -0.0036191100000000, 0.0004290800000000, 0.0000587700000000 ] - [ -0.0051035500000000, 0.0007382300000000, -0.0012070700000000 ] - [ -0.0008884500000000, -0.0001592700000000, 0.0000726800000000 ] - [ -0.0013976900000000, 0.0006790000000000, 0.0002898400000000 ] - [ -0.0058877600000000, 0.0020437000000000, 0.0013876700000000 ] - [ -0.0030953300000000, 0.0001081500000000, -0.0004718000000000 ] - [ -0.0004587700000000, -0.0004123300000000, 0.0004046200000000 ] - [ -0.0011032700000000, 0.0004365000000000, -0.0000245500000000 ] - [ -0.0058456300000000, -0.0013675900000000, -0.0014671500000000 ] - [ -0.0031809600000000, 0.0005695600000000, -0.0004028400000000 ] - [ -0.0008909700000000, -0.0027156000000000, 0.0011823500000000 ] - [ -0.0010953000000000, 0.0007623900000000, -0.0005492400000000 ] - [ 0.0001458800000000, -0.0004279800000000, 0.0004033400000000 ] - [ -0.0005794300000000, 0.0003230900000000, -0.0001933000000000 ] - [ 0.0001104500000000, 0.0004877000000000, -0.0005180700000000 ] - [ -0.0019808800000000, 0.0000901700000000, 0.0002046800000000 ] - [ -0.0000779500000000, -0.0009914600000000, 0.0031622800000000 ] - [ -0.0018604900000000, 0.0001968000000000, -0.0010145800000000 ] - [ 0.0011117000000000, 0.0008446300000000, 0.0000595200000000 ] - [ -0.0023321800000000, -0.0000661800000000, -0.0000736800000000 ] - [ 0.0247457600000000, 0.0187525000000000, -0.0174364800000000 ] - [ -0.0032455500000000, 0.0000493900000000, -0.0006473600000000 ] - [ 0.0011476100000000, 0.0023117000000000, -0.0010989900000000 ] - [ -0.0013716200000000, -0.0000020800000000, -0.0004503300000000 ] - [ 0.0014386900000000, -0.0017420700000000, 0.0010588000000000 ] - [ -0.0017001200000000, -0.0005066700000000, -0.0002337800000000 ] - [ 0.0009520000000000, -0.0002202900000000, -0.0008948400000000 ] - [ -0.0008706600000000, -0.0003039300000000, -0.0001256000000000 ] - [ 0.0228283500000000, -0.0121194900000000, 0.0137701500000000 ] - [ -0.0010333500000000, -0.0002913800000000, -0.0001172000000000 ] - [ 0.0059278600000000, 0.0025592900000000, 0.0018083100000000 ] - [ -0.0019952200000000, -0.0001920200000000, -0.0004366800000000 ] - [ 0.0046448200000000, 0.0013751600000000, -0.0001251600000000 ] - [ -0.0017847200000000, -0.0004767500000000, 0.0001146700000000 ] - [ 0.0074769000000000, 0.0012628200000000, -0.0006183000000000 ] - [ -0.0025596700000000, -0.0003626300000000, -0.0000983500000000 ]- atom: 9 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ -0.0006377300000000, 0.0004027800000000, 0.0000800500000000 ] - [ -0.0007176400000000, -0.0000459100000000, 0.0001185500000000 ] - [ -0.0026057500000000, 0.0017643400000000, -0.0013862800000000 ] - [ -0.0012724400000000, -0.0004017500000000, 0.0005434100000000 ] - [ 0.0017851700000000, -0.0019730200000000, -0.0005492800000000 ] - [ -0.0009160700000000, 0.0004988700000000, 0.0001720600000000 ] - [ 0.0021056200000000, 0.0000828800000000, 0.0000639200000000 ] - [ -0.0007299400000000, 0.0001655100000000, -0.0001017700000000 ] - [ 0.1226611800000000, 0.0008778900000000, -0.0018806300000000 ] - [ -0.0020394600000000, -0.0001395200000000, 0.0002672400000000 ] - [ 0.0000784100000000, -0.0033327900000000, 0.0037829000000000 ] - [ -0.0015095400000000, 0.0001008200000000, -0.0002108900000000 ] - [ -0.0017754800000000, -0.0000991300000000, 0.0004117900000000 ] - [ -0.0002988900000000, 0.0027778500000000, -0.0042701700000000 ] - [ -0.0007598900000000, -0.0005025600000000, -0.0004344800000000 ] - [ -0.0013455800000000, 0.0002298500000000, 0.0002010900000000 ] - [ -0.0000876600000000, -0.0039067900000000, -0.0025652900000000 ] - [ -0.0018923800000000, 0.0005361500000000, 0.0002204400000000 ] - [ -0.0002041500000000, 0.0038661700000000, 0.0031764900000000 ] - [ -0.0017552100000000, -0.0004204600000000, -0.0002917000000000 ] - [ 0.0093755600000000, 0.0144407600000000, 0.0023398100000000 ] - [ -0.0036784100000000, -0.0015886200000000, 0.0007415500000000 ] - [ 0.0078330300000000, -0.0082661200000000, -0.0001414300000000 ] - [ -0.0032997500000000, 0.0003748600000000, -0.0000924800000000 ] - [ 0.0085608800000000, 0.0019027500000000, -0.0114160600000000 ] - [ -0.0041467200000000, -0.0008996300000000, 0.0016027600000000 ] - [ -0.0020325800000000, -0.0007588000000000, 0.0005921000000000 ] - [ -0.0007593300000000, 0.0024028900000000, 0.0017352300000000 ] - [ -0.0055198800000000, -0.0007230100000000, -0.0013955000000000 ] - [ -0.0126215300000000, 0.0052769900000000, 0.0063713900000000 ] - [ -0.0064687000000000, 0.0025026500000000, 0.0016769300000000 ] - [ -0.0123318200000000, -0.0042903800000000, -0.0063766800000000 ] - [ -0.0004078000000000, 0.0003145100000000, 0.0004527100000000 ] - [ -0.0026637600000000, 0.0008669700000000, -0.0003265600000000 ] - [ -0.0005845100000000, -0.0017934400000000, 0.0020122300000000 ] - [ -0.0024175300000000, 0.0004239400000000, -0.0005282200000000 ] - [ -0.0180385100000000, -0.0044009500000000, 0.0042204300000000 ] - [ -0.0057454600000000, 0.0016083000000000, -0.0026459600000000 ] - [ 0.0071453500000000, 0.0120356800000000, 0.0021113500000000 ] - [ -0.0039115700000000, -0.0009724200000000, -0.0011682000000000 ] - [ 0.0069127300000000, 0.0013049700000000, -0.0110079400000000 ] - [ -0.0034786900000000, -0.0000784000000000, 0.0004011700000000 ] - [ 0.0095933100000000, 0.0003426900000000, 0.0088052700000000 ] - [ -0.0037972000000000, -0.0013689300000000, -0.0010489100000000 ] - [ -0.0082041100000000, -0.0025613400000000, 0.0029588000000000 ] - [ 0.0027279400000000, 0.0006415700000000, -0.0002394500000000 ] - [ -0.0054548000000000, -0.0015728500000000, -0.0009817700000000 ] - [ 0.0019712100000000, 0.0004584600000000, 0.0001054000000000 ] - [ -0.0069093600000000, -0.0000226500000000, 0.0023383600000000 ] - [ 0.0020440100000000, 0.0000467800000000, -0.0006371200000000 ] - [ -0.0018398500000000, 0.0011945900000000, 0.0028339400000000 ] - [ 0.0006413100000000, 0.0000218900000000, -0.0002880700000000 ] - [ -0.0020510000000000, -0.0003132400000000, 0.0009554700000000 ] - [ 0.0011150200000000, 0.0003196600000000, -0.0001692100000000 ] - [ -0.0269004400000000, 0.0170091000000000, 0.0168034800000000 ] - [ 0.0026798900000000, 0.0008022600000000, -0.0002853900000000 ] - [ -0.0251577500000000, -0.0190915100000000, -0.0168609500000000 ] - [ 0.0025382300000000, -0.0001464400000000, -0.0003551900000000 ] - [ -0.0006349000000000, -0.0008307700000000, -0.0023258500000000 ] - [ 0.0018552400000000, 0.0002201000000000, -0.0005119700000000 ] - [ 0.0026850300000000, -0.0001535100000000, -0.0015515500000000 ] - [ -0.0016851000000000, -0.0000689000000000, 0.0036280100000000 ] - [ 0.0017364000000000, 0.0008374700000000, 0.0000248200000000 ] - [ 0.0003155800000000, -0.0021448200000000, -0.0006370700000000 ] - [ 0.0019937200000000, -0.0011153800000000, 0.0000057800000000 ] - [ -0.0003571200000000, 0.0026205900000000, 0.0002893300000000 ] - [ 0.0011619300000000, -0.0005443200000000, 0.0002830300000000 ] - [ 0.0047966700000000, 0.0004353500000000, -0.0005919900000000 ] - [ 0.0007668700000000, 0.0005482300000000, 0.0006831900000000 ] - [ 0.0006550400000000, -0.0017051100000000, -0.0031851300000000 ] - [ 0.0012819100000000, 0.0000145000000000, -0.0005419400000000 ] - [ 0.0009606900000000, -0.0003646200000000, -0.0005232600000000 ] - [ 0.0034952700000000, -0.0003789900000000, 0.0000237300000000 ] - [ 0.0049322000000000, -0.0006909300000000, 0.0012867800000000 ] - [ 0.0007043500000000, 0.0000062200000000, -0.0001567600000000 ] - [ 0.0012352300000000, -0.0008459200000000, -0.0003743500000000 ] - [ 0.0060064300000000, -0.0019955500000000, -0.0012173400000000 ] - [ 0.0031665700000000, -0.0000708500000000, 0.0006616200000000 ] - [ 0.0004887600000000, 0.0002442700000000, -0.0005831200000000 ] - [ 0.0011496700000000, -0.0006096300000000, -0.0001579900000000 ] - [ 0.0057676600000000, 0.0013123900000000, 0.0015369900000000 ] - [ 0.0030489400000000, -0.0006444600000000, 0.0004889800000000 ] - [ 0.0006948900000000, 0.0026856400000000, -0.0011419200000000 ] - [ 0.0009072700000000, -0.0007891000000000, 0.0005963400000000 ] - [ -0.0000728900000000, 0.0004503100000000, -0.0003893000000000 ] - [ 0.0006598400000000, -0.0002976500000000, 0.0002128700000000 ] - [ -0.0002351200000000, -0.0007766600000000, 0.0006450400000000 ] - [ 0.0018766600000000, -0.0003817600000000, -0.0000755600000000 ] - [ -0.0001686100000000, 0.0009754900000000, -0.0030942200000000 ] - [ 0.0016375400000000, -0.0002173600000000, 0.0010748400000000 ] - [ -0.0010280600000000, -0.0006994400000000, 0.0000857000000000 ] - [ 0.0024386800000000, 0.0002093700000000, 0.0002156100000000 ] - [ -0.0256648300000000, -0.0195269200000000, 0.0183116500000000 ] - [ 0.0031279100000000, 0.0000963000000000, 0.0005078700000000 ] - [ -0.0009294000000000, -0.0023159800000000, 0.0010156900000000 ] - [ 0.0015978400000000, -0.0000205200000000, 0.0003843900000000 ] - [ -0.0013451100000000, 0.0014529900000000, -0.0011839700000000 ] - [ 0.0018036000000000, 0.0002275200000000, 0.0001072100000000 ] - [ -0.0010428200000000, 0.0002268000000000, 0.0008672800000000 ] - [ 0.0007920700000000, 0.0003229300000000, 0.0000995900000000 ] - [ -0.0229117200000000, 0.0127035800000000, -0.0144699900000000 ] - [ 0.0012200600000000, 0.0002548100000000, 0.0000717900000000 ] - [ -0.0058028600000000, -0.0026384700000000, -0.0018742400000000 ] - [ 0.0021312800000000, 0.0001129200000000, 0.0003590800000000 ] - [ -0.0046925100000000, -0.0015514000000000, 0.0002887500000000 ] - [ 0.0017440600000000, 0.0002999000000000, 0.0000628000000000 ] - [ -0.0075566500000000, -0.0012119100000000, 0.0004223900000000 ] - [ 0.0024919000000000, 0.0004085500000000, -0.0000943400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003021700000000, -0.0003754600000000, -0.0002784300000000 ] - [ 0.0000996200000000, -0.0004022700000000, 0.0004526900000000 ] - [ -0.0018974300000000, -0.0008837300000000, 0.0003680100000000 ] - [ 0.0002982000000000, 0.0000660400000000, -0.0000991800000000 ] - [ 0.0008387300000000, 0.0042527300000000, -0.0012121700000000 ] - [ -0.0000828200000000, 0.0001493700000000, -0.0001351800000000 ] - [ 0.0003150900000000, 0.0012128500000000, 0.0002168000000000 ] - [ 0.0001401500000000, 0.0001963500000000, -0.0000023300000000 ] - [ -0.0008206800000000, -0.1194655200000000, -0.0019080800000000 ] - [ 0.0002372400000000, -0.0001269400000000, -0.0000489000000000 ] - [ 0.0038315200000000, 0.0022989600000000, -0.0026446900000000 ] - [ -0.0003891600000000, -0.0002019800000000, 0.0002270100000000 ] - [ 0.0003852900000000, 0.0001811600000000, -0.0002516200000000 ] - [ -0.0031950700000000, 0.0018430000000000, -0.0031523900000000 ] - [ -0.0006042500000000, 0.0009203200000000, 0.0005494900000000 ] - [ 0.0001336700000000, 0.0010757400000000, -0.0006801600000000 ] - [ 0.0025333200000000, 0.0017199300000000, 0.0033263500000000 ] - [ -0.0002816400000000, 0.0001156400000000, 0.0001523700000000 ] - [ -0.0043097200000000, 0.0012697600000000, 0.0030390100000000 ] - [ 0.0004897000000000, 0.0002956200000000, 0.0001953100000000 ] - [ -0.0008596100000000, 0.0220781000000000, 0.0045348200000000 ] - [ 0.0002314400000000, 0.0004565300000000, 0.0001204500000000 ] - [ 0.0045373500000000, 0.0173214800000000, 0.0019424500000000 ] - [ 0.0000876900000000, -0.0000145300000000, -0.0000400100000000 ] - [ -0.0003233800000000, -0.0048038400000000, 0.0073302600000000 ] - [ -0.0001614300000000, -0.0002022400000000, -0.0001679400000000 ] - [ 0.0000104800000000, 0.0011083800000000, -0.0001059400000000 ] - [ -0.0013022100000000, 0.0017626900000000, 0.0014145800000000 ] - [ 0.0014738300000000, -0.0002190400000000, 0.0009431600000000 ] - [ -0.0107993200000000, -0.0056335000000000, 0.0009229600000000 ] - [ -0.0005812500000000, -0.0011305600000000, -0.0000853800000000 ] - [ 0.0120070100000000, -0.0036426200000000, -0.0011805000000000 ] - [ -0.0023224100000000, 0.0026435100000000, -0.0015842000000000 ] - [ 0.0000793000000000, 0.0004162200000000, 0.0001919300000000 ] - [ 0.0005033000000000, 0.0029073600000000, -0.0017223000000000 ] - [ -0.0003195200000000, 0.0002842700000000, 0.0003177700000000 ] - [ 0.0124123900000000, -0.0019771300000000, -0.0006659700000000 ] - [ -0.0003009400000000, -0.0015841300000000, -0.0011188400000000 ] - [ -0.0042511300000000, 0.0188042900000000, -0.0052091600000000 ] - [ 0.0000664700000000, 0.0002091600000000, 0.0000151800000000 ] - [ -0.0023653200000000, -0.0053699200000000, -0.0120183300000000 ] - [ 0.0000672600000000, -0.0001458600000000, 0.0001792000000000 ] - [ -0.0007791000000000, -0.0030128000000000, -0.0096532800000000 ] - [ 0.0001196100000000, -0.0001996200000000, -0.0000458800000000 ] - [ 0.0015009100000000, 0.0043181800000000, 0.0029426700000000 ] - [ -0.0000555000000000, 0.0000169200000000, 0.0001227600000000 ] - [ -0.0012218800000000, -0.0080239400000000, 0.0010361800000000 ] - [ 0.0000191600000000, -0.0000751700000000, -0.0000570100000000 ] - [ -0.0007876300000000, 0.0002046400000000, 0.0005524100000000 ] - [ -0.0000894900000000, -0.0000684600000000, 0.0000012000000000 ] - [ -0.0002928200000000, -0.0015070800000000, -0.0013883800000000 ] - [ -0.0000592800000000, -0.0000147800000000, 0.0000974800000000 ] - [ 0.0007083200000000, -0.0087097100000000, 0.0019992200000000 ] - [ -0.0000245000000000, 0.0000005100000000, 0.0000082400000000 ] - [ -0.0189553400000000, 0.0232651000000000, 0.0173172900000000 ] - [ -0.0003658100000000, -0.0002849200000000, -0.0000789400000000 ] - [ 0.0184750600000000, 0.0244184700000000, 0.0192841000000000 ] - [ 0.0000277500000000, 0.0002456400000000, 0.0001296000000000 ] - [ 0.0008972600000000, -0.0012606600000000, -0.0022515500000000 ] - [ 0.0001068000000000, -0.0001070400000000, -0.0001858700000000 ] - [ 0.0000359600000000, 0.0001911400000000, 0.0002507100000000 ] - [ -0.0022970500000000, 0.0009302500000000, -0.0016853800000000 ] - [ -0.0001070400000000, -0.0003745200000000, -0.0002559700000000 ] - [ 0.0017010000000000, -0.0014984300000000, -0.0001504100000000 ] - [ 0.0000653200000000, 0.0001677500000000, -0.0000654100000000 ] - [ -0.0020043700000000, -0.0017078700000000, 0.0004143000000000 ] - [ 0.0000937000000000, 0.0008605800000000, -0.0002005400000000 ] - [ -0.0020664600000000, 0.0047112900000000, 0.0019351300000000 ] - [ -0.0000234600000000, -0.0003344200000000, -0.0005600800000000 ] - [ 0.0006633400000000, -0.0003381600000000, -0.0018007400000000 ] - [ -0.0001157500000000, -0.0004035200000000, 0.0004262200000000 ] - [ 0.0005150700000000, -0.0003620000000000, -0.0006449800000000 ] - [ -0.0022416500000000, 0.0009419100000000, -0.0000767600000000 ] - [ 0.0013137600000000, 0.0026326300000000, 0.0013642600000000 ] - [ 0.0011342600000000, -0.0008849500000000, -0.0000357600000000 ] - [ -0.0002097900000000, -0.0013135400000000, 0.0000350000000000 ] - [ 0.0013847800000000, 0.0030083400000000, -0.0003177500000000 ] - [ -0.0029227500000000, 0.0016087000000000, 0.0003722800000000 ] - [ 0.0000653700000000, -0.0012613700000000, 0.0003685000000000 ] - [ 0.0004280700000000, -0.0005003000000000, -0.0003570200000000 ] - [ -0.0026396000000000, 0.0005556500000000, -0.0014997900000000 ] - [ 0.0017660000000000, 0.0001473500000000, 0.0010715500000000 ] - [ -0.0004870600000000, -0.0018770300000000, 0.0007283000000000 ] - [ -0.0001108500000000, -0.0000308500000000, -0.0000056400000000 ] - [ 0.0005227500000000, -0.0016575200000000, 0.0008225900000000 ] - [ -0.0000520700000000, -0.0003564000000000, -0.0002120300000000 ] - [ 0.0023793300000000, -0.0010155200000000, 0.0010873500000000 ] - [ -0.0002207700000000, -0.0001712100000000, -0.0000162600000000 ] - [ -0.0012082400000000, -0.0008047800000000, 0.0027182500000000 ] - [ -0.0001165700000000, 0.0001869600000000, 0.0000046100000000 ] - [ 0.0023733800000000, -0.0013830300000000, 0.0006915500000000 ] - [ -0.0001149300000000, -0.0001216700000000, 0.0002566900000000 ] - [ 0.0147692000000000, 0.0226015400000000, -0.0141901700000000 ] - [ -0.0000667800000000, 0.0003459300000000, 0.0000600400000000 ] - [ 0.0010085200000000, -0.0018589500000000, 0.0016860800000000 ] - [ 0.0000676300000000, -0.0000636400000000, 0.0000089200000000 ] - [ -0.0001747300000000, -0.0012344000000000, 0.0005734500000000 ] - [ 0.0000718200000000, -0.0000772000000000, -0.0001065000000000 ] - [ -0.0002969500000000, 0.0049576000000000, 0.0011844800000000 ] - [ 0.0000128100000000, 0.0001599900000000, -0.0000783400000000 ] - [ -0.0165035100000000, 0.0216512000000000, -0.0162458600000000 ] - [ 0.0000136800000000, 0.0000242600000000, -0.0000032500000000 ] - [ 0.0003169000000000, -0.0062956500000000, 0.0003203900000000 ] - [ -0.0000837900000000, -0.0001223900000000, -0.0000205500000000 ] - [ 0.0009769500000000, 0.0028199100000000, 0.0010581900000000 ] - [ -0.0001474900000000, -0.0000148100000000, 0.0000224700000000 ] - [ -0.0019466700000000, -0.0088898500000000, -0.0008053800000000 ] - [ -0.0000543900000000, -0.0001645000000000, -0.0000851000000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000260500000000, 0.0007008900000000, 0.0002746900000000 ] - [ -0.0003781300000000, 0.0007295000000000, -0.0004560700000000 ] - [ 0.0021001800000000, 0.0011366300000000, -0.0001418100000000 ] - [ -0.0001022800000000, 0.0001939900000000, 0.0003260300000000 ] - [ -0.0010666200000000, -0.0040131700000000, 0.0010156300000000 ] - [ -0.0001136500000000, 0.0001108200000000, -0.0000920900000000 ] - [ -0.0000391600000000, -0.0008854800000000, -0.0002131000000000 ] - [ 0.0001380600000000, 0.0001304600000000, 0.0000073200000000 ] - [ 0.0004002900000000, 0.1192788200000000, 0.0022118800000000 ] - [ -0.0000605000000000, 0.0001506400000000, 0.0000446400000000 ] - [ -0.0039865900000000, -0.0023560200000000, 0.0027149500000000 ] - [ 0.0002054200000000, 0.0001522400000000, -0.0001280600000000 ] - [ -0.0002015600000000, -0.0002264500000000, 0.0001514900000000 ] - [ 0.0034113800000000, -0.0018816800000000, 0.0030861400000000 ] - [ 0.0004190200000000, -0.0008915700000000, -0.0005430500000000 ] - [ -0.0003057900000000, -0.0010508400000000, 0.0006830700000000 ] - [ -0.0025871400000000, -0.0016739900000000, -0.0032489400000000 ] - [ 0.0002563300000000, -0.0000793900000000, -0.0000486300000000 ] - [ 0.0043047900000000, -0.0012463900000000, -0.0031092000000000 ] - [ -0.0004659100000000, -0.0002618700000000, -0.0002974600000000 ] - [ 0.0012540700000000, -0.0219859900000000, -0.0046665400000000 ] - [ 0.0000341400000000, -0.0003705300000000, -0.0001546100000000 ] - [ -0.0044032900000000, -0.0175220400000000, -0.0019260900000000 ] - [ -0.0000563500000000, -0.0001642900000000, -0.0000429000000000 ] - [ -0.0001628900000000, 0.0046384900000000, -0.0074439100000000 ] - [ -0.0003289700000000, 0.0000637100000000, 0.0000880100000000 ] - [ 0.0004784900000000, -0.0012451200000000, 0.0001806200000000 ] - [ 0.0018061900000000, -0.0018948000000000, -0.0013372500000000 ] - [ -0.0015010500000000, 0.0000390900000000, -0.0008525000000000 ] - [ 0.0107302800000000, 0.0054570400000000, -0.0008293800000000 ] - [ 0.0003174900000000, 0.0012116100000000, 0.0001236200000000 ] - [ -0.0123194900000000, 0.0037073000000000, 0.0012218400000000 ] - [ 0.0023505100000000, -0.0027663200000000, 0.0017855100000000 ] - [ -0.0000412800000000, -0.0005342300000000, 0.0000194500000000 ] - [ -0.0004011600000000, -0.0028982500000000, 0.0014566800000000 ] - [ 0.0004290200000000, -0.0002889200000000, -0.0005828000000000 ] - [ -0.0120732700000000, 0.0020584000000000, 0.0005047600000000 ] - [ 0.0005805700000000, 0.0016448300000000, 0.0009518700000000 ] - [ 0.0038704900000000, -0.0187698300000000, 0.0052365300000000 ] - [ -0.0003429900000000, -0.0001528500000000, 0.0001540700000000 ] - [ 0.0022674300000000, 0.0053402100000000, 0.0123369500000000 ] - [ -0.0001716800000000, 0.0001413600000000, 0.0000860600000000 ] - [ 0.0007306400000000, 0.0029155700000000, 0.0094066100000000 ] - [ -0.0001503700000000, 0.0000845200000000, -0.0001626300000000 ] - [ -0.0013433900000000, -0.0044748600000000, -0.0028542500000000 ] - [ 0.0001987600000000, -0.0001623800000000, -0.0000310900000000 ] - [ 0.0013172700000000, 0.0080241300000000, -0.0010949600000000 ] - [ 0.0000789500000000, 0.0001318400000000, -0.0000145600000000 ] - [ 0.0006423800000000, -0.0004157300000000, -0.0005924600000000 ] - [ -0.0000620600000000, -0.0001542300000000, -0.0000456500000000 ] - [ 0.0001673900000000, 0.0015011600000000, 0.0015112000000000 ] - [ -0.0000564100000000, -0.0000194300000000, 0.0000435200000000 ] - [ -0.0006318200000000, 0.0090810100000000, -0.0019925500000000 ] - [ 0.0001283800000000, 0.0003069100000000, 0.0000023400000000 ] - [ 0.0201720800000000, -0.0241085100000000, -0.0183168500000000 ] - [ 0.0004933100000000, 0.0002608800000000, -0.0000294200000000 ] - [ -0.0174314900000000, -0.0237033400000000, -0.0182646000000000 ] - [ 0.0001000900000000, -0.0001100000000000, 0.0000194700000000 ] - [ -0.0009094300000000, 0.0012811000000000, 0.0021278600000000 ] - [ -0.0001048400000000, 0.0001313300000000, 0.0000499900000000 ] - [ -0.0000394300000000, -0.0001653000000000, -0.0001135600000000 ] - [ 0.0023026000000000, -0.0009104500000000, 0.0018288300000000 ] - [ -0.0000228100000000, 0.0005080400000000, 0.0001077700000000 ] - [ -0.0018302200000000, 0.0016129300000000, 0.0000094300000000 ] - [ -0.0001947200000000, -0.0001890500000000, 0.0001729300000000 ] - [ 0.0018622800000000, 0.0017139900000000, -0.0003137300000000 ] - [ -0.0001990000000000, -0.0005483100000000, 0.0001882500000000 ] - [ 0.0019636900000000, -0.0043847200000000, -0.0019463300000000 ] - [ 0.0001379400000000, 0.0002980000000000, 0.0004172700000000 ] - [ -0.0005478500000000, 0.0002969500000000, 0.0016541000000000 ] - [ 0.0002665500000000, 0.0001779500000000, -0.0003783400000000 ] - [ -0.0003699100000000, 0.0001380400000000, 0.0006887700000000 ] - [ 0.0021314100000000, -0.0008858000000000, 0.0001484600000000 ] - [ -0.0014173900000000, -0.0025825300000000, -0.0012946000000000 ] - [ -0.0012786000000000, 0.0007403900000000, -0.0000536900000000 ] - [ 0.0000567700000000, 0.0011710000000000, -0.0001244200000000 ] - [ -0.0013246200000000, -0.0029606900000000, 0.0005103400000000 ] - [ 0.0029882700000000, -0.0015723900000000, -0.0001770600000000 ] - [ -0.0000314900000000, 0.0010756300000000, -0.0005567400000000 ] - [ -0.0004021100000000, 0.0003154900000000, 0.0001638600000000 ] - [ 0.0024944200000000, -0.0006434600000000, 0.0015896100000000 ] - [ -0.0019093900000000, -0.0002280800000000, -0.0009744700000000 ] - [ 0.0003039800000000, 0.0018382100000000, -0.0006703200000000 ] - [ -0.0000784200000000, 0.0000056500000000, 0.0000693500000000 ] - [ -0.0004445800000000, 0.0016942100000000, -0.0007921400000000 ] - [ 0.0001261500000000, 0.0003975700000000, 0.0002453100000000 ] - [ -0.0024710900000000, 0.0007673900000000, -0.0009625600000000 ] - [ 0.0001355000000000, -0.0000810500000000, 0.0001414100000000 ] - [ 0.0009819000000000, 0.0007658800000000, -0.0026540200000000 ] - [ -0.0000974900000000, -0.0002234600000000, 0.0000437800000000 ] - [ -0.0022314100000000, 0.0015387400000000, -0.0005459100000000 ] - [ 0.0002394000000000, 0.0002701300000000, -0.0001250600000000 ] - [ -0.0156000300000000, -0.0227422200000000, 0.0146922800000000 ] - [ -0.0000603100000000, -0.0001977600000000, -0.0001924700000000 ] - [ -0.0007862200000000, 0.0018538800000000, -0.0017246000000000 ] - [ 0.0001435300000000, 0.0000290400000000, -0.0000571600000000 ] - [ 0.0002650900000000, 0.0009640800000000, -0.0007021000000000 ] - [ 0.0000113400000000, -0.0001784500000000, -0.0000180500000000 ] - [ 0.0002205400000000, -0.0049254900000000, -0.0012149600000000 ] - [ -0.0000864700000000, -0.0001207900000000, 0.0000442500000000 ] - [ 0.0159613700000000, -0.0211029400000000, 0.0152843400000000 ] - [ 0.0001742200000000, -0.0000472200000000, -0.0000596900000000 ] - [ -0.0001610300000000, 0.0061532300000000, -0.0004110600000000 ] - [ 0.0002268200000000, 0.0000446400000000, -0.0000797000000000 ] - [ -0.0010092600000000, -0.0029927400000000, -0.0008734000000000 ] - [ 0.0001164000000000, -0.0001692900000000, 0.0001700600000000 ] - [ 0.0018796500000000, 0.0089863600000000, 0.0006438400000000 ] - [ -0.0000058700000000, 0.0001987900000000, -0.0001075000000000 ]- atom: 9 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ -0.0000584900000000, 0.0005170000000000, 0.0004980600000000 ] - [ -0.0000877500000000, -0.0001518300000000, 0.0005599000000000 ] - [ 0.0021743700000000, 0.0005158200000000, -0.0007873500000000 ] - [ -0.0003490900000000, -0.0000143200000000, -0.0000108400000000 ] - [ 0.0000615300000000, -0.0016525300000000, -0.0011838100000000 ] - [ -0.0002077900000000, 0.0001571700000000, -0.0001060900000000 ] - [ 0.0002326000000000, 0.0000398100000000, 0.0010541600000000 ] - [ 0.0000249800000000, 0.0001642100000000, 0.0000455200000000 ] - [ 0.0027144000000000, -0.0022592000000000, -0.1096505400000000 ] - [ -0.0001936400000000, -0.0000354100000000, -0.0001444200000000 ] - [ -0.0033024700000000, -0.0029545600000000, 0.0022171100000000 ] - [ 0.0000600000000000, 0.0001357500000000, -0.0001044400000000 ] - [ -0.0004165400000000, -0.0002141600000000, 0.0002029700000000 ] - [ 0.0040163400000000, -0.0036705000000000, 0.0011870000000000 ] - [ 0.0003387400000000, -0.0005364200000000, -0.0010493600000000 ] - [ -0.0003018800000000, 0.0006967600000000, -0.0009666500000000 ] - [ 0.0040070900000000, 0.0021453900000000, 0.0019854900000000 ] - [ -0.0005904500000000, 0.0001041900000000, 0.0001302000000000 ] - [ -0.0027232000000000, 0.0036205800000000, 0.0019351600000000 ] - [ 0.0000996600000000, 0.0002212400000000, 0.0001859900000000 ] - [ -0.0007569200000000, 0.0110054700000000, -0.0014614000000000 ] - [ -0.0002625900000000, -0.0002457000000000, -0.0001979200000000 ] - [ -0.0007735200000000, 0.0096587700000000, -0.0042712400000000 ] - [ -0.0005105900000000, 0.0001103400000000, -0.0001430000000000 ] - [ 0.0020523400000000, 0.0056961100000000, 0.0160870100000000 ] - [ -0.0008901400000000, -0.0000906300000000, 0.0004756300000000 ] - [ 0.0003887400000000, -0.0008466500000000, 0.0006350400000000 ] - [ -0.0016203900000000, 0.0009901300000000, 0.0025483200000000 ] - [ 0.0000338600000000, -0.0003065800000000, -0.0009617500000000 ] - [ -0.0104797000000000, -0.0007941700000000, -0.0007795300000000 ] - [ -0.0020329400000000, 0.0013575300000000, -0.0000046800000000 ] - [ 0.0102376800000000, -0.0004618200000000, -0.0043082800000000 ] - [ 0.0021318000000000, -0.0020699000000000, 0.0027581000000000 ] - [ -0.0010803800000000, 0.0004747300000000, 0.0003710700000000 ] - [ -0.0013285600000000, -0.0022270100000000, 0.0024664100000000 ] - [ -0.0004801600000000, -0.0000567700000000, 0.0005511000000000 ] - [ -0.0129831400000000, -0.0009913800000000, -0.0037445900000000 ] - [ 0.0005911400000000, -0.0009825200000000, -0.0014584300000000 ] - [ 0.0017900900000000, -0.0097899000000000, -0.0045288900000000 ] - [ -0.0007444400000000, -0.0000077600000000, -0.0003654600000000 ] - [ 0.0033454000000000, -0.0011078200000000, 0.0230646800000000 ] - [ -0.0006802700000000, 0.0000527100000000, 0.0003000900000000 ] - [ -0.0060855000000000, -0.0038183400000000, 0.0167922200000000 ] - [ -0.0005361500000000, -0.0003337900000000, 0.0000694700000000 ] - [ 0.0009811200000000, -0.0002097300000000, -0.0068802300000000 ] - [ 0.0005129000000000, 0.0000091100000000, -0.0000927500000000 ] - [ 0.0011040700000000, -0.0000502900000000, 0.0026603100000000 ] - [ 0.0002907800000000, 0.0000604900000000, 0.0001191700000000 ] - [ 0.0019177800000000, 0.0003108800000000, -0.0087953500000000 ] - [ 0.0002036400000000, -0.0001415100000000, -0.0002654700000000 ] - [ 0.0000157100000000, -0.0016455800000000, -0.0008805100000000 ] - [ 0.0000383100000000, -0.0000586300000000, -0.0000302100000000 ] - [ -0.0005337700000000, -0.0011821400000000, 0.0040297100000000 ] - [ 0.0002497600000000, 0.0001896100000000, 0.0001175700000000 ] - [ -0.0152297500000000, 0.0154743600000000, 0.0200366300000000 ] - [ 0.0003209300000000, 0.0001816800000000, 0.0001400100000000 ] - [ 0.0177355300000000, 0.0190047100000000, 0.0229652100000000 ] - [ 0.0006901600000000, -0.0001092600000000, 0.0000186600000000 ] - [ 0.0011825800000000, -0.0003594200000000, -0.0023418500000000 ] - [ 0.0000585100000000, 0.0000947500000000, -0.0000510000000000 ] - [ 0.0004817800000000, -0.0001115600000000, -0.0004853300000000 ] - [ -0.0015216300000000, -0.0001687700000000, -0.0008834900000000 ] - [ -0.0000552300000000, 0.0003154100000000, 0.0000927600000000 ] - [ 0.0023792000000000, -0.0014456100000000, -0.0002249800000000 ] - [ 0.0002597100000000, -0.0005038400000000, 0.0002699400000000 ] - [ -0.0017907200000000, -0.0022098200000000, 0.0010392500000000 ] - [ -0.0001512900000000, -0.0000799300000000, 0.0006000800000000 ] - [ 0.0024269400000000, 0.0018950100000000, 0.0030454700000000 ] - [ 0.0000330700000000, 0.0001337200000000, 0.0001192500000000 ] - [ 0.0005350100000000, -0.0005317800000000, -0.0016867700000000 ] - [ 0.0006517200000000, 0.0001097800000000, -0.0007804800000000 ] - [ 0.0001462900000000, 0.0000870700000000, -0.0013697300000000 ] - [ 0.0025352900000000, -0.0002997500000000, 0.0007640000000000 ] - [ -0.0016013300000000, 0.0013081500000000, 0.0023479000000000 ] - [ -0.0010191700000000, 0.0005312900000000, -0.0001375700000000 ] - [ 0.0008825900000000, -0.0006447600000000, -0.0004410600000000 ] - [ 0.0024163000000000, -0.0018421200000000, 0.0007510300000000 ] - [ -0.0020944900000000, 0.0008137600000000, 0.0007312600000000 ] - [ -0.0003518900000000, 0.0005938200000000, -0.0014382900000000 ] - [ 0.0007068100000000, -0.0003425300000000, -0.0005205400000000 ] - [ -0.0012338800000000, -0.0004180800000000, 0.0034088000000000 ] - [ 0.0018321600000000, -0.0000333200000000, 0.0015842300000000 ] - [ 0.0007740800000000, 0.0022106400000000, -0.0004915200000000 ] - [ -0.0000685800000000, 0.0000491100000000, 0.0000244400000000 ] - [ 0.0001508900000000, 0.0010748800000000, -0.0016213700000000 ] - [ 0.0001092100000000, -0.0001689000000000, -0.0003777300000000 ] - [ -0.0019553100000000, 0.0006653300000000, -0.0014733400000000 ] - [ 0.0003619600000000, -0.0002994000000000, -0.0001075400000000 ] - [ 0.0010658100000000, 0.0007439800000000, -0.0019112100000000 ] - [ 0.0000485700000000, 0.0001759700000000, 0.0000090100000000 ] - [ -0.0027291700000000, 0.0010365300000000, -0.0001397100000000 ] - [ 0.0005293100000000, -0.0000007400000000, 0.0003290600000000 ] - [ -0.0173758100000000, -0.0176582300000000, 0.0229313200000000 ] - [ -0.0000025400000000, 0.0002522500000000, 0.0000457800000000 ] - [ -0.0008132300000000, 0.0013450300000000, -0.0021255500000000 ] - [ 0.0004631000000000, -0.0000691900000000, 0.0000797500000000 ] - [ 0.0008451300000000, 0.0017396700000000, -0.0013944100000000 ] - [ 0.0003443900000000, 0.0000209300000000, -0.0001449700000000 ] - [ -0.0006855600000000, -0.0021741200000000, -0.0091514200000000 ] - [ 0.0001487300000000, 0.0000652000000000, -0.0001499700000000 ] - [ 0.0168788100000000, -0.0159889500000000, 0.0208843400000000 ] - [ 0.0002662900000000, -0.0000113300000000, 0.0000786300000000 ] - [ 0.0013855500000000, -0.0017607000000000, 0.0047184200000000 ] - [ 0.0003076700000000, -0.0001094300000000, 0.0001741100000000 ] - [ 0.0008706700000000, -0.0013212200000000, -0.0082902500000000 ] - [ 0.0001981300000000, -0.0000347900000000, -0.0000921900000000 ] - [ -0.0012941600000000, -0.0005787800000000, 0.0007955600000000 ] - [ 0.0003464400000000, 0.0000270500000000, -0.0000269300000000 ]- atom: 9 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ -0.0002200500000000, -0.0001992600000000, -0.0005058500000000 ] - [ -0.0001838300000000, 0.0004683400000000, -0.0005650500000000 ] - [ -0.0019753000000000, -0.0002575100000000, 0.0010201300000000 ] - [ 0.0005433200000000, 0.0002724700000000, 0.0002386300000000 ] - [ -0.0002555400000000, 0.0019181800000000, 0.0009514500000000 ] - [ 0.0000126100000000, 0.0001016300000000, -0.0001183700000000 ] - [ 0.0000441200000000, 0.0002781900000000, -0.0010395600000000 ] - [ 0.0002495700000000, 0.0001540200000000, -0.0000337500000000 ] - [ -0.0021275500000000, 0.0018483400000000, 0.1094685800000000 ] - [ 0.0003733200000000, 0.0000570900000000, 0.0001445200000000 ] - [ 0.0031523300000000, 0.0029327100000000, -0.0021067100000000 ] - [ -0.0002433300000000, -0.0001889000000000, 0.0002045500000000 ] - [ 0.0005966500000000, 0.0001653300000000, -0.0003011100000000 ] - [ -0.0037994000000000, 0.0035881000000000, -0.0013006100000000 ] - [ -0.0005189800000000, 0.0005598600000000, 0.0010515700000000 ] - [ 0.0001171100000000, -0.0006724600000000, 0.0009680800000000 ] - [ -0.0040608500000000, -0.0021431700000000, -0.0018745700000000 ] - [ 0.0005607400000000, -0.0000710700000000, -0.0000281500000000 ] - [ 0.0027226500000000, -0.0035586800000000, -0.0020411100000000 ] - [ -0.0000732300000000, -0.0001898500000000, -0.0002825500000000 ] - [ 0.0010429800000000, -0.0108708800000000, 0.0014730400000000 ] - [ 0.0005292500000000, 0.0003233100000000, 0.0001785700000000 ] - [ 0.0008150700000000, -0.0098940300000000, 0.0041389700000000 ] - [ 0.0005390200000000, -0.0003006800000000, 0.0000388900000000 ] - [ -0.0024488100000000, -0.0057238100000000, -0.0161811000000000 ] - [ 0.0003782800000000, -0.0000531200000000, -0.0005569300000000 ] - [ 0.0001149000000000, 0.0007028000000000, -0.0005489200000000 ] - [ 0.0021340900000000, -0.0011333400000000, -0.0024502500000000 ] - [ -0.0000637200000000, 0.0001157900000000, 0.0010728500000000 ] - [ 0.0104064800000000, 0.0005788800000000, 0.0009149700000000 ] - [ 0.0017638300000000, -0.0012778200000000, 0.0000314000000000 ] - [ -0.0105590900000000, 0.0005488800000000, 0.0043036900000000 ] - [ -0.0020984500000000, 0.0019855300000000, -0.0025351900000000 ] - [ 0.0011201600000000, -0.0005667100000000, -0.0001544300000000 ] - [ 0.0014130200000000, 0.0022183900000000, -0.0027339100000000 ] - [ 0.0005837100000000, 0.0000493600000000, -0.0008094900000000 ] - [ 0.0133269300000000, 0.0010546700000000, 0.0035529200000000 ] - [ -0.0003150200000000, 0.0010404100000000, 0.0012858600000000 ] - [ -0.0020596900000000, 0.0098181400000000, 0.0047117900000000 ] - [ 0.0004649700000000, 0.0000630100000000, 0.0005360600000000 ] - [ -0.0035550600000000, 0.0012407500000000, -0.0227944200000000 ] - [ 0.0005786400000000, -0.0000593500000000, -0.0000381300000000 ] - [ 0.0059090400000000, 0.0036155600000000, -0.0170147500000000 ] - [ 0.0004984400000000, 0.0002393000000000, -0.0002826700000000 ] - [ -0.0008093000000000, 0.0000661600000000, 0.0068826600000000 ] - [ -0.0003491000000000, -0.0001686700000000, 0.0001813500000000 ] - [ -0.0009847600000000, 0.0000774800000000, -0.0027453400000000 ] - [ -0.0001697000000000, -0.0000167200000000, -0.0002012600000000 ] - [ -0.0020541100000000, -0.0005575400000000, 0.0088241300000000 ] - [ -0.0003375500000000, -0.0000793600000000, 0.0002349600000000 ] - [ -0.0001449600000000, 0.0016067900000000, 0.0010770300000000 ] - [ -0.0001580800000000, 0.0000384600000000, 0.0001952400000000 ] - [ 0.0006417100000000, 0.0015114200000000, -0.0039995100000000 ] - [ -0.0001444400000000, 0.0001319900000000, -0.0000977400000000 ] - [ 0.0159642500000000, -0.0161294600000000, -0.0203286000000000 ] - [ -0.0001977200000000, -0.0001976300000000, -0.0002451400000000 ] - [ -0.0168136200000000, -0.0180589600000000, -0.0223854200000000 ] - [ -0.0005619300000000, 0.0002381200000000, 0.0001271300000000 ] - [ -0.0012053600000000, 0.0003791000000000, 0.0021791000000000 ] - [ -0.0000708300000000, -0.0000774000000000, -0.0000970900000000 ] - [ -0.0004607900000000, 0.0001299300000000, 0.0006339800000000 ] - [ 0.0015184700000000, 0.0001762100000000, 0.0010645900000000 ] - [ -0.0000706200000000, -0.0001878600000000, -0.0002367200000000 ] - [ -0.0024893800000000, 0.0015597200000000, 0.0000812400000000 ] - [ -0.0003826500000000, 0.0004859100000000, -0.0001605500000000 ] - [ 0.0016742800000000, 0.0022023900000000, -0.0009351700000000 ] - [ 0.0000472000000000, 0.0004049500000000, -0.0006152500000000 ] - [ -0.0025347800000000, -0.0015566600000000, -0.0030698800000000 ] - [ 0.0000895900000000, -0.0001567400000000, -0.0002861100000000 ] - [ -0.0004160700000000, 0.0005132700000000, 0.0015060300000000 ] - [ -0.0005115000000000, -0.0003322300000000, 0.0008143800000000 ] - [ -0.0000138300000000, -0.0003047100000000, 0.0013963700000000 ] - [ -0.0026609300000000, 0.0003440900000000, -0.0006751000000000 ] - [ 0.0014824300000000, -0.0012649500000000, -0.0022517800000000 ] - [ 0.0008527200000000, -0.0006900500000000, 0.0000515500000000 ] - [ -0.0010548500000000, 0.0004798500000000, 0.0003549200000000 ] - [ -0.0023512700000000, 0.0018905100000000, -0.0005485900000000 ] - [ 0.0021664800000000, -0.0007699000000000, -0.0005319700000000 ] - [ 0.0003960600000000, -0.0007652200000000, 0.0012584700000000 ] - [ -0.0006649900000000, 0.0001680600000000, 0.0003395200000000 ] - [ 0.0010991200000000, 0.0003374900000000, -0.0033389500000000 ] - [ -0.0019569900000000, -0.0000473000000000, -0.0014984200000000 ] - [ -0.0009618400000000, -0.0022517500000000, 0.0005508800000000 ] - [ -0.0001169400000000, -0.0000829400000000, 0.0000301200000000 ] - [ -0.0000680700000000, -0.0010543400000000, 0.0016426100000000 ] - [ -0.0000297200000000, 0.0001937300000000, 0.0004012800000000 ] - [ 0.0018613800000000, -0.0009676200000000, 0.0015927400000000 ] - [ -0.0004647600000000, 0.0000125500000000, 0.0002342700000000 ] - [ -0.0012766700000000, -0.0007609500000000, 0.0020119300000000 ] - [ -0.0002698600000000, -0.0002007400000000, 0.0000606000000000 ] - [ 0.0028295800000000, -0.0008918600000000, 0.0002789400000000 ] - [ -0.0004195200000000, 0.0001458200000000, -0.0001879000000000 ] - [ 0.0163414200000000, 0.0170655100000000, -0.0225577000000000 ] - [ -0.0001054900000000, -0.0001069700000000, -0.0001801600000000 ] - [ 0.0010465600000000, -0.0013686900000000, 0.0020320700000000 ] - [ -0.0002373700000000, 0.0000462400000000, -0.0001456500000000 ] - [ -0.0007242600000000, -0.0019990600000000, 0.0012805200000000 ] - [ -0.0002424300000000, -0.0003021500000000, 0.0000212300000000 ] - [ 0.0006335400000000, 0.0021830700000000, 0.0091817400000000 ] - [ -0.0002257400000000, -0.0000452400000000, 0.0001248200000000 ] - [ -0.0175264800000000, 0.0169045100000000, -0.0216732200000000 ] - [ -0.0000781800000000, -0.0000236500000000, -0.0001249000000000 ] - [ -0.0012530300000000, 0.0016827400000000, -0.0047808900000000 ] - [ -0.0001698200000000, 0.0000307700000000, -0.0002509200000000 ] - [ -0.0009003600000000, 0.0011335400000000, 0.0084061800000000 ] - [ -0.0002374700000000, -0.0001421800000000, 0.0002727300000000 ] - [ 0.0012114800000000, 0.0006226600000000, -0.0009992800000000 ] - [ -0.0004114500000000, 0.0000181000000000, -0.0001650600000000 ]- atom: 11 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ 0.0008741600000000, 0.0002916500000000, 0.0003011600000000 ] - [ -0.0001743200000000, -0.0010182500000000, -0.0021006100000000 ] - [ 0.0014696600000000, 0.0006345200000000, -0.0004201800000000 ] - [ 0.0029104600000000, -0.0013621800000000, 0.0018847400000000 ] - [ -0.0000449400000000, -0.0002096600000000, -0.0002263400000000 ] - [ 0.0003950300000000, 0.0001324500000000, -0.0002376400000000 ] - [ 0.0003044400000000, -0.0019999900000000, 0.0013531500000000 ] - [ 0.0011120600000000, 0.0004212000000000, -0.0000283600000000 ] - [ -0.0000789100000000, 0.0039083700000000, -0.0032187900000000 ] - [ 0.0015086100000000, -0.0002881400000000, 0.0001607500000000 ] - [ -0.1240911000000000, -0.0090090200000000, 0.0004748700000000 ] - [ 0.0020836900000000, 0.0002999300000000, -0.0000578800000000 ] - [ 0.0017215900000000, -0.0002395300000000, -0.0000533200000000 ] - [ -0.0033210400000000, 0.0002201400000000, -0.0002508700000000 ] - [ 0.0017769000000000, -0.0002809700000000, -0.0004933600000000 ] - [ 0.0002869900000000, 0.0033309100000000, 0.0039266300000000 ] - [ 0.0009233200000000, 0.0002034700000000, -0.0002693600000000 ] - [ 0.0008994300000000, 0.0000723400000000, 0.0004594000000000 ] - [ 0.0012224300000000, 0.0002297500000000, 0.0002073200000000 ] - [ 0.0006312600000000, -0.0004808500000000, -0.0006793100000000 ] - [ -0.0091318100000000, -0.0128084000000000, 0.0027401200000000 ] - [ 0.0041479800000000, 0.0016259400000000, -0.0012455000000000 ] - [ -0.0076647700000000, -0.0001940200000000, -0.0066064100000000 ] - [ 0.0033078000000000, -0.0002315800000000, 0.0001801100000000 ] - [ -0.0103257400000000, 0.0020784600000000, 0.0138260500000000 ] - [ 0.0034320300000000, 0.0003752000000000, -0.0018322400000000 ] - [ 0.0039583200000000, -0.0013179200000000, -0.0011193700000000 ] - [ -0.0093094800000000, 0.0100279600000000, -0.0004325500000000 ] - [ 0.0031096300000000, 0.0001079400000000, -0.0000878700000000 ] - [ -0.0062591800000000, -0.0115164300000000, 0.0012266100000000 ] - [ 0.0036562900000000, -0.0010632000000000, -0.0012633800000000 ] - [ -0.0075623700000000, 0.0011874700000000, 0.0116835300000000 ] - [ 0.0056508100000000, -0.0028124000000000, 0.0015610800000000 ] - [ 0.0174959300000000, 0.0027417900000000, -0.0060575500000000 ] - [ 0.0024616500000000, -0.0007199000000000, 0.0002264200000000 ] - [ 0.0006004900000000, 0.0025187900000000, -0.0019328400000000 ] - [ 0.0028453300000000, -0.0005839600000000, 0.0007014000000000 ] - [ 0.0001029700000000, 0.0005998100000000, 0.0004761400000000 ] - [ 0.0131817100000000, -0.0063392900000000, -0.0048166400000000 ] - [ 0.0061239900000000, 0.0015205400000000, 0.0028028500000000 ] - [ 0.0131566200000000, 0.0059820600000000, 0.0057630700000000 ] - [ 0.0061798700000000, -0.0015807800000000, -0.0006953600000000 ] - [ 0.0005486200000000, 0.0018488800000000, 0.0020341400000000 ] - [ 0.0022282500000000, 0.0003781800000000, -0.0008558100000000 ] - [ 0.0013439200000000, -0.0020746500000000, -0.0007588500000000 ] - [ -0.0018707700000000, -0.0002978200000000, 0.0003688200000000 ] - [ 0.0243170800000000, -0.0147092900000000, -0.0174276100000000 ] - [ -0.0025458200000000, -0.0006885500000000, -0.0002655200000000 ] - [ 0.0262008300000000, 0.0174276000000000, 0.0167153100000000 ] - [ -0.0029681000000000, -0.0003219300000000, 0.0009775500000000 ] - [ 0.0009099400000000, 0.0010131000000000, -0.0009631200000000 ] - [ -0.0008154100000000, -0.0001348600000000, 0.0003333200000000 ] - [ 0.0020340000000000, 0.0028181000000000, 0.0011052200000000 ] - [ -0.0008977400000000, -0.0002031500000000, 0.0001138400000000 ] - [ 0.0065028400000000, 0.0022451000000000, 0.0000684900000000 ] - [ -0.0019238400000000, -0.0004351200000000, 0.0001107700000000 ] - [ 0.0049069400000000, -0.0009563400000000, -0.0007543000000000 ] - [ -0.0017124300000000, 0.0002085400000000, 0.0003856600000000 ] - [ 0.0083219300000000, 0.0023030700000000, -0.0034155300000000 ] - [ -0.0025475000000000, -0.0001244900000000, 0.0008741600000000 ] - [ -0.0024817600000000, 0.0001410200000000, 0.0009093700000000 ] - [ 0.0080110100000000, 0.0000857300000000, -0.0026308900000000 ] - [ -0.0019892200000000, 0.0000576900000000, 0.0002900800000000 ] - [ 0.0050954200000000, 0.0004592200000000, -0.0017929500000000 ] - [ -0.0021916000000000, 0.0003525800000000, 0.0003152400000000 ] - [ 0.0061277400000000, -0.0013794000000000, -0.0031352100000000 ] - [ -0.0012057600000000, 0.0002750800000000, 0.0003104900000000 ] - [ 0.0224080900000000, -0.0136331500000000, 0.0123755200000000 ] - [ -0.0006909200000000, 0.0001651900000000, 0.0002575200000000 ] - [ 0.0008154900000000, 0.0005652100000000, 0.0003587200000000 ] - [ -0.0018078400000000, 0.0001404400000000, 0.0003283000000000 ] - [ 0.0015611800000000, -0.0009892600000000, 0.0018841500000000 ] - [ -0.0017286200000000, 0.0004001900000000, 0.0000902700000000 ] - [ 0.0013696800000000, 0.0006903200000000, -0.0021824900000000 ] - [ -0.0034019500000000, 0.0009667700000000, 0.0003054900000000 ] - [ 0.0291170900000000, 0.0211136700000000, -0.0192080300000000 ] - [ -0.0024033600000000, 0.0001995500000000, 0.0002873100000000 ] - [ 0.0014762400000000, -0.0001367600000000, -0.0008102800000000 ] - [ -0.0015952500000000, 0.0007445000000000, -0.0003054300000000 ] - [ -0.0003116100000000, -0.0023963800000000, 0.0006163100000000 ] - [ -0.0019564100000000, -0.0001512200000000, 0.0000047700000000 ] - [ -0.0001989900000000, 0.0005098800000000, -0.0007858800000000 ] - [ -0.0008192800000000, 0.0002756700000000, -0.0002057500000000 ] - [ -0.0000569400000000, -0.0004758400000000, 0.0004602800000000 ] - [ -0.0007113000000000, 0.0008269000000000, -0.0008704900000000 ] - [ -0.0007098500000000, -0.0015311200000000, 0.0031562100000000 ] - [ -0.0032349800000000, 0.0005615300000000, -0.0004847900000000 ] - [ -0.0060006400000000, 0.0016906500000000, 0.0012581600000000 ] - [ -0.0011343000000000, -0.0000527400000000, -0.0005453900000000 ] - [ -0.0006060000000000, -0.0005306800000000, 0.0003871500000000 ] - [ -0.0034577500000000, 0.0007528200000000, 0.0001054300000000 ] - [ -0.0055734400000000, -0.0012216700000000, -0.0018108900000000 ] - [ -0.0011334800000000, -0.0002157800000000, -0.0005115000000000 ] - [ -0.0007318700000000, 0.0000017300000000, 0.0000582400000000 ] - [ -0.0045248700000000, 0.0009514100000000, -0.0005932100000000 ] - [ -0.0030457700000000, 0.0000620700000000, -0.0006035800000000 ] - [ -0.0007071300000000, -0.0005924300000000, -0.0003010000000000 ] - [ -0.0010747200000000, -0.0006773000000000, 0.0001225400000000 ] - [ -0.0006414600000000, -0.0029428500000000, -0.0014089400000000 ] - [ -0.0008120000000000, 0.0008193300000000, 0.0004797100000000 ] - [ -0.0046714400000000, -0.0004434700000000, 0.0003751700000000 ] - [ -0.0011132400000000, 0.0003628000000000, -0.0007609100000000 ] - [ 0.0003834000000000, 0.0003947300000000, 0.0026694700000000 ] - [ -0.0019133600000000, -0.0001404200000000, -0.0011226800000000 ] - [ -0.0003711300000000, -0.0008483400000000, -0.0024063000000000 ] - [ -0.0016588200000000, 0.0000625000000000, 0.0010097600000000 ] - [ 0.0012585600000000, 0.0031835600000000, -0.0001896800000000 ] - [ -0.0025574000000000, -0.0012044700000000, -0.0002256200000000 ]- atom: 11 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ -0.0011507700000000, 0.0000324900000000, -0.0003053800000000 ] - [ -0.0001101900000000, 0.0013306800000000, 0.0020877300000000 ] - [ -0.0012809100000000, -0.0003771800000000, 0.0006465300000000 ] - [ -0.0026843200000000, 0.0015905300000000, -0.0016324800000000 ] - [ -0.0001475500000000, 0.0004666400000000, -0.0000019000000000 ] - [ -0.0005939300000000, 0.0001281300000000, 0.0000124400000000 ] - [ -0.0000201300000000, 0.0023379800000000, -0.0013635400000000 ] - [ -0.0008353600000000, -0.0000947000000000, 0.0000318400000000 ] - [ 0.0002725400000000, -0.0039108700000000, 0.0032374400000000 ] - [ -0.0013342500000000, 0.0003062000000000, -0.0001627100000000 ] - [ 0.1239366000000000, 0.0083315400000000, 0.0002030100000000 ] - [ -0.0022634800000000, -0.0003521900000000, 0.0001556600000000 ] - [ -0.0015397100000000, 0.0001909400000000, -0.0000450400000000 ] - [ 0.0035063900000000, -0.0002711700000000, 0.0001505600000000 ] - [ -0.0019536300000000, 0.0003052700000000, 0.0004982700000000 ] - [ -0.0004774600000000, -0.0032755900000000, -0.0038913500000000 ] - [ -0.0009437100000000, -0.0001724400000000, 0.0003725100000000 ] - [ -0.0009361200000000, -0.0000369600000000, -0.0003578800000000 ] - [ -0.0011900800000000, -0.0001964200000000, -0.0003077100000000 ] - [ -0.0006136800000000, 0.0005114800000000, 0.0005761500000000 ] - [ 0.0094237700000000, 0.0128442700000000, -0.0027725400000000 ] - [ -0.0038816100000000, -0.0015386800000000, 0.0012099300000000 ] - [ 0.0077149000000000, 0.0000152900000000, 0.0064912400000000 ] - [ -0.0032775800000000, 0.0000485000000000, -0.0002607500000000 ] - [ 0.0098561800000000, -0.0022043500000000, -0.0138406600000000 ] - [ -0.0039226700000000, -0.0005186800000000, 0.0017487200000000 ] - [ -0.0034665900000000, 0.0011795900000000, 0.0011913000000000 ] - [ 0.0097945500000000, -0.0101997400000000, 0.0005194500000000 ] - [ -0.0031384300000000, -0.0002939500000000, 0.0001758400000000 ] - [ 0.0061901200000000, 0.0113833300000000, -0.0011306900000000 ] - [ -0.0039195500000000, 0.0011459600000000, 0.0013025700000000 ] - [ 0.0072738700000000, -0.0011145400000000, -0.0116839500000000 ] - [ -0.0056432100000000, 0.0027022700000000, -0.0013571900000000 ] - [ -0.0174272000000000, -0.0027259800000000, 0.0061711500000000 ] - [ -0.0023502500000000, 0.0007160800000000, -0.0004967400000000 ] - [ -0.0005187500000000, -0.0025233000000000, 0.0016732100000000 ] - [ -0.0025582800000000, 0.0006346600000000, -0.0008617300000000 ] - [ 0.0001518700000000, -0.0005388700000000, -0.0006540600000000 ] - [ -0.0134934000000000, 0.0065076200000000, 0.0050879100000000 ] - [ -0.0063678000000000, -0.0014617900000000, -0.0026304600000000 ] - [ -0.0132698400000000, -0.0060775400000000, -0.0056255700000000 ] - [ -0.0062574700000000, 0.0015651800000000, 0.0009555600000000 ] - [ -0.0005546900000000, -0.0019576700000000, -0.0022431600000000 ] - [ -0.0022701700000000, -0.0005067300000000, 0.0006398500000000 ] - [ -0.0012163400000000, 0.0019175200000000, 0.0008519700000000 ] - [ 0.0020173600000000, 0.0001545200000000, -0.0002753200000000 ] - [ -0.0247915900000000, 0.0156128700000000, 0.0181813300000000 ] - [ 0.0026377000000000, 0.0007417700000000, 0.0001925300000000 ] - [ -0.0269926100000000, -0.0184535600000000, -0.0177742300000000 ] - [ 0.0028115300000000, 0.0000942900000000, -0.0010179700000000 ] - [ -0.0010344600000000, -0.0010441300000000, 0.0011050400000000 ] - [ 0.0007018300000000, 0.0000994900000000, -0.0001929700000000 ] - [ -0.0019275800000000, -0.0025063300000000, -0.0010860700000000 ] - [ 0.0010033600000000, 0.0005064500000000, -0.0001057800000000 ] - [ -0.0063829200000000, -0.0022642700000000, -0.0001733600000000 ] - [ 0.0020521100000000, 0.0004067100000000, -0.0002223600000000 ] - [ -0.0047839900000000, 0.0010873900000000, 0.0008990800000000 ] - [ 0.0018436600000000, -0.0000735800000000, -0.0002362600000000 ] - [ -0.0083395100000000, -0.0022759000000000, 0.0032778500000000 ] - [ 0.0025508100000000, 0.0001488100000000, -0.0010078700000000 ] - [ 0.0024802800000000, -0.0001145300000000, -0.0007749700000000 ] - [ -0.0079999300000000, -0.0000650400000000, 0.0027631100000000 ] - [ 0.0018558900000000, 0.0000751800000000, -0.0004407400000000 ] - [ -0.0052197700000000, -0.0003357700000000, 0.0016431400000000 ] - [ 0.0020603200000000, -0.0003806400000000, -0.0002049800000000 ] - [ -0.0062443800000000, 0.0013623500000000, 0.0032416000000000 ] - [ 0.0011001600000000, 0.0000353000000000, -0.0003210600000000 ] - [ -0.0222448700000000, 0.0132983600000000, -0.0118029600000000 ] - [ 0.0008041000000000, -0.0002027100000000, -0.0004017700000000 ] - [ -0.0006900700000000, -0.0006056500000000, -0.0005154200000000 ] - [ 0.0019551500000000, -0.0003689800000000, -0.0002788200000000 ] - [ -0.0014006500000000, 0.0007615300000000, -0.0018483500000000 ] - [ 0.0016267200000000, -0.0003425900000000, -0.0000200400000000 ] - [ -0.0014612900000000, -0.0006464600000000, 0.0022671500000000 ] - [ 0.0032604500000000, -0.0011152000000000, -0.0003998400000000 ] - [ -0.0283456400000000, -0.0200836800000000, 0.0181757900000000 ] - [ 0.0024578100000000, -0.0001641700000000, -0.0000985400000000 ] - [ -0.0014024900000000, 0.0001727800000000, 0.0010025200000000 ] - [ 0.0016238500000000, -0.0009354700000000, 0.0001143100000000 ] - [ 0.0003661800000000, 0.0022144700000000, -0.0008065600000000 ] - [ 0.0018132700000000, 0.0000732900000000, 0.0000910100000000 ] - [ 0.0000749600000000, -0.0005905100000000, 0.0008859200000000 ] - [ 0.0006282000000000, -0.0003017800000000, 0.0002688500000000 ] - [ -0.0001257500000000, 0.0004459000000000, -0.0003977400000000 ] - [ 0.0007832700000000, -0.0007918000000000, 0.0009102700000000 ] - [ 0.0007869800000000, 0.0015594600000000, -0.0031179800000000 ] - [ 0.0031465700000000, -0.0008137300000000, 0.0006125900000000 ] - [ 0.0058614500000000, -0.0019627100000000, -0.0011124000000000 ] - [ 0.0009149700000000, 0.0000138700000000, 0.0005913800000000 ] - [ 0.0004007800000000, 0.0004940200000000, -0.0003357200000000 ] - [ 0.0035794700000000, -0.0006093400000000, 0.0000239000000000 ] - [ 0.0056453100000000, 0.0013461800000000, 0.0019437100000000 ] - [ 0.0009993400000000, 0.0003652300000000, 0.0003741200000000 ] - [ 0.0006150600000000, 0.0001463600000000, -0.0001881600000000 ] - [ 0.0047870900000000, -0.0009899800000000, 0.0005455900000000 ] - [ 0.0032615800000000, -0.0001020200000000, 0.0005616700000000 ] - [ 0.0007840700000000, 0.0003343700000000, 0.0001783200000000 ] - [ 0.0011675300000000, 0.0004259400000000, -0.0002459400000000 ] - [ 0.0005649600000000, 0.0029866200000000, 0.0013835200000000 ] - [ 0.0007419800000000, -0.0007728800000000, -0.0005108300000000 ] - [ 0.0049234000000000, 0.0004220100000000, -0.0004283400000000 ] - [ 0.0012993000000000, -0.0003830400000000, 0.0006945100000000 ] - [ -0.0002627800000000, -0.0004860900000000, -0.0027745200000000 ] - [ 0.0020559500000000, 0.0000592400000000, 0.0010157700000000 ] - [ 0.0003137300000000, 0.0006650500000000, 0.0025979200000000 ] - [ 0.0016266400000000, -0.0002459400000000, -0.0008105600000000 ] - [ -0.0013454400000000, -0.0031540800000000, -0.0000117900000000 ] - [ 0.0024989300000000, 0.0012299800000000, 0.0000323700000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001540100000000, 0.0002203000000000, 0.0000533100000000 ] - [ -0.0022539800000000, 0.0011146800000000, 0.0009905700000000 ] - [ 0.0004928300000000, 0.0000399500000000, -0.0000350000000000 ] - [ -0.0021834100000000, -0.0007706400000000, 0.0004359200000000 ] - [ -0.0003078400000000, 0.0004997300000000, 0.0002566800000000 ] - [ -0.0000813100000000, 0.0003006900000000, -0.0001383600000000 ] - [ -0.0017293000000000, 0.0006558700000000, -0.0018233700000000 ] - [ 0.0003980700000000, 0.0002864200000000, -0.0000793200000000 ] - [ 0.0033923500000000, 0.0023429800000000, -0.0029071400000000 ] - [ -0.0000337900000000, -0.0001662500000000, 0.0001603600000000 ] - [ -0.0090819200000000, -0.1148394300000000, -0.0005699300000000 ] - [ 0.0002362300000000, -0.0001228600000000, 0.0000008900000000 ] - [ 0.0003068600000000, 0.0000281500000000, -0.0000455000000000 ] - [ -0.0001549900000000, 0.0017290000000000, -0.0003306600000000 ] - [ -0.0001632200000000, 0.0002146800000000, 0.0001885900000000 ] - [ 0.0027451100000000, 0.0018690300000000, 0.0036635500000000 ] - [ -0.0001219400000000, 0.0009421700000000, -0.0004792600000000 ] - [ -0.0002486700000000, 0.0008954100000000, 0.0006850300000000 ] - [ 0.0002921800000000, -0.0008250100000000, 0.0005616100000000 ] - [ -0.0003149200000000, -0.0009667700000000, -0.0006175900000000 ] - [ -0.0031634500000000, 0.0180933000000000, 0.0066098300000000 ] - [ 0.0006987400000000, 0.0005342700000000, -0.0001068500000000 ] - [ 0.0004917200000000, -0.0049763000000000, 0.0094128800000000 ] - [ 0.0005411200000000, -0.0001869400000000, 0.0000987200000000 ] - [ 0.0002581900000000, -0.0029075500000000, 0.0110393900000000 ] - [ 0.0002184100000000, -0.0002499100000000, -0.0003593400000000 ] - [ 0.0007870500000000, 0.0000127200000000, -0.0002528900000000 ] - [ 0.0055855500000000, 0.0184563900000000, -0.0046620100000000 ] - [ 0.0005118900000000, 0.0000276800000000, 0.0000746500000000 ] - [ -0.0036448800000000, 0.0242085900000000, -0.0000785300000000 ] - [ 0.0004880000000000, -0.0003562700000000, -0.0000661300000000 ] - [ -0.0016482000000000, -0.0043904200000000, -0.0081746300000000 ] - [ -0.0000212000000000, -0.0015067300000000, -0.0006082600000000 ] - [ 0.0123188900000000, -0.0047934800000000, -0.0019855300000000 ] - [ 0.0005881000000000, 0.0004604600000000, -0.0001328400000000 ] - [ 0.0013338700000000, 0.0026628200000000, -0.0021460900000000 ] - [ 0.0011100300000000, 0.0001699300000000, 0.0004349300000000 ] - [ -0.0020089800000000, 0.0026063000000000, -0.0023567400000000 ] - [ -0.0109905600000000, -0.0046896200000000, -0.0006587600000000 ] - [ 0.0016186900000000, 0.0000572900000000, 0.0014740300000000 ] - [ 0.0114211600000000, -0.0018502900000000, -0.0004509800000000 ] - [ 0.0003016500000000, -0.0012232200000000, -0.0000890200000000 ] - [ 0.0015138900000000, 0.0023787900000000, 0.0007818700000000 ] - [ -0.0001891600000000, 0.0004133100000000, -0.0007489600000000 ] - [ -0.0007170000000000, -0.0020393700000000, -0.0003445800000000 ] - [ -0.0000238900000000, -0.0000494200000000, 0.0001414700000000 ] - [ -0.0165077500000000, 0.0219003900000000, 0.0170063600000000 ] - [ -0.0005840300000000, -0.0001435500000000, -0.0002177200000000 ] - [ 0.0144859700000000, 0.0203168200000000, 0.0153930900000000 ] - [ -0.0004279700000000, 0.0000396600000000, 0.0002002300000000 ] - [ 0.0003287000000000, 0.0047881300000000, -0.0021140300000000 ] - [ -0.0002148400000000, 0.0000956400000000, 0.0000977400000000 ] - [ 0.0000622300000000, -0.0005459500000000, -0.0017797600000000 ] - [ -0.0000698200000000, 0.0000300700000000, -0.0000225200000000 ] - [ -0.0021930200000000, -0.0090226800000000, 0.0001999500000000 ] - [ -0.0001781800000000, -0.0001986900000000, -0.0000860000000000 ] - [ -0.0009843500000000, 0.0026290600000000, 0.0004252100000000 ] - [ -0.0001606500000000, 0.0002040200000000, 0.0001045200000000 ] - [ -0.0003452300000000, -0.0060289900000000, -0.0010215700000000 ] - [ -0.0004072600000000, -0.0000837900000000, 0.0000507100000000 ] - [ -0.0003869400000000, 0.0000652800000000, 0.0001437000000000 ] - [ 0.0011942100000000, -0.0000239500000000, -0.0008561700000000 ] - [ -0.0002829000000000, -0.0000810100000000, -0.0000089500000000 ] - [ -0.0008594200000000, -0.0075856500000000, -0.0009939300000000 ] - [ -0.0003078300000000, 0.0001945800000000, -0.0000093800000000 ] - [ -0.0011959300000000, 0.0050814800000000, -0.0023676400000000 ] - [ -0.0002282100000000, 0.0002470800000000, 0.0000224900000000 ] - [ -0.0165023900000000, 0.0202886200000000, -0.0162059800000000 ] - [ -0.0000993600000000, -0.0001047500000000, -0.0000251600000000 ] - [ 0.0007047100000000, -0.0089615900000000, -0.0033305700000000 ] - [ -0.0002535300000000, -0.0001511400000000, 0.0001548500000000 ] - [ -0.0005241700000000, -0.0014321100000000, 0.0020972400000000 ] - [ -0.0004237800000000, 0.0000972100000000, -0.0000057100000000 ] - [ 0.0007669300000000, -0.0020278500000000, 0.0014029500000000 ] - [ -0.0003035100000000, 0.0000148600000000, 0.0001340600000000 ] - [ 0.0209789400000000, 0.0256848000000000, -0.0177366800000000 ] - [ -0.0004600400000000, 0.0002455200000000, 0.0000204400000000 ] - [ 0.0025233000000000, -0.0003170400000000, 0.0011624200000000 ] - [ -0.0001310500000000, -0.0000745700000000, 0.0001188900000000 ] - [ -0.0011858400000000, -0.0020192000000000, 0.0004059900000000 ] - [ -0.0004065400000000, -0.0002434600000000, -0.0000602000000000 ] - [ 0.0020657900000000, -0.0016257600000000, 0.0007584300000000 ] - [ -0.0001348700000000, -0.0003511300000000, -0.0002244200000000 ] - [ -0.0001814100000000, -0.0014288200000000, 0.0009127800000000 ] - [ 0.0000105500000000, 0.0000451900000000, -0.0000218800000000 ] - [ -0.0005738100000000, -0.0008338600000000, 0.0024109100000000 ] - [ -0.0022140900000000, 0.0015656900000000, 0.0001104100000000 ] - [ 0.0007654900000000, 0.0036290100000000, -0.0004820500000000 ] - [ -0.0007460500000000, -0.0003885000000000, -0.0002782300000000 ] - [ 0.0002754600000000, -0.0012603900000000, 0.0009456600000000 ] - [ 0.0021641200000000, 0.0004344700000000, 0.0006352000000000 ] - [ -0.0020284500000000, 0.0006904800000000, -0.0016234700000000 ] - [ -0.0007982500000000, -0.0003758600000000, -0.0004699600000000 ] - [ 0.0007785300000000, -0.0001440700000000, 0.0003979800000000 ] - [ 0.0014615500000000, 0.0027310500000000, 0.0014957700000000 ] - [ -0.0022152800000000, 0.0006335700000000, -0.0005845600000000 ] - [ -0.0001024400000000, -0.0012699900000000, -0.0000686500000000 ] - [ -0.0004878600000000, -0.0008794100000000, 0.0001859200000000 ] - [ -0.0005633900000000, -0.0014886100000000, -0.0003363600000000 ] - [ -0.0000227100000000, 0.0002642300000000, 0.0000816600000000 ] - [ -0.0023757300000000, 0.0032327000000000, 0.0016190500000000 ] - [ 0.0001654000000000, 0.0006053900000000, -0.0003335100000000 ] - [ 0.0015004300000000, 0.0008326500000000, -0.0021883900000000 ] - [ -0.0002725600000000, 0.0000908300000000, -0.0004791300000000 ] - [ -0.0020809300000000, -0.0004605600000000, -0.0014753600000000 ] - [ -0.0000638900000000, 0.0000765900000000, 0.0004069900000000 ] - [ 0.0018863200000000, -0.0010070000000000, -0.0002674300000000 ] - [ -0.0003544100000000, -0.0005055900000000, -0.0002421800000000 ]- atom: 11 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004270800000000, 0.0000975000000000, -0.0000618400000000 ] - [ 0.0019920700000000, -0.0007929100000000, -0.0010131600000000 ] - [ -0.0002970300000000, 0.0002185800000000, 0.0002595300000000 ] - [ 0.0023758200000000, 0.0010341500000000, -0.0002112900000000 ] - [ 0.0001118500000000, -0.0002438600000000, -0.0004813600000000 ] - [ -0.0001119400000000, -0.0000437000000000, -0.0000886000000000 ] - [ 0.0019890200000000, -0.0003464400000000, 0.0018193900000000 ] - [ -0.0001225300000000, 0.0000303100000000, 0.0000900500000000 ] - [ -0.0032442500000000, -0.0023115300000000, 0.0029355200000000 ] - [ 0.0002168100000000, 0.0001882700000000, -0.0001629100000000 ] - [ 0.0082502100000000, 0.1148066500000000, 0.0002601900000000 ] - [ -0.0004161500000000, 0.0000695300000000, 0.0000966800000000 ] - [ -0.0001247100000000, -0.0000793600000000, -0.0000538200000000 ] - [ 0.0003358300000000, -0.0017772700000000, 0.0002319100000000 ] - [ -0.0000167000000000, -0.0001933400000000, -0.0001893500000000 ] - [ -0.0028954800000000, -0.0018561400000000, -0.0036328300000000 ] - [ 0.0000874600000000, -0.0009091300000000, 0.0005746300000000 ] - [ 0.0002290300000000, -0.0008649600000000, -0.0005877700000000 ] - [ -0.0002603100000000, 0.0008557600000000, -0.0006584000000000 ] - [ 0.0003421700000000, 0.0009981900000000, 0.0005204900000000 ] - [ 0.0033075900000000, -0.0180105400000000, -0.0065140800000000 ] - [ -0.0004274300000000, -0.0004568600000000, 0.0000817700000000 ] - [ -0.0004688500000000, 0.0047590300000000, -0.0095487300000000 ] - [ -0.0005095100000000, -0.0000054000000000, -0.0002038600000000 ] - [ -0.0007903700000000, 0.0028001200000000, -0.0110672400000000 ] - [ -0.0007257500000000, 0.0001073800000000, 0.0002764600000000 ] - [ -0.0002762500000000, -0.0001610500000000, 0.0003334800000000 ] - [ -0.0049351100000000, -0.0186081500000000, 0.0046430100000000 ] - [ -0.0005409100000000, -0.0002206500000000, 0.0000290600000000 ] - [ 0.0037284100000000, -0.0244247800000000, 0.0003294200000000 ] - [ -0.0007545000000000, 0.0004377200000000, 0.0000916200000000 ] - [ 0.0013702100000000, 0.0044789300000000, 0.0081880800000000 ] - [ 0.0000628000000000, 0.0014067800000000, 0.0008221600000000 ] - [ -0.0123386700000000, 0.0046874700000000, 0.0022101100000000 ] - [ -0.0004890200000000, -0.0004727900000000, -0.0001259900000000 ] - [ -0.0012187500000000, -0.0026814100000000, 0.0018884100000000 ] - [ -0.0008330300000000, -0.0001136100000000, -0.0006018400000000 ] - [ 0.0022921300000000, -0.0025435600000000, 0.0021958900000000 ] - [ 0.0107613000000000, 0.0047190500000000, 0.0008281900000000 ] - [ -0.0018950200000000, -0.0000036700000000, -0.0013064400000000 ] - [ -0.0114752700000000, 0.0018677600000000, 0.0006944000000000 ] - [ -0.0004044400000000, 0.0012175600000000, 0.0003493700000000 ] - [ -0.0015538300000000, -0.0024629200000000, -0.0009937200000000 ] - [ 0.0001582000000000, -0.0005049600000000, 0.0005387900000000 ] - [ 0.0008847200000000, 0.0018637600000000, 0.0004329700000000 ] - [ 0.0001828700000000, -0.0001125900000000, -0.0000548800000000 ] - [ 0.0158302200000000, -0.0213682900000000, -0.0163175300000000 ] - [ 0.0007028000000000, 0.0001864800000000, 0.0001344100000000 ] - [ -0.0152377100000000, -0.0207421100000000, -0.0160710200000000 ] - [ 0.0002923700000000, -0.0002618100000000, -0.0002338700000000 ] - [ -0.0004524900000000, -0.0048017100000000, 0.0022750000000000 ] - [ 0.0000941100000000, -0.0001170900000000, 0.0000652500000000 ] - [ 0.0000523400000000, 0.0008945700000000, 0.0017861800000000 ] - [ 0.0001738500000000, 0.0002914000000000, 0.0000406200000000 ] - [ 0.0023182100000000, 0.0090622400000000, -0.0003278700000000 ] - [ 0.0003001200000000, 0.0001825500000000, -0.0000202900000000 ] - [ 0.0011144500000000, -0.0025061000000000, -0.0002944400000000 ] - [ 0.0002878200000000, -0.0000763500000000, 0.0000396500000000 ] - [ 0.0003195400000000, 0.0059691100000000, 0.0008782400000000 ] - [ 0.0003921200000000, 0.0001005400000000, -0.0001976300000000 ] - [ 0.0004034900000000, -0.0000482000000000, 0.0000018900000000 ] - [ -0.0011578700000000, 0.0000292100000000, 0.0009956200000000 ] - [ 0.0001546900000000, 0.0002091400000000, -0.0001357300000000 ] - [ 0.0007259400000000, 0.0076594700000000, 0.0008433100000000 ] - [ 0.0001828600000000, -0.0002132700000000, 0.0001170100000000 ] - [ 0.0010756600000000, -0.0050831700000000, 0.0024717800000000 ] - [ 0.0001230900000000, 0.0000759600000000, -0.0000379800000000 ] - [ 0.0172557000000000, -0.0207807700000000, 0.0171358300000000 ] - [ 0.0002207000000000, 0.0000820300000000, -0.0001404300000000 ] - [ -0.0006031500000000, 0.0089898100000000, 0.0031502200000000 ] - [ 0.0003896700000000, -0.0000714400000000, -0.0001217600000000 ] - [ 0.0006468700000000, 0.0012136300000000, -0.0020486100000000 ] - [ 0.0003061400000000, -0.0000526300000000, 0.0000901500000000 ] - [ -0.0008917000000000, 0.0020498500000000, -0.0013192500000000 ] - [ 0.0001311400000000, -0.0001712800000000, -0.0002204700000000 ] - [ -0.0200655600000000, -0.0251964300000000, 0.0168664500000000 ] - [ 0.0005224700000000, -0.0002044400000000, 0.0001712100000000 ] - [ -0.0024542300000000, 0.0003536300000000, -0.0009707300000000 ] - [ 0.0001700200000000, -0.0000974900000000, -0.0003006800000000 ] - [ 0.0012225000000000, 0.0018713000000000, -0.0005829000000000 ] - [ 0.0002730300000000, 0.0001629900000000, 0.0001408200000000 ] - [ -0.0022091600000000, 0.0015388200000000, -0.0006880200000000 ] - [ -0.0000510000000000, 0.0003176900000000, 0.0002731300000000 ] - [ -0.0000093100000000, 0.0013950900000000, -0.0008649500000000 ] - [ 0.0000668900000000, -0.0000192700000000, 0.0000410400000000 ] - [ 0.0006534100000000, 0.0008660300000000, -0.0023957400000000 ] - [ 0.0021015400000000, -0.0018514900000000, 0.0000137500000000 ] - [ -0.0008609900000000, -0.0039322400000000, 0.0006071300000000 ] - [ 0.0005258100000000, 0.0003627300000000, 0.0003429900000000 ] - [ -0.0005001300000000, 0.0012336100000000, -0.0008804800000000 ] - [ -0.0020632700000000, -0.0002849200000000, -0.0004920800000000 ] - [ 0.0021328100000000, -0.0005382800000000, 0.0017652700000000 ] - [ 0.0006941000000000, 0.0005183100000000, 0.0003285800000000 ] - [ -0.0008925300000000, 0.0002876000000000, -0.0005360100000000 ] - [ -0.0012350500000000, -0.0027471900000000, -0.0015646500000000 ] - [ 0.0024424800000000, -0.0006561200000000, 0.0005167500000000 ] - [ 0.0002095200000000, 0.0009867600000000, -0.0000552500000000 ] - [ 0.0005851900000000, 0.0005974000000000, -0.0003123200000000 ] - [ 0.0004900500000000, 0.0014922700000000, 0.0003119400000000 ] - [ -0.0000551900000000, -0.0002468900000000, -0.0001097300000000 ] - [ 0.0025677800000000, -0.0032802100000000, -0.0016553900000000 ] - [ 0.0000218300000000, -0.0006418200000000, 0.0002867300000000 ] - [ -0.0013689300000000, -0.0009140000000000, 0.0021196900000000 ] - [ 0.0004084200000000, -0.0001703700000000, 0.0003998400000000 ] - [ 0.0020287800000000, 0.0002793500000000, 0.0016393900000000 ] - [ 0.0000239300000000, -0.0002563500000000, -0.0002289900000000 ] - [ -0.0019372600000000, 0.0010781300000000, 0.0000629500000000 ] - [ 0.0002854800000000, 0.0005511100000000, 0.0000485300000000 ]- atom: 11 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ -0.0000180600000000, 0.0002478200000000, 0.0000700200000000 ] - [ -0.0012349000000000, 0.0018939600000000, 0.0008275600000000 ] - [ -0.0001391200000000, -0.0000609600000000, 0.0000224600000000 ] - [ 0.0020241800000000, 0.0003522200000000, -0.0008418300000000 ] - [ -0.0004920700000000, 0.0004501100000000, 0.0004133900000000 ] - [ 0.0000269100000000, -0.0000022400000000, -0.0000736400000000 ] - [ 0.0017612800000000, -0.0013984900000000, 0.0009597000000000 ] - [ 0.0000013200000000, 0.0000600100000000, 0.0000789800000000 ] - [ -0.0036674800000000, -0.0027089000000000, 0.0021504000000000 ] - [ 0.0003406500000000, 0.0001906500000000, -0.0001565300000000 ] - [ 0.0011703200000000, -0.0001623700000000, -0.1085506400000000 ] - [ -0.0002133900000000, -0.0000764400000000, -0.0001101800000000 ] - [ 0.0000752300000000, -0.0000275800000000, 0.0000069900000000 ] - [ -0.0000844200000000, 0.0002530100000000, 0.0015611800000000 ] - [ -0.0005636900000000, 0.0002146800000000, 0.0002502500000000 ] - [ 0.0041573300000000, 0.0031256400000000, 0.0012368200000000 ] - [ -0.0003829600000000, 0.0006581700000000, -0.0008896200000000 ] - [ 0.0003805400000000, -0.0003901900000000, -0.0008069300000000 ] - [ -0.0001665900000000, -0.0005193500000000, 0.0008976000000000 ] - [ 0.0004067200000000, 0.0005071900000000, 0.0008217500000000 ] - [ -0.0001646800000000, 0.0078004600000000, -0.0049578100000000 ] - [ 0.0000874000000000, -0.0000839000000000, -0.0001166300000000 ] - [ -0.0055471000000000, 0.0022673400000000, 0.0164203600000000 ] - [ -0.0000960700000000, -0.0001260300000000, 0.0000500900000000 ] - [ 0.0001314700000000, 0.0037474500000000, 0.0227762200000000 ] - [ -0.0004609800000000, 0.0000208000000000, 0.0003975500000000 ] - [ 0.0001608100000000, -0.0000858400000000, -0.0000571200000000 ] - [ 0.0012682700000000, -0.0110071600000000, -0.0020420300000000 ] - [ -0.0001721000000000, -0.0000424800000000, -0.0001107200000000 ] - [ 0.0021854100000000, -0.0121165800000000, -0.0055441900000000 ] - [ -0.0003817400000000, 0.0000104600000000, 0.0002249800000000 ] - [ 0.0038958200000000, -0.0065193000000000, 0.0177915900000000 ] - [ 0.0005613300000000, -0.0012879400000000, -0.0010295600000000 ] - [ -0.0111549200000000, 0.0000324300000000, -0.0004211800000000 ] - [ 0.0002784300000000, 0.0002147400000000, 0.0001773500000000 ] - [ -0.0003210900000000, -0.0018259100000000, 0.0022421500000000 ] - [ -0.0001678200000000, 0.0001271900000000, 0.0004076100000000 ] - [ 0.0022053900000000, -0.0014453000000000, 0.0026008600000000 ] - [ -0.0120290200000000, -0.0010409100000000, -0.0040316200000000 ] - [ 0.0003495300000000, -0.0001986500000000, -0.0011208900000000 ] - [ 0.0119200300000000, 0.0004805400000000, -0.0047235100000000 ] - [ -0.0019243900000000, 0.0008424400000000, 0.0000378400000000 ] - [ 0.0009989600000000, 0.0012901000000000, 0.0015032400000000 ] - [ 0.0002588200000000, -0.0000109800000000, 0.0007949200000000 ] - [ -0.0002211300000000, -0.0016477900000000, -0.0012126400000000 ] - [ 0.0000213600000000, -0.0001985900000000, -0.0000741100000000 ] - [ -0.0164567500000000, 0.0166839500000000, 0.0219643400000000 ] - [ 0.0000863000000000, 0.0000949500000000, 0.0001032800000000 ] - [ 0.0178054200000000, 0.0178649500000000, 0.0229682500000000 ] - [ 0.0004769000000000, -0.0001048700000000, -0.0002824200000000 ] - [ -0.0005395600000000, 0.0027047000000000, -0.0086833500000000 ] - [ 0.0000010800000000, 0.0000315100000000, -0.0000627100000000 ] - [ 0.0003926600000000, -0.0010413200000000, -0.0014272400000000 ] - [ 0.0000491300000000, 0.0002225700000000, 0.0000056700000000 ] - [ 0.0011251200000000, 0.0006719400000000, -0.0000700900000000 ] - [ 0.0000771700000000, 0.0000114500000000, -0.0000134500000000 ] - [ 0.0009335100000000, 0.0007656700000000, -0.0073237900000000 ] - [ 0.0001034300000000, 0.0000374700000000, -0.0000219000000000 ] - [ -0.0019572100000000, 0.0025444700000000, 0.0047752100000000 ] - [ 0.0000674300000000, 0.0000567300000000, -0.0000003400000000 ] - [ 0.0001134600000000, 0.0000000600000000, -0.0001342600000000 ] - [ 0.0031103500000000, -0.0005079100000000, -0.0092445900000000 ] - [ 0.0000711400000000, 0.0000107400000000, 0.0000063300000000 ] - [ -0.0010591800000000, 0.0007673700000000, 0.0022989400000000 ] - [ 0.0001152300000000, 0.0000349800000000, -0.0000257400000000 ] - [ 0.0000436300000000, 0.0011387400000000, -0.0066095900000000 ] - [ 0.0000349300000000, 0.0001696300000000, 0.0000381100000000 ] - [ 0.0155268100000000, -0.0149387700000000, 0.0214157000000000 ] - [ 0.0000301200000000, -0.0000458900000000, 0.0000411500000000 ] - [ 0.0001339700000000, 0.0018163200000000, 0.0051673600000000 ] - [ 0.0000632700000000, -0.0001275300000000, 0.0000094700000000 ] - [ 0.0001647200000000, 0.0004750400000000, -0.0010850200000000 ] - [ 0.0000428000000000, 0.0000091200000000, 0.0000037600000000 ] - [ -0.0008604600000000, 0.0012961800000000, -0.0017264100000000 ] - [ -0.0001738200000000, 0.0000782100000000, 0.0002295200000000 ] - [ -0.0167502100000000, -0.0152922900000000, 0.0195230500000000 ] - [ 0.0002437100000000, 0.0001509400000000, -0.0000988300000000 ] - [ -0.0018913800000000, 0.0006531300000000, -0.0011920700000000 ] - [ 0.0000532200000000, -0.0000429500000000, 0.0001282700000000 ] - [ 0.0009207000000000, 0.0020347900000000, -0.0005986400000000 ] - [ 0.0001928600000000, -0.0001595800000000, 0.0000214300000000 ] - [ -0.0024432200000000, 0.0008904700000000, -0.0006726200000000 ] - [ 0.0000710800000000, -0.0002328600000000, -0.0003779700000000 ] - [ -0.0005834600000000, 0.0005844900000000, -0.0013471400000000 ] - [ 0.0000440200000000, 0.0000375100000000, -0.0001282000000000 ] - [ 0.0003943100000000, 0.0010230700000000, -0.0020084100000000 ] - [ -0.0022336000000000, 0.0009745500000000, 0.0003380100000000 ] - [ 0.0025437300000000, -0.0019507200000000, 0.0007557000000000 ] - [ -0.0004337900000000, -0.0002078900000000, -0.0004226700000000 ] - [ -0.0002960800000000, 0.0005084000000000, -0.0011995300000000 ] - [ 0.0027845700000000, 0.0000946300000000, 0.0013067100000000 ] - [ -0.0012405800000000, -0.0003090000000000, 0.0025818500000000 ] - [ 0.0003339800000000, 0.0000463500000000, -0.0010431400000000 ] - [ -0.0010148400000000, 0.0001837700000000, -0.0006389700000000 ] - [ -0.0010101600000000, 0.0016171500000000, 0.0028455700000000 ] - [ 0.0016893900000000, -0.0000551700000000, 0.0009640800000000 ] - [ -0.0002222600000000, -0.0006593900000000, -0.0004305300000000 ] - [ 0.0002285300000000, 0.0001960800000000, -0.0003488900000000 ] - [ -0.0007195900000000, -0.0017784000000000, -0.0001218700000000 ] - [ 0.0000294100000000, -0.0005030100000000, -0.0002077900000000 ] - [ 0.0020686200000000, 0.0017155800000000, 0.0040516400000000 ] - [ -0.0000135300000000, -0.0001798600000000, 0.0006724200000000 ] - [ 0.0016611000000000, 0.0001101900000000, -0.0014298600000000 ] - [ -0.0000085600000000, -0.0000929500000000, 0.0001170700000000 ] - [ -0.0012711600000000, -0.0002250700000000, -0.0015112400000000 ] - [ 0.0000686800000000, -0.0002888600000000, -0.0003863100000000 ] - [ 0.0023890700000000, -0.0016187800000000, 0.0006166300000000 ] - [ -0.0001699500000000, 0.0002516900000000, 0.0000755800000000 ]- atom: 11 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ -0.0002590000000000, 0.0000773200000000, -0.0000742900000000 ] - [ 0.0009716200000000, -0.0015830300000000, -0.0008248000000000 ] - [ 0.0003362800000000, 0.0003196600000000, 0.0002017900000000 ] - [ -0.0018355300000000, -0.0000942300000000, 0.0010578500000000 ] - [ 0.0002928800000000, -0.0001911200000000, -0.0006443000000000 ] - [ -0.0002228900000000, 0.0002601900000000, -0.0001553800000000 ] - [ -0.0014999500000000, 0.0017403900000000, -0.0009513800000000 ] - [ 0.0002755700000000, 0.0002643400000000, -0.0000747100000000 ] - [ 0.0038172600000000, 0.0027019000000000, -0.0021693300000000 ] - [ -0.0001635800000000, -0.0001684700000000, 0.0001494700000000 ] - [ -0.0006782900000000, 0.0005729500000000, 0.1088041400000000 ] - [ 0.0000300600000000, 0.0000245600000000, 0.0002057800000000 ] - [ 0.0001056600000000, -0.0000221700000000, -0.0001066800000000 ] - [ 0.0002720900000000, -0.0003061300000000, -0.0016585600000000 ] - [ 0.0003860400000000, -0.0001912400000000, -0.0002501000000000 ] - [ -0.0043045000000000, -0.0030686100000000, -0.0012519000000000 ] - [ 0.0003589100000000, -0.0006278300000000, 0.0009920500000000 ] - [ -0.0004101300000000, 0.0004226100000000, 0.0009057100000000 ] - [ 0.0001851000000000, 0.0005509600000000, -0.0009999300000000 ] - [ -0.0003737700000000, -0.0004718200000000, -0.0009197200000000 ] - [ 0.0004282200000000, -0.0077607100000000, 0.0048940400000000 ] - [ 0.0001763100000000, 0.0001683300000000, 0.0000790500000000 ] - [ 0.0054638700000000, -0.0023393200000000, -0.0165106500000000 ] - [ 0.0001250100000000, -0.0000552100000000, -0.0001353800000000 ] - [ -0.0007813600000000, -0.0040099600000000, -0.0228784400000000 ] - [ -0.0000316600000000, -0.0001611000000000, -0.0004755100000000 ] - [ 0.0003274000000000, -0.0000562600000000, 0.0001331200000000 ] - [ -0.0007566000000000, 0.0108307500000000, 0.0021475800000000 ] - [ 0.0001415900000000, -0.0001418500000000, 0.0001956500000000 ] - [ -0.0022270200000000, 0.0119948100000000, 0.0056074800000000 ] - [ 0.0001141200000000, 0.0000785400000000, -0.0001879700000000 ] - [ -0.0040519300000000, 0.0064662700000000, -0.0177631700000000 ] - [ -0.0005309900000000, 0.0011711200000000, 0.0012398400000000 ] - [ 0.0111360800000000, -0.0001290000000000, 0.0006601400000000 ] - [ -0.0001817100000000, -0.0002271300000000, -0.0004409900000000 ] - [ 0.0004255800000000, 0.0018160900000000, -0.0024885000000000 ] - [ 0.0004434000000000, -0.0000708500000000, -0.0005796300000000 ] - [ -0.0019166200000000, 0.0014882600000000, -0.0027794600000000 ] - [ 0.0118035100000000, 0.0011041500000000, 0.0041704600000000 ] - [ -0.0006314600000000, 0.0002531000000000, 0.0012801400000000 ] - [ -0.0119932300000000, -0.0004826300000000, 0.0049984200000000 ] - [ 0.0018134200000000, -0.0008474400000000, 0.0002273200000000 ] - [ -0.0010394200000000, -0.0014105200000000, -0.0017033500000000 ] - [ -0.0002866300000000, -0.0001076100000000, -0.0009980000000000 ] - [ 0.0003765600000000, 0.0015159300000000, 0.0013005700000000 ] - [ 0.0001204900000000, 0.0000527100000000, 0.0001662500000000 ] - [ 0.0157306700000000, -0.0158427300000000, -0.0215649600000000 ] - [ 0.0000132700000000, -0.0000368700000000, -0.0001742300000000 ] - [ -0.0189862800000000, -0.0189628200000000, -0.0238094100000000 ] - [ -0.0006246800000000, -0.0001234100000000, 0.0002334500000000 ] - [ 0.0004514700000000, -0.0027396400000000, 0.0088772100000000 ] - [ -0.0001136600000000, -0.0000670000000000, 0.0002019400000000 ] - [ -0.0002761900000000, 0.0013251000000000, 0.0014622200000000 ] - [ 0.0000568000000000, 0.0000817800000000, 0.0000029300000000 ] - [ -0.0010030800000000, -0.0006948700000000, -0.0000285400000000 ] - [ 0.0000527900000000, -0.0000397300000000, -0.0000992100000000 ] - [ -0.0007920500000000, -0.0006175100000000, 0.0074140000000000 ] - [ 0.0000298700000000, 0.0000968200000000, 0.0001704300000000 ] - [ 0.0019454500000000, -0.0025212400000000, -0.0049225400000000 ] - [ -0.0000624200000000, -0.0000306100000000, -0.0001357900000000 ] - [ -0.0001132800000000, 0.0000262000000000, 0.0002648700000000 ] - [ -0.0031011800000000, 0.0005590300000000, 0.0094299400000000 ] - [ -0.0002036200000000, 0.0001239700000000, -0.0001586000000000 ] - [ 0.0009303000000000, -0.0006400100000000, -0.0024391100000000 ] - [ -0.0002452600000000, -0.0000658300000000, 0.0001369400000000 ] - [ -0.0001910800000000, -0.0011614400000000, 0.0066374700000000 ] - [ -0.0001406100000000, 0.0001387700000000, -0.0000480100000000 ] - [ -0.0149548000000000, 0.0143865300000000, -0.0209291600000000 ] - [ 0.0000831300000000, 0.0000083100000000, -0.0001874000000000 ] - [ -0.0000158500000000, -0.0018513400000000, -0.0053226100000000 ] - [ 0.0000887600000000, -0.0001011700000000, 0.0000370100000000 ] - [ -0.0000181900000000, -0.0007053500000000, 0.0011109800000000 ] - [ -0.0001400300000000, 0.0000488700000000, 0.0000665900000000 ] - [ 0.0007522800000000, -0.0012256400000000, 0.0018233400000000 ] - [ 0.0000275300000000, -0.0002206400000000, -0.0003250700000000 ] - [ 0.0172140800000000, 0.0157138100000000, -0.0197550000000000 ] - [ -0.0001888400000000, -0.0001170700000000, 0.0002899600000000 ] - [ 0.0019230400000000, -0.0006032400000000, 0.0013929900000000 ] - [ -0.0000240000000000, -0.0001431000000000, -0.0003257400000000 ] - [ -0.0008763800000000, -0.0022073600000000, 0.0003959100000000 ] - [ -0.0003356500000000, 0.0000783300000000, 0.0000782900000000 ] - [ 0.0023088900000000, -0.0009736600000000, 0.0007819200000000 ] - [ -0.0002584900000000, 0.0002073400000000, 0.0004420500000000 ] - [ 0.0003907800000000, -0.0006123000000000, 0.0014066500000000 ] - [ 0.0000289400000000, 0.0000034900000000, 0.0001574300000000 ] - [ -0.0003260100000000, -0.0009870800000000, 0.0020234200000000 ] - [ 0.0021477600000000, -0.0012335300000000, -0.0002196400000000 ] - [ -0.0026243600000000, 0.0016818500000000, -0.0006428400000000 ] - [ 0.0002238400000000, 0.0001707900000000, 0.0004684600000000 ] - [ 0.0000797800000000, -0.0005426100000000, 0.0012414200000000 ] - [ -0.0026659600000000, 0.0000550200000000, -0.0011733600000000 ] - [ 0.0013645100000000, 0.0004575500000000, -0.0024398900000000 ] - [ -0.0004556700000000, 0.0001034100000000, 0.0009114300000000 ] - [ 0.0008826400000000, -0.0000344900000000, 0.0005053400000000 ] - [ 0.0012272900000000, -0.0016565600000000, -0.0029013700000000 ] - [ -0.0014666500000000, 0.0000187600000000, -0.0010089600000000 ] - [ 0.0003132800000000, 0.0004074900000000, 0.0003046700000000 ] - [ -0.0001440000000000, -0.0004483900000000, 0.0002223500000000 ] - [ 0.0006499900000000, 0.0018118800000000, 0.0000787400000000 ] - [ -0.0000982300000000, 0.0005396600000000, 0.0001684000000000 ] - [ -0.0018791300000000, -0.0017466000000000, -0.0041015100000000 ] - [ 0.0002029400000000, 0.0001533900000000, -0.0007361000000000 ] - [ -0.0015001200000000, -0.0001998800000000, 0.0013616100000000 ] - [ 0.0001522400000000, 0.0000104300000000, -0.0002164700000000 ] - [ 0.0012425700000000, 0.0000463400000000, 0.0016787400000000 ] - [ -0.0000991900000000, 0.0001011900000000, 0.0005745300000000 ] - [ -0.0024574000000000, 0.0016632800000000, -0.0008135400000000 ] - [ 0.0001166600000000, -0.0002163700000000, -0.0002693300000000 ]- atom: 17 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ -0.0001288700000000, -0.0020213300000000, 0.0018330500000000 ] - [ 0.0006043000000000, 0.0003352000000000, -0.0000983100000000 ] - [ -0.0017320400000000, -0.0020822200000000, 0.0004127200000000 ] - [ 0.0008661200000000, 0.0004629800000000, -0.0001132300000000 ] - [ -0.0017887300000000, 0.0006572000000000, 0.0019187900000000 ] - [ 0.0006925400000000, -0.0001591100000000, -0.0004757300000000 ] - [ 0.0002626800000000, -0.0014080900000000, -0.0018498300000000 ] - [ 0.0010861600000000, 0.0003033800000000, 0.0002819200000000 ] - [ 0.0001644500000000, 0.0025830300000000, 0.0040449900000000 ] - [ 0.0019676700000000, -0.0002581900000000, -0.0005630200000000 ] - [ 0.0008389900000000, -0.0001312100000000, -0.0003127300000000 ] - [ 0.0008304300000000, -0.0002646900000000, 0.0004504500000000 ] - [ 0.0013002400000000, -0.0003011200000000, -0.0002186600000000 ] - [ 0.0007094800000000, 0.0003045100000000, 0.0003427900000000 ] - [ 0.0001424900000000, 0.0043052600000000, -0.0027075700000000 ] - [ 0.0016753200000000, -0.0004691000000000, 0.0000993200000000 ] - [ -0.1109111500000000, -0.0073178200000000, 0.0019371300000000 ] - [ 0.0020392900000000, -0.0002939900000000, 0.0002272800000000 ] - [ -0.0033607600000000, -0.0000462100000000, 0.0000944500000000 ] - [ 0.0015299900000000, 0.0001969600000000, -0.0000539000000000 ] - [ 0.0175513300000000, -0.0039727500000000, 0.0038555400000000 ] - [ 0.0062045800000000, 0.0025565700000000, -0.0019091900000000 ] - [ 0.0006579100000000, -0.0018325600000000, 0.0013133200000000 ] - [ 0.0020788400000000, 0.0005385500000000, -0.0005153900000000 ] - [ 0.0001787600000000, -0.0003652400000000, -0.0005768300000000 ] - [ 0.0022407600000000, 0.0004460800000000, -0.0007816400000000 ] - [ 0.0110102900000000, 0.0073191100000000, 0.0048037000000000 ] - [ 0.0062768800000000, -0.0011761400000000, -0.0024900400000000 ] - [ 0.0127630500000000, -0.0063534600000000, -0.0066229800000000 ] - [ 0.0053835100000000, 0.0015374000000000, 0.0004596600000000 ] - [ 0.0006046600000000, -0.0013333800000000, -0.0022476900000000 ] - [ 0.0020596900000000, -0.0004006600000000, 0.0003564800000000 ] - [ -0.0086029600000000, 0.0115409100000000, -0.0020452300000000 ] - [ 0.0037666300000000, -0.0017020800000000, 0.0007719500000000 ] - [ -0.0086742300000000, 0.0006406800000000, 0.0096646100000000 ] - [ 0.0035969200000000, 0.0000626300000000, -0.0006538400000000 ] - [ -0.0086745200000000, -0.0012808400000000, -0.0142270100000000 ] - [ 0.0037771600000000, -0.0005288300000000, 0.0015175300000000 ] - [ -0.0089274900000000, -0.0116714800000000, 0.0000041200000000 ] - [ 0.0037343200000000, 0.0014171900000000, 0.0012940600000000 ] - [ -0.0063480700000000, 0.0107862700000000, -0.0012697100000000 ] - [ 0.0032168200000000, -0.0001286700000000, 0.0001454000000000 ] - [ -0.0058239700000000, -0.0028482600000000, -0.0123172700000000 ] - [ 0.0033974900000000, 0.0012278900000000, 0.0005807000000000 ] - [ 0.0008566200000000, 0.0000167000000000, 0.0004182600000000 ] - [ -0.0022080100000000, -0.0004417200000000, 0.0001737600000000 ] - [ -0.0001035900000000, 0.0024202700000000, -0.0005544300000000 ] - [ -0.0018521000000000, -0.0010120100000000, 0.0001516300000000 ] - [ -0.0000100100000000, -0.0004044200000000, 0.0006562300000000 ] - [ -0.0019963500000000, -0.0001387400000000, 0.0001478800000000 ] - [ -0.0000032900000000, 0.0003434000000000, -0.0002708600000000 ] - [ -0.0005895400000000, -0.0002595000000000, 0.0004131400000000 ] - [ -0.0006260800000000, 0.0012003600000000, -0.0020952300000000 ] - [ -0.0009521300000000, -0.0005671300000000, 0.0009100500000000 ] - [ -0.0055182200000000, -0.0015980200000000, -0.0013257900000000 ] - [ -0.0032844400000000, -0.0004683800000000, 0.0006864600000000 ] - [ -0.0004950100000000, 0.0003854400000000, -0.0002215900000000 ] - [ -0.0009410700000000, 0.0000999800000000, 0.0005911400000000 ] - [ -0.0058536700000000, 0.0010853000000000, 0.0021220700000000 ] - [ -0.0031110900000000, -0.0006995300000000, 0.0005222600000000 ] - [ -0.0012345300000000, 0.0002666600000000, 0.0008263400000000 ] - [ -0.0006905000000000, 0.0000595100000000, 0.0001220000000000 ] - [ -0.0051122300000000, -0.0012585800000000, 0.0006516800000000 ] - [ -0.0031897900000000, 0.0001272600000000, 0.0000154800000000 ] - [ -0.0006498900000000, 0.0002302900000000, 0.0002963600000000 ] - [ -0.0011684700000000, 0.0004097200000000, -0.0000426900000000 ] - [ -0.0006751900000000, 0.0033163300000000, 0.0012294600000000 ] - [ -0.0009878200000000, -0.0005942700000000, -0.0003381700000000 ] - [ -0.0055470600000000, -0.0003318500000000, 0.0002983400000000 ] - [ -0.0008223000000000, -0.0003358700000000, 0.0004834700000000 ] - [ 0.0007333600000000, -0.0004052000000000, -0.0025858100000000 ] - [ -0.0020554100000000, -0.0000291300000000, 0.0013525000000000 ] - [ -0.0001507800000000, 0.0008270600000000, 0.0022542800000000 ] - [ -0.0018838200000000, -0.0000559700000000, -0.0007205500000000 ] - [ 0.0015852700000000, -0.0032570900000000, -0.0001324800000000 ] - [ -0.0026895600000000, 0.0012995500000000, 0.0002077100000000 ] - [ 0.0013296700000000, 0.0020851400000000, 0.0012686900000000 ] - [ -0.0017766900000000, 0.0001232700000000, -0.0000470600000000 ] - [ 0.0245952100000000, 0.0175612800000000, 0.0170233000000000 ] - [ -0.0021350500000000, 0.0004124300000000, 0.0000992500000000 ] - [ 0.0239043700000000, -0.0159833900000000, -0.0148107600000000 ] - [ -0.0025245300000000, 0.0000362000000000, -0.0007277100000000 ] - [ 0.0019457300000000, -0.0011480900000000, 0.0004172900000000 ] - [ -0.0011113600000000, 0.0001291700000000, -0.0000806800000000 ] - [ 0.0018911200000000, -0.0030254900000000, -0.0011682300000000 ] - [ -0.0006966600000000, 0.0003817700000000, 0.0000089600000000 ] - [ 0.0064637100000000, -0.0024195200000000, -0.0000697000000000 ] - [ -0.0019409200000000, 0.0004601600000000, -0.0000223900000000 ] - [ 0.0049285900000000, 0.0010309300000000, 0.0017793000000000 ] - [ -0.0017106900000000, -0.0001854100000000, -0.0004090400000000 ] - [ 0.0075004800000000, -0.0016674900000000, 0.0017041800000000 ] - [ -0.0024165200000000, 0.0001205900000000, -0.0003343500000000 ] - [ 0.0071715700000000, -0.0002686600000000, 0.0006859800000000 ] - [ -0.0024603800000000, 0.0000313000000000, -0.0002942900000000 ] - [ 0.0049667700000000, -0.0001438500000000, 0.0019047900000000 ] - [ -0.0016142400000000, 0.0000184000000000, -0.0006149400000000 ] - [ 0.0063798300000000, 0.0024709600000000, 0.0022921400000000 ] - [ -0.0019415300000000, -0.0007045700000000, -0.0001607600000000 ] - [ 0.0224941700000000, 0.0174912100000000, -0.0150101900000000 ] - [ -0.0008786600000000, -0.0001543400000000, -0.0002374900000000 ] - [ 0.0018337200000000, -0.0003995400000000, -0.0005102000000000 ] - [ -0.0009278900000000, -0.0002090500000000, -0.0002693200000000 ] - [ 0.0015809500000000, 0.0011150400000000, -0.0021423300000000 ] - [ -0.0016107900000000, -0.0002616200000000, -0.0001748400000000 ] - [ 0.0011684000000000, -0.0010381200000000, 0.0025215200000000 ] - [ -0.0014021400000000, -0.0003549800000000, 0.0000682500000000 ] - [ 0.0232570900000000, -0.0138088600000000, 0.0167033000000000 ] - [ -0.0032735400000000, -0.0007996400000000, 0.0000043000000000 ]- atom: 17 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ -0.0001327800000000, 0.0023522900000000, -0.0018554200000000 ] - [ -0.0008795300000000, -0.0000155100000000, 0.0000885500000000 ] - [ 0.0019379000000000, 0.0023336300000000, -0.0001877700000000 ] - [ -0.0006700200000000, -0.0002043600000000, 0.0003394400000000 ] - [ 0.0015881800000000, -0.0003984700000000, -0.0021468600000000 ] - [ -0.0008859600000000, 0.0004173900000000, 0.0002506200000000 ] - [ 0.0000079900000000, 0.0017123200000000, 0.0018461600000000 ] - [ -0.0008091900000000, 0.0000142200000000, -0.0002726600000000 ] - [ 0.0000048600000000, -0.0025328700000000, -0.0040231700000000 ] - [ -0.0017854900000000, 0.0002824500000000, 0.0005639400000000 ] - [ -0.0010293100000000, 0.0000764400000000, 0.0004126500000000 ] - [ -0.0010062600000000, 0.0002140000000000, -0.0003535500000000 ] - [ -0.0011095500000000, 0.0002517400000000, 0.0001191100000000 ] - [ -0.0005328400000000, -0.0003542300000000, -0.0004403100000000 ] - [ -0.0003057000000000, -0.0043077800000000, 0.0027368900000000 ] - [ -0.0018584100000000, 0.0004895900000000, -0.0000960600000000 ] - [ 0.1106873900000000, 0.0077886100000000, -0.0022328900000000 ] - [ -0.0020693900000000, 0.0003279000000000, -0.0001295700000000 ] - [ 0.0033922100000000, 0.0000793400000000, -0.0001881300000000 ] - [ -0.0015020000000000, -0.0001654400000000, -0.0000433600000000 ] - [ -0.0172333100000000, 0.0039188300000000, -0.0037668900000000 ] - [ -0.0059661300000000, -0.0024877800000000, 0.0018892600000000 ] - [ -0.0006451400000000, 0.0016399700000000, -0.0014203200000000 ] - [ -0.0020390100000000, -0.0007370600000000, 0.0004142800000000 ] - [ -0.0007144200000000, 0.0002133500000000, 0.0005023700000000 ] - [ -0.0027418100000000, -0.0005866700000000, 0.0006910400000000 ] - [ -0.0105217700000000, -0.0075782700000000, -0.0048283000000000 ] - [ -0.0057364700000000, 0.0010288600000000, 0.0025665900000000 ] - [ -0.0128198800000000, 0.0062667400000000, 0.0068776100000000 ] - [ -0.0053870700000000, -0.0017211100000000, -0.0003497900000000 ] - [ -0.0008463200000000, 0.0014052300000000, 0.0022748200000000 ] - [ -0.0023419700000000, 0.0004893900000000, -0.0003189700000000 ] - [ 0.0086743600000000, -0.0115810000000000, 0.0022497300000000 ] - [ -0.0037249100000000, 0.0016083800000000, -0.0005588500000000 ] - [ 0.0088116400000000, -0.0006527600000000, -0.0098626800000000 ] - [ -0.0034938000000000, -0.0000709800000000, 0.0003925800000000 ] - [ 0.0089875300000000, 0.0013216900000000, 0.0140006200000000 ] - [ -0.0034979900000000, 0.0005882800000000, -0.0016817700000000 ] - [ 0.0086352800000000, 0.0117602100000000, 0.0001552500000000 ] - [ -0.0040112700000000, -0.0013667700000000, -0.0011236300000000 ] - [ 0.0062102500000000, -0.0108480900000000, 0.0015189100000000 ] - [ -0.0033151300000000, 0.0001229600000000, 0.0001125400000000 ] - [ 0.0057469100000000, 0.0027777400000000, 0.0121484000000000 ] - [ -0.0034320500000000, -0.0013191000000000, -0.0007948600000000 ] - [ -0.0006707100000000, -0.0001763700000000, -0.0003314700000000 ] - [ 0.0023681500000000, 0.0002804400000000, -0.0000839700000000 ] - [ 0.0002515500000000, -0.0023787200000000, 0.0004656800000000 ] - [ 0.0019736600000000, 0.0010615500000000, -0.0002367200000000 ] - [ -0.0001041700000000, 0.0001835900000000, -0.0006889700000000 ] - [ 0.0018605500000000, -0.0000849600000000, -0.0001761200000000 ] - [ -0.0001101700000000, -0.0003614500000000, 0.0004302700000000 ] - [ 0.0004694700000000, 0.0002393100000000, -0.0002505800000000 ] - [ 0.0007409800000000, -0.0008717800000000, 0.0021097400000000 ] - [ 0.0010585900000000, 0.0008925600000000, -0.0009004400000000 ] - [ 0.0055882600000000, 0.0015937200000000, 0.0012003700000000 ] - [ 0.0034113100000000, 0.0004481000000000, -0.0007960800000000 ] - [ 0.0006346200000000, -0.0002570800000000, 0.0003617600000000 ] - [ 0.0010648800000000, 0.0000302500000000, -0.0004468500000000 ] - [ 0.0057883800000000, -0.0010483500000000, -0.0022767200000000 ] - [ 0.0030944900000000, 0.0007202900000000, -0.0006606100000000 ] - [ 0.0012456300000000, -0.0002490900000000, -0.0006761600000000 ] - [ 0.0007231900000000, -0.0000418500000000, 0.0000177800000000 ] - [ 0.0050401900000000, 0.0013934500000000, -0.0008030200000000 ] - [ 0.0030667700000000, 0.0000039700000000, -0.0001630700000000 ] - [ 0.0005185700000000, -0.0002442800000000, -0.0001907900000000 ] - [ 0.0010541200000000, -0.0004294200000000, 0.0001476000000000 ] - [ 0.0005620700000000, -0.0030036200000000, -0.0012543500000000 ] - [ 0.0008854800000000, 0.0009113200000000, 0.0003188000000000 ] - [ 0.0057542600000000, 0.0003003000000000, -0.0004808700000000 ] - [ 0.0009431800000000, 0.0003105200000000, -0.0006483200000000 ] - [ -0.0006291400000000, 0.0001938800000000, 0.0026334500000000 ] - [ 0.0021960600000000, -0.0001932800000000, -0.0013159800000000 ] - [ 0.0000021700000000, -0.0007829200000000, -0.0021724000000000 ] - [ 0.0017678100000000, 0.0000961100000000, 0.0007993000000000 ] - [ -0.0017862800000000, 0.0031095000000000, 0.0000561600000000 ] - [ 0.0025221700000000, -0.0014518800000000, -0.0002952100000000 ] - [ -0.0012813300000000, -0.0020295900000000, -0.0010741700000000 ] - [ 0.0018472500000000, -0.0000846100000000, 0.0002396600000000 ] - [ -0.0249802900000000, -0.0185505600000000, -0.0180075600000000 ] - [ 0.0021731100000000, -0.0005855200000000, -0.0002799700000000 ] - [ -0.0245522500000000, 0.0166162500000000, 0.0157794600000000 ] - [ 0.0023895600000000, -0.0001161900000000, 0.0008059600000000 ] - [ -0.0021445800000000, 0.0011086700000000, -0.0003787200000000 ] - [ 0.0009266900000000, -0.0001621000000000, 0.0001311800000000 ] - [ -0.0018075100000000, 0.0030341800000000, 0.0011776800000000 ] - [ 0.0007776500000000, -0.0003556100000000, 0.0000136600000000 ] - [ -0.0065715300000000, 0.0021196600000000, 0.0001924200000000 ] - [ 0.0018408500000000, -0.0007458800000000, 0.0001487900000000 ] - [ -0.0051544500000000, -0.0010489300000000, -0.0017066000000000 ] - [ 0.0014917900000000, 0.0001594900000000, 0.0004734500000000 ] - [ -0.0074094000000000, 0.0018109000000000, -0.0015567900000000 ] - [ 0.0025262200000000, 0.0000259000000000, 0.0004743800000000 ] - [ -0.0072691800000000, 0.0004169700000000, -0.0008285200000000 ] - [ 0.0023517600000000, 0.0001132200000000, 0.0001562400000000 ] - [ -0.0047362300000000, 0.0001344900000000, -0.0019711300000000 ] - [ 0.0018394600000000, -0.0000411100000000, 0.0005494900000000 ] - [ -0.0062664800000000, -0.0027651200000000, -0.0024159100000000 ] - [ 0.0020431900000000, 0.0004237700000000, 0.0000359300000000 ] - [ -0.0223380800000000, -0.0167893200000000, 0.0143354900000000 ] - [ 0.0008028500000000, 0.0001726500000000, 0.0002125000000000 ] - [ -0.0016314600000000, 0.0003652800000000, 0.0004765800000000 ] - [ 0.0011170300000000, 0.0001742000000000, 0.0002225600000000 ] - [ -0.0014327800000000, -0.0011940300000000, 0.0020712800000000 ] - [ 0.0017469700000000, 0.0001835300000000, 0.0000936600000000 ] - [ -0.0011999600000000, 0.0008735700000000, -0.0023600100000000 ] - [ 0.0013620100000000, 0.0001754700000000, 0.0001128300000000 ] - [ -0.0226037700000000, 0.0129646500000000, -0.0160930400000000 ] - [ 0.0032171900000000, 0.0008485900000000, -0.0001985100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019570300000000, 0.0013944600000000, -0.0017147100000000 ] - [ -0.0000708200000000, 0.0000490900000000, 0.0001052300000000 ] - [ -0.0009180500000000, 0.0043384600000000, 0.0011560900000000 ] - [ 0.0000178600000000, 0.0001058000000000, 0.0001148000000000 ] - [ 0.0000248600000000, -0.0008920900000000, -0.0019706100000000 ] - [ -0.0002034500000000, 0.0001357400000000, -0.0000862700000000 ] - [ -0.0010759400000000, 0.0011718800000000, 0.0017626500000000 ] - [ 0.0001395700000000, 0.0002494800000000, 0.0000881500000000 ] - [ 0.0040142100000000, 0.0017021700000000, 0.0021829900000000 ] - [ -0.0004292600000000, 0.0001072400000000, 0.0000833600000000 ] - [ 0.0001014600000000, 0.0008995600000000, 0.0006934700000000 ] - [ -0.0000397800000000, 0.0008521400000000, -0.0003559000000000 ] - [ -0.0001209300000000, -0.0008655700000000, 0.0004847600000000 ] - [ 0.0005875300000000, -0.0010087300000000, -0.0005349300000000 ] - [ 0.0037275700000000, 0.0012753900000000, -0.0035485900000000 ] - [ -0.0005278600000000, 0.0002902700000000, -0.0002084700000000 ] - [ -0.0077346500000000, -0.1156928000000000, -0.0010142400000000 ] - [ -0.0003248200000000, -0.0000990200000000, 0.0000160800000000 ] - [ 0.0000761700000000, 0.0017719500000000, -0.0003745500000000 ] - [ -0.0001670100000000, 0.0000905900000000, -0.0000359300000000 ] - [ -0.0123370700000000, -0.0037613300000000, -0.0006248300000000 ] - [ 0.0004600200000000, -0.0014003800000000, -0.0010810000000000 ] - [ -0.0010807800000000, 0.0020993200000000, -0.0020953300000000 ] - [ -0.0003333300000000, 0.0004252800000000, -0.0001250600000000 ] - [ 0.0018901100000000, 0.0025974500000000, -0.0017592900000000 ] - [ -0.0012358800000000, 0.0001394300000000, 0.0003989300000000 ] - [ 0.0091684100000000, -0.0047944200000000, -0.0010630700000000 ] - [ -0.0018770700000000, -0.0002744800000000, 0.0012470000000000 ] - [ -0.0104424000000000, -0.0018929100000000, -0.0004426300000000 ] - [ -0.0001506800000000, -0.0012961800000000, -0.0003161000000000 ] - [ -0.0015730900000000, 0.0022687200000000, 0.0009786000000000 ] - [ 0.0002153600000000, 0.0005177000000000, -0.0009185200000000 ] - [ 0.0024549900000000, 0.0165065100000000, 0.0042996300000000 ] - [ -0.0005904200000000, 0.0004671400000000, 0.0001000700000000 ] - [ -0.0011071300000000, -0.0051782600000000, 0.0120398600000000 ] - [ -0.0005665200000000, -0.0001008600000000, 0.0001149900000000 ] - [ -0.0010048400000000, -0.0031960500000000, 0.0113425600000000 ] - [ -0.0002364800000000, -0.0001897600000000, -0.0003717600000000 ] - [ -0.0050563200000000, 0.0188959000000000, -0.0032687000000000 ] - [ -0.0006332700000000, 0.0001389400000000, -0.0001698600000000 ] - [ 0.0038381800000000, 0.0222182500000000, -0.0011578900000000 ] - [ -0.0006432000000000, 0.0001228900000000, 0.0001993100000000 ] - [ 0.0025565000000000, -0.0058606800000000, -0.0103402400000000 ] - [ -0.0006131300000000, -0.0004533700000000, -0.0001123900000000 ] - [ -0.0027784400000000, -0.0007166400000000, 0.0007305700000000 ] - [ 0.0005723000000000, 0.0001468400000000, -0.0000619100000000 ] - [ 0.0014695400000000, -0.0019814300000000, 0.0004332200000000 ] - [ 0.0002429600000000, -0.0000167200000000, 0.0001114200000000 ] - [ -0.0022205100000000, -0.0013753100000000, 0.0006144500000000 ] - [ 0.0002992700000000, -0.0002660300000000, -0.0001613000000000 ] - [ -0.0000360000000000, -0.0015944800000000, 0.0012294200000000 ] - [ -0.0000003000000000, -0.0003137100000000, -0.0000042800000000 ] - [ 0.0008820400000000, -0.0003816500000000, 0.0019119600000000 ] - [ 0.0000559400000000, 0.0001643700000000, 0.0000489400000000 ] - [ -0.0007726700000000, 0.0033577200000000, 0.0001009200000000 ] - [ 0.0021129800000000, 0.0015814400000000, -0.0002692500000000 ] - [ -0.0003452100000000, -0.0009946300000000, 0.0006335600000000 ] - [ 0.0006659200000000, -0.0002912500000000, -0.0001438400000000 ] - [ 0.0027140300000000, 0.0001924900000000, -0.0020219600000000 ] - [ -0.0018663700000000, 0.0001038500000000, 0.0009786000000000 ] - [ 0.0008318900000000, -0.0003317100000000, -0.0003984000000000 ] - [ -0.0009698300000000, -0.0001485300000000, 0.0007833200000000 ] - [ -0.0015845300000000, 0.0024973500000000, 0.0007934100000000 ] - [ 0.0022158700000000, 0.0006129300000000, -0.0000440300000000 ] - [ -0.0001085800000000, -0.0011237300000000, 0.0002773300000000 ] - [ 0.0003585700000000, -0.0007360000000000, 0.0002763800000000 ] - [ 0.0006398700000000, -0.0013983000000000, -0.0002831500000000 ] - [ -0.0000636600000000, 0.0004175900000000, 0.0001558500000000 ] - [ 0.0027447100000000, 0.0039621900000000, 0.0017616500000000 ] - [ 0.0001006800000000, 0.0006537100000000, -0.0001404400000000 ] - [ -0.0018177800000000, 0.0009003200000000, -0.0016430800000000 ] - [ 0.0004198900000000, 0.0000650600000000, -0.0005687200000000 ] - [ 0.0023493900000000, -0.0003774400000000, -0.0014469000000000 ] - [ -0.0000459700000000, 0.0002162000000000, 0.0003418600000000 ] - [ -0.0017821900000000, -0.0010685600000000, -0.0001188400000000 ] - [ 0.0003655400000000, -0.0006570500000000, -0.0001774300000000 ] - [ 0.0007031900000000, -0.0018371500000000, -0.0004466800000000 ] - [ 0.0000329200000000, 0.0000696900000000, 0.0001934900000000 ] - [ 0.0180319500000000, 0.0242064300000000, 0.0172485700000000 ] - [ 0.0006095900000000, -0.0002127700000000, -0.0002481200000000 ] - [ -0.0136102600000000, 0.0220968300000000, 0.0148643000000000 ] - [ 0.0002403200000000, 0.0001405500000000, 0.0002552600000000 ] - [ -0.0005859200000000, 0.0041837600000000, -0.0014079900000000 ] - [ 0.0000985100000000, 0.0000860600000000, 0.0000545000000000 ] - [ 0.0001996200000000, -0.0012396200000000, -0.0015660500000000 ] - [ 0.0001419900000000, -0.0001151000000000, -0.0000526200000000 ] - [ 0.0018301300000000, -0.0088808200000000, 0.0008462000000000 ] - [ 0.0002059800000000, -0.0003670700000000, 0.0000398400000000 ] - [ 0.0010153900000000, 0.0035622800000000, -0.0008892400000000 ] - [ 0.0001043700000000, 0.0001457600000000, 0.0000632800000000 ] - [ 0.0002180300000000, -0.0059821700000000, 0.0001905200000000 ] - [ 0.0004263600000000, -0.0000401000000000, 0.0001340500000000 ] - [ -0.0009636400000000, 0.0007448600000000, -0.0008273900000000 ] - [ 0.0003150200000000, 0.0001367500000000, -0.0000709400000000 ] - [ 0.0007097300000000, -0.0078368800000000, -0.0016103500000000 ] - [ 0.0003491800000000, -0.0001548000000000, 0.0000416600000000 ] - [ 0.0020161800000000, 0.0052105000000000, -0.0015881700000000 ] - [ 0.0003347200000000, 0.0000794500000000, -0.0001023700000000 ] - [ 0.0196535700000000, 0.0243529300000000, -0.0196246700000000 ] - [ 0.0000984500000000, 0.0000841700000000, -0.0000095800000000 ] - [ -0.0008212700000000, -0.0087740700000000, -0.0016891500000000 ] - [ 0.0002906300000000, -0.0001189100000000, 0.0000267300000000 ] - [ 0.0007339800000000, -0.0015661600000000, 0.0018893100000000 ] - [ 0.0003186700000000, -0.0001111500000000, 0.0000776100000000 ] - [ -0.0006990700000000, -0.0020773900000000, 0.0017754000000000 ] - [ 0.0002868800000000, -0.0000426400000000, 0.0000364000000000 ] - [ -0.0132209600000000, 0.0191652600000000, -0.0150730800000000 ] - [ 0.0000648500000000, 0.0001177200000000, 0.0000523000000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016653200000000, -0.0010834600000000, 0.0016891200000000 ] - [ -0.0002033400000000, 0.0002663700000000, -0.0001128600000000 ] - [ 0.0010824500000000, -0.0040603600000000, -0.0009003200000000 ] - [ 0.0001774200000000, 0.0001511400000000, 0.0001108000000000 ] - [ -0.0002211200000000, 0.0011562800000000, 0.0017412100000000 ] - [ 0.0000091200000000, 0.0001210100000000, -0.0001398100000000 ] - [ 0.0013649100000000, -0.0008502900000000, -0.0017658700000000 ] - [ 0.0001359400000000, 0.0000676900000000, -0.0000769500000000 ] - [ -0.0038089500000000, -0.0016915700000000, -0.0021573300000000 ] - [ 0.0006115800000000, -0.0000879300000000, -0.0000849500000000 ] - [ -0.0002751400000000, -0.0009518200000000, -0.0005944700000000 ] - [ -0.0001487800000000, -0.0009083000000000, 0.0004567000000000 ] - [ 0.0003054200000000, 0.0008147500000000, -0.0005832800000000 ] - [ -0.0004051300000000, 0.0009558600000000, 0.0004367700000000 ] - [ -0.0039411300000000, -0.0012407600000000, 0.0035799400000000 ] - [ 0.0003468300000000, -0.0002672400000000, 0.0002084000000000 ] - [ 0.0073800500000000, 0.1159149400000000, 0.0017198700000000 ] - [ 0.0002970500000000, 0.0001297000000000, 0.0000828800000000 ] - [ -0.0000489200000000, -0.0017447700000000, 0.0002785700000000 ] - [ 0.0001953600000000, -0.0000601400000000, -0.0000605100000000 ] - [ 0.0125526800000000, 0.0038597400000000, 0.0005971200000000 ] - [ -0.0001886600000000, 0.0014817600000000, 0.0010559400000000 ] - [ 0.0011216600000000, -0.0022830400000000, 0.0019920000000000 ] - [ 0.0003610200000000, -0.0006152400000000, 0.0000200300000000 ] - [ -0.0023979100000000, -0.0027527500000000, 0.0016678300000000 ] - [ 0.0007242200000000, -0.0002858500000000, -0.0004830800000000 ] - [ -0.0086186700000000, 0.0046722100000000, 0.0011366600000000 ] - [ 0.0023872400000000, 0.0001289100000000, -0.0011624300000000 ] - [ 0.0104533900000000, 0.0016760300000000, 0.0005645900000000 ] - [ 0.0001185900000000, 0.0010993300000000, 0.0004223600000000 ] - [ 0.0013002700000000, -0.0022014700000000, -0.0009528500000000 ] - [ -0.0004796000000000, -0.0004425600000000, 0.0009421000000000 ] - [ -0.0025159100000000, -0.0165793600000000, -0.0041897500000000 ] - [ 0.0006306800000000, -0.0005611300000000, 0.0001145500000000 ] - [ 0.0012024100000000, 0.0051998600000000, -0.0122478600000000 ] - [ 0.0006687100000000, 0.0000912000000000, -0.0003724000000000 ] - [ 0.0012759500000000, 0.0032213800000000, -0.0115662600000000 ] - [ 0.0005178900000000, 0.0002426800000000, 0.0002042500000000 ] - [ 0.0049204700000000, -0.0188327600000000, 0.0035443200000000 ] - [ 0.0003577800000000, -0.0000836200000000, 0.0003395500000000 ] - [ -0.0038394300000000, -0.0222384400000000, 0.0012855700000000 ] - [ 0.0005430100000000, -0.0001315800000000, 0.0000615700000000 ] - [ -0.0026050300000000, 0.0057549000000000, 0.0101610100000000 ] - [ 0.0005794400000000, 0.0003574800000000, -0.0001001400000000 ] - [ 0.0029486100000000, 0.0005605800000000, -0.0006427100000000 ] - [ -0.0004126100000000, -0.0003070900000000, 0.0001497100000000 ] - [ -0.0013582600000000, 0.0019951600000000, -0.0005231800000000 ] - [ -0.0001233200000000, 0.0000564400000000, -0.0001944400000000 ] - [ 0.0020744100000000, 0.0011574600000000, -0.0006333900000000 ] - [ -0.0004346600000000, 0.0000439200000000, 0.0001298600000000 ] - [ -0.0000865900000000, 0.0015721500000000, -0.0010677100000000 ] - [ -0.0001199400000000, 0.0002916100000000, 0.0001678500000000 ] - [ -0.0007761600000000, 0.0006930600000000, -0.0018874100000000 ] - [ 0.0000475500000000, 0.0001530700000000, -0.0000300000000000 ] - [ 0.0008983800000000, -0.0033610100000000, -0.0002037200000000 ] - [ -0.0019962600000000, -0.0016007900000000, 0.0001647500000000 ] - [ 0.0004684300000000, 0.0011239100000000, -0.0004909200000000 ] - [ -0.0005374400000000, 0.0004193500000000, 0.0002886300000000 ] - [ -0.0027326300000000, -0.0001841100000000, 0.0018706800000000 ] - [ 0.0018460600000000, -0.0000920700000000, -0.0011248300000000 ] - [ -0.0008103400000000, 0.0003499300000000, 0.0005476900000000 ] - [ 0.0009846500000000, 0.0001662400000000, -0.0006353000000000 ] - [ 0.0014597300000000, -0.0023797200000000, -0.0009359000000000 ] - [ -0.0023400900000000, -0.0004888000000000, -0.0000971700000000 ] - [ -0.0000095200000000, 0.0011073300000000, -0.0001728500000000 ] - [ -0.0004871100000000, 0.0007178200000000, -0.0001693700000000 ] - [ -0.0007394600000000, 0.0017358900000000, 0.0002634700000000 ] - [ -0.0000424300000000, -0.0000919100000000, -0.0001716900000000 ] - [ -0.0026221400000000, -0.0039750200000000, -0.0019370800000000 ] - [ 0.0000210400000000, -0.0006743000000000, -0.0000249400000000 ] - [ 0.0019446400000000, -0.0011193000000000, 0.0016691100000000 ] - [ -0.0002816600000000, -0.0002880900000000, 0.0005971100000000 ] - [ -0.0024825400000000, 0.0004246600000000, 0.0015434900000000 ] - [ -0.0000722500000000, -0.0001717000000000, -0.0002555700000000 ] - [ 0.0016302500000000, 0.0008832800000000, 0.0000420700000000 ] - [ -0.0005356800000000, 0.0004929000000000, 0.0000920100000000 ] - [ -0.0006324100000000, 0.0018957100000000, 0.0006354000000000 ] - [ 0.0000290800000000, -0.0000279700000000, 0.0000008800000000 ] - [ -0.0188594200000000, -0.0249576300000000, -0.0183547400000000 ] - [ -0.0005687200000000, 0.0000367900000000, 0.0000663700000000 ] - [ 0.0128571200000000, -0.0218926800000000, -0.0141082500000000 ] - [ -0.0003744800000000, -0.0002212500000000, -0.0001730500000000 ] - [ 0.0003958800000000, -0.0042302700000000, 0.0014477600000000 ] - [ -0.0002859100000000, -0.0001207200000000, -0.0000038100000000 ] - [ -0.0001125700000000, 0.0012278700000000, 0.0016012100000000 ] - [ -0.0000632100000000, 0.0001387200000000, 0.0000738000000000 ] - [ -0.0019358500000000, 0.0085255800000000, -0.0006908900000000 ] - [ -0.0003095700000000, 0.0000784900000000, 0.0000864400000000 ] - [ -0.0012349000000000, -0.0035812900000000, 0.0009693600000000 ] - [ -0.0003264500000000, -0.0001716400000000, 0.0000019500000000 ] - [ -0.0001216700000000, 0.0061916000000000, -0.0000641700000000 ] - [ -0.0003206200000000, 0.0001834300000000, 0.0000068600000000 ] - [ 0.0008685400000000, -0.0005893100000000, 0.0006933800000000 ] - [ -0.0004271400000000, 0.0000072700000000, -0.0000658000000000 ] - [ -0.0004920600000000, 0.0078719100000000, 0.0015475200000000 ] - [ -0.0001253500000000, 0.0001299600000000, -0.0001082900000000 ] - [ -0.0019099000000000, -0.0055093900000000, 0.0014596300000000 ] - [ -0.0002343600000000, -0.0003622300000000, -0.0000231300000000 ] - [ -0.0188019900000000, -0.0235095300000000, 0.0185294500000000 ] - [ -0.0001762700000000, -0.0000653500000000, -0.0000165300000000 ] - [ 0.0009810900000000, 0.0086796700000000, 0.0016507600000000 ] - [ -0.0001038800000000, 0.0000819500000000, -0.0000741300000000 ] - [ -0.0006086700000000, 0.0014775700000000, -0.0019826700000000 ] - [ -0.0001825600000000, 0.0000304000000000, -0.0001556500000000 ] - [ 0.0006511500000000, 0.0019214500000000, -0.0015964600000000 ] - [ -0.0003276000000000, -0.0001362800000000, 0.0001427400000000 ] - [ 0.0139747300000000, -0.0196466800000000, 0.0155584600000000 ] - [ -0.0001338300000000, -0.0000757700000000, -0.0002452500000000 ]- atom: 17 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ 0.0020390800000000, -0.0013215100000000, 0.0012708100000000 ] - [ -0.0002832800000000, 0.0002723500000000, -0.0001202500000000 ] - [ 0.0002351400000000, 0.0017742700000000, -0.0009012900000000 ] - [ 0.0001297600000000, 0.0001602400000000, 0.0001110700000000 ] - [ 0.0008890000000000, -0.0009562000000000, 0.0039244500000000 ] - [ -0.0000715500000000, 0.0001022000000000, -0.0000973300000000 ] - [ -0.0019304500000000, 0.0016598800000000, 0.0004418900000000 ] - [ 0.0003590000000000, 0.0002617800000000, 0.0001243000000000 ] - [ 0.0027054900000000, 0.0032930200000000, 0.0019136000000000 ] - [ -0.0000948900000000, 0.0001108600000000, 0.0000803500000000 ] - [ -0.0004171100000000, -0.0005513600000000, -0.0008866900000000 ] - [ 0.0003145600000000, 0.0006123600000000, -0.0008039200000000 ] - [ 0.0003347800000000, -0.0006320500000000, 0.0009007600000000 ] - [ -0.0005393600000000, 0.0005402100000000, 0.0008114100000000 ] - [ -0.0033166700000000, -0.0031096000000000, 0.0019816900000000 ] - [ 0.0001401700000000, -0.0002335500000000, 0.0002360100000000 ] - [ 0.0030160900000000, -0.0015346200000000, -0.1179551100000000 ] - [ 0.0001495100000000, -0.0000147200000000, -0.0000620400000000 ] - [ 0.0001799300000000, 0.0003445200000000, 0.0017803400000000 ] - [ -0.0000024800000000, 0.0000031100000000, -0.0000207400000000 ] - [ 0.0115436400000000, -0.0000939100000000, -0.0023653000000000 ] - [ -0.0005006700000000, -0.0011076400000000, -0.0017949300000000 ] - [ 0.0002940500000000, -0.0014508600000000, 0.0024734400000000 ] - [ -0.0001643100000000, 0.0002505800000000, 0.0001914900000000 ] - [ -0.0026281600000000, -0.0020127600000000, 0.0022389800000000 ] - [ -0.0001563800000000, 0.0000263700000000, 0.0003300600000000 ] - [ 0.0105803100000000, -0.0012596700000000, -0.0039155200000000 ] - [ 0.0003073200000000, -0.0002630700000000, -0.0009362800000000 ] - [ -0.0106048500000000, 0.0001297000000000, -0.0056086900000000 ] - [ 0.0015515000000000, 0.0009421800000000, -0.0001677900000000 ] - [ -0.0012463500000000, 0.0011034900000000, 0.0017024500000000 ] - [ -0.0005437100000000, -0.0000339900000000, 0.0012754100000000 ] - [ 0.0002482400000000, 0.0076114600000000, -0.0041797400000000 ] - [ 0.0001191100000000, -0.0002088900000000, 0.0000007800000000 ] - [ 0.0053135100000000, 0.0021193000000000, 0.0196089800000000 ] - [ 0.0001276900000000, -0.0000305600000000, -0.0001404300000000 ] - [ -0.0016083500000000, 0.0025920800000000, 0.0230080600000000 ] - [ 0.0001869600000000, 0.0001857300000000, 0.0003208000000000 ] - [ -0.0008871100000000, -0.0111323000000000, -0.0038597700000000 ] - [ 0.0000480400000000, 0.0000630000000000, 0.0000121000000000 ] - [ -0.0025927000000000, -0.0127369000000000, -0.0051070400000000 ] - [ 0.0001173800000000, 0.0000310700000000, 0.0000132500000000 ] - [ -0.0055111300000000, -0.0047387900000000, 0.0185604800000000 ] - [ 0.0001764100000000, -0.0000653000000000, 0.0000138900000000 ] - [ 0.0028460000000000, 0.0008561100000000, -0.0012650200000000 ] - [ -0.0000767600000000, 0.0000461300000000, -0.0000885500000000 ] - [ -0.0013019000000000, 0.0023615400000000, -0.0003970300000000 ] - [ 0.0000052900000000, -0.0000085400000000, 0.0001659300000000 ] - [ 0.0024665400000000, 0.0007139500000000, -0.0005689400000000 ] - [ -0.0002969400000000, -0.0002326300000000, -0.0000435700000000 ] - [ 0.0003709300000000, 0.0008882700000000, -0.0014933500000000 ] - [ -0.0001458500000000, -0.0001828300000000, -0.0001881300000000 ] - [ -0.0003144300000000, 0.0008570600000000, -0.0016109100000000 ] - [ 0.0000108700000000, 0.0001293800000000, -0.0000396600000000 ] - [ -0.0026038900000000, -0.0015339000000000, 0.0000932400000000 ] - [ 0.0018341300000000, 0.0009320000000000, -0.0002485900000000 ] - [ 0.0001337100000000, 0.0004196400000000, -0.0009687600000000 ] - [ 0.0003974000000000, -0.0001493000000000, -0.0002624900000000 ] - [ 0.0004585700000000, -0.0000488400000000, 0.0029016800000000 ] - [ -0.0027668200000000, -0.0001035800000000, 0.0020128300000000 ] - [ -0.0001101100000000, 0.0000475300000000, -0.0009729100000000 ] - [ 0.0012235000000000, 0.0001074300000000, -0.0008491600000000 ] - [ 0.0019265800000000, 0.0012692800000000, 0.0019598300000000 ] - [ -0.0020228300000000, 0.0000323600000000, 0.0003238100000000 ] - [ 0.0002175800000000, -0.0004165600000000, -0.0001734700000000 ] - [ -0.0001406600000000, 0.0003759800000000, -0.0002279400000000 ] - [ 0.0009973300000000, -0.0015120300000000, 0.0000546200000000 ] - [ -0.0001200600000000, -0.0003246800000000, -0.0002344100000000 ] - [ -0.0021756800000000, 0.0021544600000000, 0.0051198800000000 ] - [ 0.0000772500000000, -0.0001047200000000, 0.0005425000000000 ] - [ -0.0022103400000000, 0.0003100100000000, -0.0011661800000000 ] - [ 0.0001840100000000, -0.0002159000000000, 0.0002701500000000 ] - [ 0.0016605600000000, -0.0002411100000000, -0.0013812700000000 ] - [ -0.0000589400000000, -0.0002195700000000, -0.0004290200000000 ] - [ -0.0026588900000000, -0.0015080300000000, 0.0010484600000000 ] - [ -0.0000729600000000, 0.0001894500000000, 0.0001324400000000 ] - [ 0.0004733500000000, -0.0015917800000000, -0.0015849000000000 ] - [ 0.0001891500000000, -0.0001034100000000, -0.0000365100000000 ] - [ 0.0175236100000000, 0.0195655200000000, 0.0225022500000000 ] - [ -0.0001147000000000, -0.0000010800000000, 0.0000630600000000 ] - [ -0.0171800300000000, 0.0185664400000000, 0.0225445700000000 ] - [ -0.0004826400000000, -0.0001164800000000, -0.0002430600000000 ] - [ 0.0005950500000000, 0.0018473400000000, -0.0090661200000000 ] - [ -0.0001619200000000, -0.0000164100000000, -0.0000924200000000 ] - [ -0.0001371000000000, -0.0017548700000000, -0.0016019900000000 ] - [ 0.0000366700000000, 0.0000706700000000, 0.0000421100000000 ] - [ -0.0008272700000000, 0.0001487400000000, 0.0012930400000000 ] - [ -0.0000862000000000, -0.0001076000000000, 0.0001118900000000 ] - [ -0.0015051600000000, 0.0013783500000000, -0.0086949300000000 ] - [ -0.0001324900000000, -0.0000399400000000, -0.0000641400000000 ] - [ 0.0013674300000000, 0.0025355300000000, 0.0032906300000000 ] - [ -0.0000703600000000, 0.0001465600000000, 0.0001109000000000 ] - [ -0.0013608900000000, -0.0006417400000000, -0.0083752500000000 ] - [ -0.0000731200000000, 0.0000667400000000, -0.0002128600000000 ] - [ 0.0011493500000000, 0.0013659500000000, 0.0039562600000000 ] - [ -0.0000052900000000, -0.0000432100000000, 0.0000267100000000 ] - [ -0.0000398600000000, 0.0000925000000000, -0.0058054200000000 ] - [ -0.0000783900000000, -0.0001293600000000, -0.0001034900000000 ] - [ -0.0176915500000000, -0.0181404400000000, 0.0232007100000000 ] - [ -0.0000976500000000, 0.0000113700000000, 0.0000220600000000 ] - [ -0.0003997400000000, 0.0008128200000000, 0.0045422400000000 ] - [ 0.0001127600000000, -0.0000683800000000, 0.0000679300000000 ] - [ -0.0001023700000000, 0.0006306800000000, -0.0013073000000000 ] - [ 0.0000524200000000, -0.0000714000000000, -0.0000241400000000 ] - [ 0.0006258800000000, 0.0014108800000000, -0.0019246100000000 ] - [ -0.0000539400000000, -0.0000891800000000, 0.0000626800000000 ] - [ 0.0127351800000000, -0.0114799000000000, 0.0208034400000000 ] - [ -0.0000004900000000, 0.0001552000000000, 0.0000766900000000 ]- atom: 17 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ -0.0023294200000000, 0.0016564700000000, -0.0012730900000000 ] - [ 0.0000081500000000, 0.0000456100000000, 0.0001146700000000 ] - [ -0.0000392300000000, -0.0015183600000000, 0.0011220800000000 ] - [ 0.0000644300000000, 0.0000984900000000, 0.0001158700000000 ] - [ -0.0010548600000000, 0.0011862100000000, -0.0041289400000000 ] - [ -0.0001241100000000, 0.0001569200000000, -0.0001269800000000 ] - [ 0.0022189900000000, -0.0013549600000000, -0.0004235300000000 ] - [ -0.0000843500000000, 0.0000571500000000, -0.0001118700000000 ] - [ -0.0024952000000000, -0.0032434900000000, -0.0019265000000000 ] - [ 0.0002743500000000, -0.0000892200000000, -0.0000820000000000 ] - [ 0.0002330300000000, 0.0005014600000000, 0.0009881600000000 ] - [ -0.0004952100000000, -0.0006635600000000, 0.0009026200000000 ] - [ -0.0001603800000000, 0.0005844900000000, -0.0009972600000000 ] - [ 0.0007297400000000, -0.0005934600000000, -0.0009112800000000 ] - [ 0.0031062200000000, 0.0031004000000000, -0.0019888600000000 ] - [ -0.0003236200000000, 0.0002581600000000, -0.0002351400000000 ] - [ -0.0025809800000000, 0.0011020800000000, 0.1179608100000000 ] - [ -0.0001791300000000, 0.0000480000000000, 0.0001616700000000 ] - [ -0.0001477300000000, -0.0003097100000000, -0.0018756100000000 ] - [ 0.0000283900000000, 0.0000298400000000, -0.0000741600000000 ] - [ -0.0113359100000000, 0.0001658600000000, 0.0023189100000000 ] - [ 0.0007670300000000, 0.0011858700000000, 0.0017691800000000 ] - [ -0.0002635400000000, 0.0012615700000000, -0.0025894000000000 ] - [ 0.0001879100000000, -0.0004406600000000, -0.0002956700000000 ] - [ 0.0021186200000000, 0.0018797800000000, -0.0023124200000000 ] - [ -0.0003590600000000, -0.0001699300000000, -0.0004090100000000 ] - [ -0.0100331300000000, 0.0011118200000000, 0.0040165200000000 ] - [ 0.0001998800000000, 0.0001186500000000, 0.0010267000000000 ] - [ 0.0106074500000000, -0.0003265300000000, 0.0057116100000000 ] - [ -0.0015871900000000, -0.0011383800000000, 0.0002750000000000 ] - [ 0.0009673600000000, -0.0010182200000000, -0.0016797300000000 ] - [ 0.0002764100000000, 0.0001153800000000, -0.0012522300000000 ] - [ -0.0002118700000000, -0.0076685200000000, 0.0044171700000000 ] - [ -0.0000828000000000, 0.0001196900000000, 0.0002148500000000 ] - [ -0.0053270400000000, -0.0022449200000000, -0.0198517700000000 ] - [ -0.0000291300000000, 0.0000224600000000, -0.0001153900000000 ] - [ 0.0017631100000000, -0.0024354500000000, -0.0231843200000000 ] - [ 0.0000908600000000, -0.0001294600000000, -0.0004889300000000 ] - [ 0.0006254200000000, 0.0112390700000000, 0.0040060300000000 ] - [ -0.0003269600000000, -0.0000068500000000, 0.0001569200000000 ] - [ 0.0024837900000000, 0.0126820600000000, 0.0053929700000000 ] - [ -0.0002192600000000, -0.0000368500000000, 0.0002490500000000 ] - [ 0.0055841400000000, 0.0047929900000000, -0.0187668800000000 ] - [ -0.0002153100000000, -0.0000291200000000, -0.0002249800000000 ] - [ -0.0027011400000000, -0.0010310500000000, 0.0013507100000000 ] - [ 0.0002395400000000, -0.0002057700000000, 0.0001768000000000 ] - [ 0.0014346700000000, -0.0023327900000000, 0.0003178000000000 ] - [ 0.0001144000000000, 0.0000524400000000, -0.0002458000000000 ] - [ -0.0025945200000000, -0.0009351400000000, 0.0005329400000000 ] - [ 0.0001619300000000, 0.0000110700000000, 0.0000133700000000 ] - [ -0.0004926200000000, -0.0009078000000000, 0.0016584500000000 ] - [ 0.0000265900000000, 0.0001641100000000, 0.0003518200000000 ] - [ 0.0004148400000000, -0.0005323100000000, 0.0016462900000000 ] - [ 0.0000950900000000, 0.0001919000000000, 0.0000608800000000 ] - [ 0.0027273300000000, 0.0015321700000000, -0.0001872900000000 ] - [ -0.0017105700000000, -0.0009452800000000, 0.0001451600000000 ] - [ -0.0000085100000000, -0.0002928900000000, 0.0011161900000000 ] - [ -0.0002653100000000, 0.0002786200000000, 0.0004083500000000 ] - [ -0.0004743600000000, 0.0000647500000000, -0.0030599600000000 ] - [ 0.0027466000000000, 0.0001196400000000, -0.0021565100000000 ] - [ 0.0001352900000000, -0.0000300800000000, 0.0011190500000000 ] - [ -0.0012066200000000, -0.0000895200000000, 0.0009982100000000 ] - [ -0.0020498200000000, -0.0011394600000000, -0.0020953400000000 ] - [ 0.0019028700000000, 0.0000956300000000, -0.0004640700000000 ] - [ -0.0003359600000000, 0.0004001400000000, 0.0002847400000000 ] - [ 0.0000153500000000, -0.0003940200000000, 0.0003380100000000 ] - [ -0.0011024900000000, 0.0018398000000000, -0.0000643500000000 ] - [ 0.0000161300000000, 0.0006512800000000, 0.0002211700000000 ] - [ 0.0022941000000000, -0.0021755400000000, -0.0053000800000000 ] - [ 0.0000443100000000, 0.0000868300000000, -0.0007079400000000 ] - [ 0.0023576600000000, -0.0005239400000000, 0.0011721300000000 ] - [ -0.0000463600000000, -0.0000046600000000, -0.0002447900000000 ] - [ -0.0017768400000000, 0.0002782000000000, 0.0014872600000000 ] - [ -0.0000585300000000, 0.0002653100000000, 0.0005181800000000 ] - [ 0.0024809100000000, 0.0013446100000000, -0.0011278300000000 ] - [ -0.0000936000000000, -0.0003518200000000, -0.0002177100000000 ] - [ -0.0003988700000000, 0.0016256700000000, 0.0017863800000000 ] - [ -0.0001251200000000, 0.0001469200000000, 0.0002324800000000 ] - [ -0.0183258700000000, -0.0206145300000000, -0.0232463300000000 ] - [ 0.0001575500000000, -0.0001727500000000, -0.0002449100000000 ] - [ 0.0160511500000000, -0.0177467800000000, -0.0216557800000000 ] - [ 0.0003510200000000, 0.0000374400000000, 0.0003274200000000 ] - [ -0.0007556600000000, -0.0018797100000000, 0.0090517800000000 ] - [ -0.0000249300000000, -0.0000167600000000, 0.0001446700000000 ] - [ 0.0002244700000000, 0.0017898000000000, 0.0015958300000000 ] - [ 0.0000426200000000, -0.0000454300000000, -0.0000211400000000 ] - [ 0.0007182700000000, -0.0004437500000000, -0.0011761000000000 ] - [ -0.0000156900000000, -0.0001806400000000, 0.0000151900000000 ] - [ 0.0012877300000000, -0.0014062100000000, 0.0088218600000000 ] - [ -0.0000877400000000, 0.0000155200000000, 0.0001301800000000 ] - [ -0.0012750800000000, -0.0023865200000000, -0.0031370200000000 ] - [ 0.0001792000000000, -0.0000008900000000, 0.0000322900000000 ] - [ 0.0012598800000000, 0.0007588100000000, 0.0081817300000000 ] - [ -0.0000368600000000, 0.0000795900000000, 0.0000775900000000 ] - [ -0.0009226700000000, -0.0013838900000000, -0.0040304600000000 ] - [ 0.0002310800000000, 0.0000199400000000, -0.0000904500000000 ] - [ 0.0001330500000000, -0.0003853700000000, 0.0057435000000000 ] - [ 0.0001811100000000, -0.0001508700000000, -0.0000202600000000 ] - [ 0.0184088400000000, 0.0191445700000000, -0.0238424800000000 ] - [ 0.0000207200000000, 0.0000084600000000, -0.0000468800000000 ] - [ 0.0005896100000000, -0.0008536600000000, -0.0045774400000000 ] - [ 0.0000751500000000, 0.0000330900000000, -0.0001132500000000 ] - [ 0.0002346600000000, -0.0007063400000000, 0.0012481100000000 ] - [ 0.0000852700000000, -0.0000074400000000, -0.0000520400000000 ] - [ -0.0006731400000000, -0.0015936000000000, 0.0020756500000000 ] - [ 0.0000147900000000, -0.0000880800000000, 0.0001180800000000 ] - [ -0.0121592300000000, 0.0109256300000000, -0.0207007500000000 ] - [ -0.0000655100000000, -0.0001094800000000, -0.0002681500000000 ]- atom: 21 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ 0.0013567900000000, 0.0000143500000000, 0.0005142300000000 ] - [ 0.0000487400000000, 0.0016341400000000, -0.0014557700000000 ] - [ 0.0013095800000000, 0.0010187000000000, -0.0004400900000000 ] - [ 0.0011303800000000, 0.0007716400000000, 0.0001139600000000 ] - [ 0.0018530400000000, -0.0004933000000000, -0.0146549600000000 ] - [ 0.0017968900000000, -0.0004844800000000, -0.0006934700000000 ] - [ -0.0050097200000000, -0.0007230700000000, 0.0016593900000000 ] - [ 0.0022189800000000, 0.0002201300000000, 0.0002859200000000 ] - [ -0.0091484700000000, -0.0010571000000000, -0.0009771400000000 ] - [ 0.0039040100000000, 0.0001116300000000, -0.0003712900000000 ] - [ -0.0093934900000000, -0.0032592000000000, -0.0003223500000000 ] - [ 0.0039259000000000, 0.0005373900000000, 0.0000290700000000 ] - [ 0.0038833600000000, -0.0006475400000000, -0.0002702100000000 ] - [ -0.0073562900000000, 0.0014837800000000, 0.0038675500000000 ] - [ 0.0062305100000000, 0.0004599600000000, -0.0018599800000000 ] - [ 0.0122094700000000, -0.0122221600000000, 0.0105503400000000 ] - [ 0.0172822000000000, -0.0123759400000000, 0.0115487800000000 ] - [ 0.0060742400000000, 0.0003434100000000, -0.0005458900000000 ] - [ 0.0007461800000000, 0.0014568900000000, -0.0011501600000000 ] - [ 0.0022154400000000, -0.0003321900000000, -0.0004430500000000 ] - [ -0.2233691500000000, -0.0429751600000000, 0.0327001800000000 ] - [ 0.0091938200000000, 0.0030142200000000, -0.0027676900000000 ] - [ -0.0231091100000000, 0.0008314300000000, -0.0054385800000000 ] - [ 0.0068348100000000, -0.0004343000000000, 0.0000283900000000 ] - [ -0.0125291900000000, -0.0001275500000000, 0.0039135800000000 ] - [ 0.0070040800000000, 0.0016765200000000, -0.0027508900000000 ] - [ 0.0092455900000000, -0.0017891600000000, -0.0020120500000000 ] - [ 0.0117558500000000, -0.0060934500000000, -0.0553278700000000 ] - [ 0.0084280300000000, -0.0000874600000000, 0.0001891100000000 ] - [ 0.0078384300000000, 0.0594378300000000, 0.0071160100000000 ] - [ 0.0073751300000000, -0.0021986700000000, -0.0031387700000000 ] - [ -0.0089274900000000, 0.0047880800000000, 0.0083743700000000 ] - [ 0.0082817400000000, 0.0015464600000000, 0.0058478500000000 ] - [ 0.0085510800000000, -0.0058045400000000, -0.0010110800000000 ] - [ 0.0024848200000000, -0.0012810900000000, 0.0001219000000000 ] - [ 0.0068488600000000, 0.0000104100000000, -0.0011219200000000 ] - [ 0.0060104400000000, -0.0044303800000000, -0.0031848100000000 ] - [ 0.0064513800000000, 0.0042759400000000, 0.0060796100000000 ] - [ 0.0063948500000000, 0.0743795800000000, -0.0025287800000000 ] - [ 0.0096487800000000, 0.0017069500000000, 0.0033320600000000 ] - [ -0.0077940200000000, 0.0031042800000000, 0.0072895300000000 ] - [ 0.0070883700000000, -0.0002687900000000, -0.0007256900000000 ] - [ -0.0077887500000000, -0.0010431900000000, 0.0020621900000000 ] - [ 0.0072609800000000, 0.0033642000000000, 0.0008897300000000 ] - [ 0.0077363900000000, 0.0002936000000000, -0.0005948200000000 ] - [ -0.0050745500000000, -0.0013414300000000, 0.0005908200000000 ] - [ 0.0267282300000000, -0.0057094000000000, 0.0020929800000000 ] - [ -0.0045129800000000, -0.0009871600000000, -0.0001443900000000 ] - [ 0.0081881200000000, -0.0003735200000000, -0.0023276700000000 ] - [ -0.0045946100000000, -0.0005250100000000, 0.0011119900000000 ] - [ 0.0026985700000000, -0.0006518600000000, 0.0016135200000000 ] - [ -0.0015912300000000, -0.0003116100000000, 0.0006634900000000 ] - [ 0.0205571100000000, 0.0017872400000000, 0.0064501700000000 ] - [ -0.0021929500000000, -0.0003202100000000, 0.0004999300000000 ] - [ 0.0258552500000000, 0.0072943600000000, -0.0018377400000000 ] - [ -0.0046842400000000, -0.0008847300000000, 0.0005707500000000 ] - [ 0.0076617400000000, -0.0022755900000000, -0.0006536600000000 ] - [ -0.0036780400000000, 0.0001577600000000, 0.0007842000000000 ] - [ 0.0298888600000000, 0.0009980000000000, -0.0106667300000000 ] - [ -0.0055202400000000, -0.0003223200000000, 0.0017742600000000 ] - [ -0.0047757300000000, 0.0001896600000000, 0.0019882300000000 ] - [ 0.0076177400000000, -0.0008378700000000, -0.0033874600000000 ] - [ -0.0046928700000000, 0.0000237600000000, 0.0004719300000000 ] - [ 0.0246272700000000, -0.0113697100000000, 0.0059868600000000 ] - [ -0.0045482000000000, 0.0005177500000000, 0.0007710900000000 ] - [ 0.0090516700000000, 0.0017154800000000, -0.0038058200000000 ] - [ -0.0024600000000000, 0.0008348600000000, 0.0006596600000000 ] - [ 0.0022703800000000, -0.0115905600000000, -0.0048349600000000 ] - [ -0.0015357200000000, 0.0003738200000000, 0.0000706000000000 ] - [ 0.0001862500000000, -0.0067111700000000, 0.0067375400000000 ] - [ -0.0038156600000000, 0.0004627000000000, 0.0003121300000000 ] - [ -0.0024036800000000, -0.0007928500000000, 0.0092272300000000 ] - [ -0.0037635700000000, 0.0010713600000000, 0.0006056200000000 ] - [ -0.0000449700000000, -0.0061096700000000, -0.0054631800000000 ] - [ -0.0053065500000000, 0.0007796300000000, 0.0001281900000000 ] - [ -0.0033062000000000, 0.0072782800000000, 0.0039242200000000 ] - [ -0.0042077500000000, 0.0010998200000000, 0.0008896500000000 ] - [ 0.0012568500000000, -0.0025365200000000, -0.0012419200000000 ] - [ -0.0061462700000000, -0.0002852700000000, -0.0041009000000000 ] - [ -0.0043874300000000, 0.0015523800000000, 0.0039819000000000 ] - [ -0.0073963600000000, 0.0032460000000000, 0.0016496100000000 ] - [ -0.0057077500000000, -0.0047835600000000, -0.0034121900000000 ] - [ -0.0033922800000000, 0.0015588100000000, 0.0033118400000000 ] - [ -0.0040969800000000, -0.0011171100000000, -0.0028756600000000 ] - [ -0.0006158300000000, 0.0002482800000000, -0.0014687500000000 ] - [ -0.0012631200000000, 0.0016143200000000, 0.0010935100000000 ] - [ -0.0007187300000000, -0.0021148500000000, -0.0011463200000000 ] - [ -0.0036340400000000, 0.0018563500000000, 0.0003205700000000 ] - [ -0.0000538600000000, 0.0007140300000000, 0.0006948700000000 ] - [ -0.0029722500000000, -0.0013875700000000, -0.0010634800000000 ] - [ -0.0067314200000000, -0.0056230400000000, -0.0019963500000000 ] - [ -0.0073312500000000, 0.0026225300000000, -0.0003678100000000 ] - [ -0.0002648000000000, 0.0031655400000000, 0.0033958300000000 ] - [ -0.0045285100000000, -0.0005339500000000, -0.0007706600000000 ] - [ -0.0008714900000000, -0.0069781600000000, -0.0083314200000000 ] - [ -0.0036393100000000, 0.0004119900000000, -0.0008102700000000 ] - [ 0.0020427500000000, 0.0005320400000000, 0.0002326200000000 ] - [ -0.0042955000000000, -0.0017319500000000, -0.0000961100000000 ] - [ 0.0012588600000000, 0.0029952000000000, -0.0063321300000000 ] - [ -0.0018610900000000, -0.0006780100000000, -0.0000268900000000 ] - [ 0.0033810300000000, -0.0112014300000000, -0.0029658000000000 ] - [ -0.0021167900000000, -0.0001136600000000, -0.0003916300000000 ] - [ 0.0091526800000000, -0.0054997500000000, 0.0109924400000000 ] - [ -0.0040583900000000, -0.0001348800000000, -0.0011799800000000 ] - [ 0.0041771200000000, 0.0000320500000000, -0.0021234900000000 ] - [ -0.0031844000000000, -0.0008666600000000, 0.0005080300000000 ] - [ 0.0752571100000000, -0.0158207700000000, -0.0028777600000000 ] - [ -0.0060734800000000, -0.0009649600000000, -0.0001315900000000 ]- atom: 21 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ -0.0016272600000000, 0.0003051900000000, -0.0005223300000000 ] - [ -0.0003255900000000, -0.0013153700000000, 0.0014450600000000 ] - [ -0.0011093600000000, -0.0007517100000000, 0.0006627200000000 ] - [ -0.0009334500000000, -0.0005172000000000, 0.0001115200000000 ] - [ -0.0020756100000000, 0.0007349800000000, 0.0145973000000000 ] - [ -0.0019866500000000, 0.0007435100000000, 0.0004666000000000 ] - [ 0.0053173200000000, 0.0010580400000000, -0.0016403200000000 ] - [ -0.0019413500000000, 0.0000983500000000, -0.0002751800000000 ] - [ 0.0093624900000000, 0.0010527200000000, 0.0009450900000000 ] - [ -0.0037193500000000, -0.0000898100000000, 0.0003705600000000 ] - [ 0.0091674300000000, 0.0032121100000000, 0.0003935400000000 ] - [ -0.0040995200000000, -0.0005886600000000, 0.0000684300000000 ] - [ -0.0036972100000000, 0.0005965100000000, 0.0001715000000000 ] - [ 0.0074767800000000, -0.0015332600000000, -0.0039761000000000 ] - [ -0.0064032900000000, -0.0004447800000000, 0.0018533800000000 ] - [ -0.0121959300000000, 0.0120984100000000, -0.0104082200000000 ] - [ -0.0175046100000000, 0.0125132800000000, -0.0115614400000000 ] - [ -0.0060951000000000, -0.0003057800000000, 0.0006414100000000 ] - [ -0.0007061200000000, -0.0014168400000000, 0.0010531000000000 ] - [ -0.0021870000000000, 0.0003616100000000, 0.0003467900000000 ] - [ 0.2280054900000000, 0.0435793100000000, -0.0323195200000000 ] - [ -0.0089131300000000, -0.0029310500000000, 0.0027399500000000 ] - [ 0.0230769200000000, -0.0008422800000000, 0.0052623800000000 ] - [ -0.0067928900000000, 0.0002434300000000, -0.0001286800000000 ] - [ 0.0119950200000000, 0.0000043700000000, -0.0039878700000000 ] - [ -0.0075004800000000, -0.0018166600000000, 0.0026659300000000 ] - [ -0.0087336800000000, 0.0016347000000000, 0.0020865700000000 ] - [ -0.0112179900000000, 0.0059526500000000, 0.0546566000000000 ] - [ -0.0084627000000000, -0.0001020500000000, -0.0000895500000000 ] - [ -0.0078381900000000, -0.0589452200000000, -0.0069885300000000 ] - [ -0.0076319700000000, 0.0022811900000000, 0.0031625300000000 ] - [ 0.0086188100000000, -0.0047142200000000, -0.0083142900000000 ] - [ -0.0082264900000000, -0.0016594800000000, -0.0056146600000000 ] - [ -0.0084939600000000, 0.0056982400000000, 0.0011991200000000 ] - [ -0.0023562500000000, 0.0012653700000000, -0.0003799200000000 ] - [ -0.0067515600000000, -0.0000145300000000, 0.0008899500000000 ] - [ -0.0057315600000000, 0.0044966300000000, 0.0030479700000000 ] - [ -0.0061635600000000, -0.0041864000000000, -0.0062507100000000 ] - [ -0.0068400700000000, -0.0747807700000000, 0.0027262100000000 ] - [ -0.0098917500000000, -0.0016498600000000, -0.0031599000000000 ] - [ 0.0077226900000000, -0.0030796700000000, -0.0070105800000000 ] - [ -0.0071791600000000, 0.0002589100000000, 0.0009829100000000 ] - [ 0.0077951900000000, 0.0009263500000000, -0.0022737000000000 ] - [ -0.0072898800000000, -0.0034535900000000, -0.0011011400000000 ] - [ -0.0075816500000000, -0.0004422200000000, 0.0006832200000000 ] - [ 0.0052331200000000, 0.0011788300000000, -0.0005037400000000 ] - [ -0.0268020500000000, 0.0063701800000000, -0.0022975500000000 ] - [ 0.0046242300000000, 0.0010275900000000, 0.0000591500000000 ] - [ -0.0083215800000000, 0.0001506700000000, 0.0022953800000000 ] - [ 0.0044550300000000, 0.0003040300000000, -0.0011383000000000 ] - [ -0.0028081600000000, 0.0006023700000000, -0.0014287300000000 ] - [ 0.0014684200000000, 0.0002935600000000, -0.0004979500000000 ] - [ -0.0207063800000000, -0.0014445100000000, -0.0067873500000000 ] - [ 0.0022942700000000, 0.0006436600000000, -0.0004805100000000 ] - [ -0.0258493500000000, -0.0080539500000000, 0.0016174300000000 ] - [ 0.0048031000000000, 0.0008734500000000, -0.0006769200000000 ] - [ -0.0075131000000000, 0.0023958100000000, 0.0007820400000000 ] - [ 0.0037992500000000, -0.0000300400000000, -0.0006414500000000 ] - [ -0.0300980500000000, -0.0009220700000000, 0.0110113300000000 ] - [ 0.0054953800000000, 0.0003396500000000, -0.0019212600000000 ] - [ 0.0047901200000000, -0.0001717100000000, -0.0018382100000000 ] - [ -0.0075691600000000, 0.0008527800000000, 0.0035242500000000 ] - [ 0.0045629400000000, 0.0001055900000000, -0.0006126700000000 ] - [ -0.0211700300000000, 0.0116249400000000, -0.0061663600000000 ] - [ 0.0044173800000000, -0.0005306600000000, -0.0006619300000000 ] - [ -0.0090994800000000, -0.0017047900000000, 0.0038794900000000 ] - [ 0.0023526100000000, -0.0005119200000000, -0.0006752700000000 ] - [ -0.0023928300000000, 0.0118737800000000, 0.0047981900000000 ] - [ 0.0016566300000000, -0.0003912000000000, -0.0002354200000000 ] - [ -0.0000273000000000, 0.0066290000000000, -0.0068574600000000 ] - [ 0.0039417700000000, -0.0006818800000000, -0.0002811200000000 ] - [ 0.0025180400000000, 0.0005596200000000, -0.0091887300000000 ] - [ 0.0036417900000000, -0.0010273100000000, -0.0005215300000000 ] - [ -0.0000357100000000, 0.0061186500000000, 0.0055471800000000 ] - [ 0.0051186600000000, -0.0009308100000000, -0.0002154500000000 ] - [ 0.0031600200000000, -0.0074386400000000, -0.0039498700000000 ] - [ 0.0042649000000000, -0.0010598800000000, -0.0006986500000000 ] - [ -0.0011794100000000, 0.0025771300000000, 0.0014281600000000 ] - [ 0.0061993600000000, 0.0001264400000000, 0.0039399800000000 ] - [ 0.0044522400000000, -0.0017277800000000, -0.0041323000000000 ] - [ 0.0072826500000000, -0.0033408900000000, -0.0015832200000000 ] - [ 0.0056119700000000, 0.0046725300000000, 0.0035152100000000 ] - [ 0.0032134100000000, -0.0015911800000000, -0.0032832700000000 ] - [ 0.0038782300000000, 0.0010662100000000, 0.0028858500000000 ] - [ 0.0006887600000000, -0.0002205600000000, 0.0014823000000000 ] - [ 0.0013425200000000, -0.0015903400000000, -0.0010716500000000 ] - [ 0.0006032300000000, 0.0018202500000000, 0.0012699200000000 ] - [ 0.0035260800000000, -0.0021414800000000, -0.0001927200000000 ] - [ -0.0001796400000000, -0.0007327000000000, -0.0006358600000000 ] - [ 0.0027508200000000, 0.0013589200000000, 0.0011294600000000 ] - [ 0.0067564400000000, 0.0057747000000000, 0.0021207600000000 ] - [ 0.0073953400000000, -0.0024573900000000, 0.0005207700000000 ] - [ 0.0001383200000000, -0.0030451800000000, -0.0035542900000000 ] - [ 0.0044205400000000, 0.0006781000000000, 0.0006347600000000 ] - [ 0.0010787500000000, 0.0069830800000000, 0.0082402700000000 ] - [ 0.0038618100000000, -0.0004308700000000, 0.0007462000000000 ] - [ -0.0019727100000000, -0.0008051800000000, -0.0003645500000000 ] - [ 0.0043923900000000, 0.0014433900000000, -0.0000301200000000 ] - [ -0.0013503800000000, -0.0030268800000000, 0.0063397000000000 ] - [ 0.0017825900000000, 0.0006957500000000, 0.0000015300000000 ] - [ -0.0032012800000000, 0.0111875900000000, 0.0029194200000000 ] - [ 0.0022999400000000, 0.0000804700000000, 0.0003473100000000 ] - [ -0.0090461700000000, 0.0054308700000000, -0.0110443100000000 ] - [ 0.0041865400000000, 0.0000573000000000, 0.0010996000000000 ] - [ -0.0042221200000000, -0.0002141300000000, 0.0022993300000000 ] - [ 0.0031395300000000, 0.0006906700000000, -0.0003309800000000 ] - [ -0.0823840800000000, 0.0150933800000000, 0.0028976900000000 ] - [ 0.0059960400000000, 0.0010085200000000, -0.0000606600000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002395100000000, 0.0004330300000000, 0.0002783200000000 ] - [ 0.0002313600000000, 0.0015676300000000, -0.0011308900000000 ] - [ 0.0006495400000000, 0.0012407600000000, -0.0003006800000000 ] - [ 0.0011871900000000, 0.0012351900000000, -0.0001747300000000 ] - [ -0.0001352500000000, -0.0037397500000000, -0.0009132000000000 ] - [ 0.0004985500000000, -0.0003246100000000, -0.0002422000000000 ] - [ 0.0006010400000000, -0.0010762000000000, 0.0026345500000000 ] - [ 0.0007057600000000, 0.0001023700000000, 0.0001519400000000 ] - [ -0.0143350600000000, 0.0221319600000000, 0.0109024100000000 ] - [ 0.0017119900000000, 0.0004226200000000, -0.0002749000000000 ] - [ -0.0128224900000000, 0.0179278000000000, 0.0076669000000000 ] - [ 0.0014864800000000, 0.0004684500000000, -0.0000625700000000 ] - [ 0.0011896500000000, -0.0004208900000000, -0.0000104400000000 ] - [ -0.0010452800000000, -0.0044808600000000, 0.0064567900000000 ] - [ 0.0023619300000000, -0.0011523000000000, -0.0012966000000000 ] - [ -0.0044686100000000, -0.0036449700000000, 0.0004797900000000 ] - [ -0.0039462500000000, -0.0038157100000000, -0.0000936200000000 ] - [ 0.0025006300000000, -0.0014273100000000, -0.0010865700000000 ] - [ 0.0013788500000000, 0.0022468300000000, -0.0010983500000000 ] - [ 0.0004584600000000, 0.0004979800000000, 0.0000317800000000 ] - [ -0.0434581300000000, -0.2298894300000000, 0.0018010300000000 ] - [ 0.0030966300000000, 0.0004456200000000, -0.0010788500000000 ] - [ -0.0077375200000000, 0.0110050300000000, -0.0466133000000000 ] - [ 0.0021341600000000, -0.0001828800000000, -0.0001253500000000 ] - [ -0.0043116100000000, 0.0073619700000000, 0.0012979800000000 ] - [ 0.0020345300000000, 0.0008860700000000, -0.0006695500000000 ] - [ 0.0029362500000000, -0.0019509300000000, -0.0003578900000000 ] - [ -0.0120744700000000, -0.0203404100000000, -0.0042244900000000 ] - [ 0.0014884400000000, -0.0000629800000000, -0.0004679900000000 ] - [ 0.0759637000000000, 0.0168239500000000, -0.0092508200000000 ] - [ 0.0020926100000000, 0.0003027800000000, -0.0010180100000000 ] - [ -0.0048468600000000, 0.0146343300000000, 0.0065874800000000 ] - [ 0.0051905600000000, -0.0008887900000000, 0.0042119600000000 ] - [ -0.0024727800000000, 0.0000032300000000, 0.0004302400000000 ] - [ 0.0007242400000000, -0.0028975300000000, 0.0006740000000000 ] - [ 0.0003379700000000, -0.0024011800000000, 0.0005806500000000 ] - [ -0.0034420100000000, -0.0006854500000000, -0.0005623700000000 ] - [ 0.0061262200000000, 0.0000712700000000, 0.0071086500000000 ] - [ 0.0595556200000000, 0.0164428700000000, 0.0039761000000000 ] - [ 0.0016971700000000, 0.0005465400000000, 0.0005010200000000 ] - [ -0.0028507300000000, 0.0116937500000000, 0.0029626700000000 ] - [ 0.0018784800000000, 0.0010236200000000, -0.0001215300000000 ] - [ -0.0013297600000000, -0.0012656900000000, 0.0007593100000000 ] - [ 0.0027534500000000, 0.0006696400000000, 0.0010523000000000 ] - [ 0.0014243100000000, -0.0013825000000000, -0.0009518400000000 ] - [ -0.0017550500000000, -0.0006437100000000, 0.0000598700000000 ] - [ -0.0126976300000000, 0.0125131500000000, 0.0057478100000000 ] - [ -0.0011897400000000, -0.0001452400000000, 0.0000447700000000 ] - [ 0.0016355000000000, -0.0057410100000000, -0.0008553600000000 ] - [ -0.0014397800000000, -0.0003949900000000, 0.0001940400000000 ] - [ 0.0000805400000000, -0.0057353600000000, 0.0074232200000000 ] - [ -0.0005178800000000, -0.0002394200000000, 0.0002576200000000 ] - [ 0.0014102200000000, 0.0254262600000000, -0.0066780800000000 ] - [ -0.0006489500000000, 0.0002067800000000, 0.0001976400000000 ] - [ -0.0137969300000000, 0.1005073900000000, 0.0059979900000000 ] - [ -0.0013059600000000, 0.0000102400000000, 0.0002234300000000 ] - [ 0.0024626000000000, -0.0090665700000000, -0.0007914000000000 ] - [ -0.0011061500000000, -0.0001496200000000, 0.0002576900000000 ] - [ 0.0076239600000000, 0.0196747100000000, 0.0063829700000000 ] - [ -0.0017883300000000, 0.0000915900000000, 0.0006169300000000 ] - [ -0.0014768100000000, -0.0000833600000000, 0.0005484000000000 ] - [ 0.0033309800000000, -0.0015947900000000, -0.0014576400000000 ] - [ -0.0015839600000000, 0.0005547000000000, 0.0001908400000000 ] - [ -0.0064667500000000, 0.0228065900000000, 0.0029514800000000 ] - [ -0.0017357500000000, -0.0001911300000000, 0.0005420500000000 ] - [ 0.0078444900000000, -0.0069731100000000, 0.0033821600000000 ] - [ -0.0008650400000000, -0.0002145600000000, 0.0003713700000000 ] - [ -0.0022497400000000, -0.0138811400000000, -0.0029107900000000 ] - [ -0.0002897600000000, 0.0004590400000000, 0.0002692900000000 ] - [ -0.0027451900000000, 0.0098646600000000, 0.0127419000000000 ] - [ -0.0009921600000000, 0.0003318700000000, -0.0001551800000000 ] - [ 0.0010129100000000, 0.0010821200000000, 0.0011350000000000 ] - [ -0.0001465200000000, -0.0000366600000000, 0.0002144700000000 ] - [ -0.0068799800000000, -0.0043139800000000, -0.0076207500000000 ] - [ -0.0031682100000000, 0.0011368000000000, -0.0003362700000000 ] - [ 0.0054113800000000, 0.0028124100000000, -0.0021551400000000 ] - [ -0.0012383300000000, -0.0012037800000000, 0.0004096100000000 ] - [ 0.0005767600000000, -0.0027864100000000, -0.0012072100000000 ] - [ -0.0012759900000000, 0.0011641900000000, -0.0011335000000000 ] - [ 0.0001878700000000, 0.0023765800000000, 0.0008820700000000 ] - [ -0.0004723300000000, 0.0004209800000000, 0.0006743500000000 ] - [ -0.0104824000000000, 0.0009551600000000, -0.0046465800000000 ] - [ -0.0006452500000000, 0.0018116500000000, 0.0003778400000000 ] - [ -0.0004682900000000, 0.0017835600000000, -0.0012407200000000 ] - [ -0.0007386200000000, 0.0014395500000000, -0.0010261900000000 ] - [ 0.0001609500000000, 0.0011238000000000, -0.0003165100000000 ] - [ -0.0004334300000000, -0.0020934800000000, -0.0008127700000000 ] - [ -0.0008900300000000, -0.0012453900000000, 0.0004645600000000 ] - [ 0.0008173500000000, 0.0009568200000000, -0.0006806300000000 ] - [ -0.0015963400000000, 0.0006862600000000, -0.0016160800000000 ] - [ -0.0102758700000000, -0.0001452300000000, -0.0020862800000000 ] - [ -0.0006846100000000, 0.0002546500000000, 0.0002008600000000 ] - [ 0.0061460700000000, 0.0003204800000000, -0.0041776400000000 ] - [ -0.0032569100000000, -0.0002202200000000, -0.0015169900000000 ] - [ -0.0051628200000000, -0.0038845400000000, -0.0054199400000000 ] - [ 0.0000184300000000, -0.0002497800000000, -0.0000814200000000 ] - [ 0.0000581700000000, 0.0020571100000000, -0.0000274000000000 ] - [ -0.0007521100000000, 0.0001583000000000, -0.0002785100000000 ] - [ 0.0023277700000000, -0.0040524200000000, 0.0024345500000000 ] - [ -0.0008444100000000, -0.0006441300000000, 0.0000234100000000 ] - [ -0.0004477300000000, -0.0122161600000000, -0.0013762500000000 ] - [ -0.0006944000000000, -0.0006936300000000, 0.0001132200000000 ] - [ -0.0041516400000000, -0.0009478900000000, 0.0077394200000000 ] - [ -0.0010454700000000, -0.0001417400000000, -0.0002138600000000 ] - [ 0.0005808500000000, -0.0021844200000000, -0.0005028600000000 ] - [ -0.0010119100000000, -0.0006048500000000, 0.0000214700000000 ] - [ 0.0064194100000000, 0.0212350100000000, -0.0001998700000000 ] - [ -0.0020495400000000, 0.0003413900000000, 0.0000103400000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005194400000000, -0.0001155800000000, -0.0002883900000000 ] - [ -0.0005045700000000, -0.0012592100000000, 0.0011301500000000 ] - [ -0.0004627500000000, -0.0009920700000000, 0.0005295300000000 ] - [ -0.0009887600000000, -0.0009771200000000, 0.0003954600000000 ] - [ -0.0000306000000000, 0.0040031800000000, 0.0006382400000000 ] - [ -0.0006978400000000, 0.0005858800000000, 0.0000188600000000 ] - [ -0.0002969500000000, 0.0014517400000000, -0.0025896300000000 ] - [ -0.0004378600000000, 0.0002181000000000, -0.0001422200000000 ] - [ 0.0144042100000000, -0.0219275300000000, -0.0107859800000000 ] - [ -0.0015387600000000, -0.0004005700000000, 0.0002735500000000 ] - [ 0.0128247700000000, -0.0181736900000000, -0.0077310100000000 ] - [ -0.0016822300000000, -0.0005223000000000, 0.0001613800000000 ] - [ -0.0010174600000000, 0.0003739600000000, -0.0000878800000000 ] - [ 0.0012561200000000, 0.0043882000000000, -0.0065055500000000 ] - [ -0.0025555300000000, 0.0011927700000000, 0.0013060000000000 ] - [ 0.0042912400000000, 0.0037063800000000, -0.0004731900000000 ] - [ 0.0039438800000000, 0.0038065000000000, 0.0002166000000000 ] - [ -0.0025433900000000, 0.0014569800000000, 0.0011732500000000 ] - [ -0.0013584600000000, -0.0022201700000000, 0.0010052000000000 ] - [ -0.0004307200000000, -0.0004606200000000, -0.0001219500000000 ] - [ 0.0430966600000000, 0.2237062300000000, -0.0034363700000000 ] - [ -0.0028493800000000, -0.0003710000000000, 0.0010600800000000 ] - [ 0.0077810400000000, -0.0112870900000000, 0.0470659800000000 ] - [ -0.0021235700000000, -0.0000044300000000, 0.0000221300000000 ] - [ 0.0038296100000000, -0.0075503300000000, -0.0014042400000000 ] - [ -0.0025641700000000, -0.0010340700000000, 0.0005939300000000 ] - [ -0.0024407500000000, 0.0018212800000000, 0.0004404000000000 ] - [ 0.0120687700000000, 0.0202420600000000, 0.0044456500000000 ] - [ -0.0015240900000000, -0.0001327300000000, 0.0005730100000000 ] - [ -0.0754851700000000, -0.0168951700000000, 0.0092789400000000 ] - [ -0.0023848700000000, -0.0002180100000000, 0.0010532200000000 ] - [ 0.0046546900000000, -0.0146210200000000, -0.0065690400000000 ] - [ -0.0051757000000000, 0.0008269600000000, -0.0040358600000000 ] - [ 0.0024913200000000, -0.0000609600000000, -0.0002309200000000 ] - [ -0.0006185000000000, 0.0029015500000000, -0.0009328900000000 ] - [ -0.0003030700000000, 0.0023952800000000, -0.0008039000000000 ] - [ 0.0036898000000000, 0.0007316800000000, 0.0003747900000000 ] - [ -0.0058427800000000, -0.0000414700000000, -0.0072763500000000 ] - [ -0.0606067800000000, -0.0164565500000000, -0.0038079000000000 ] - [ -0.0019888100000000, -0.0004923500000000, -0.0003460300000000 ] - [ 0.0027161500000000, -0.0117062800000000, -0.0027362200000000 ] - [ -0.0019976600000000, -0.0010283100000000, 0.0003808300000000 ] - [ 0.0013153400000000, 0.0011236400000000, -0.0009789400000000 ] - [ -0.0028122400000000, -0.0007824500000000, -0.0012641500000000 ] - [ -0.0012784700000000, 0.0012718800000000, 0.0010302500000000 ] - [ 0.0019331500000000, 0.0004884000000000, 0.0000241900000000 ] - [ 0.0126832500000000, -0.0155493500000000, -0.0055670200000000 ] - [ 0.0013212700000000, 0.0001902400000000, -0.0001287700000000 ] - [ -0.0017633200000000, 0.0055493900000000, 0.0008856300000000 ] - [ 0.0013181600000000, 0.0001766800000000, -0.0002256500000000 ] - [ -0.0001926000000000, 0.0057544300000000, -0.0073207200000000 ] - [ 0.0004013900000000, 0.0002236200000000, -0.0000945500000000 ] - [ -0.0013260900000000, -0.0249038300000000, 0.0063412900000000 ] - [ 0.0007592000000000, 0.0001171100000000, -0.0001800500000000 ] - [ 0.0148981000000000, -0.0922755600000000, -0.0052466800000000 ] - [ 0.0014368500000000, -0.0000201800000000, -0.0003300000000000 ] - [ -0.0023625000000000, 0.0092001300000000, 0.0008954000000000 ] - [ 0.0012438800000000, 0.0002784300000000, -0.0001170600000000 ] - [ -0.0074824300000000, -0.0193355100000000, -0.0062859600000000 ] - [ 0.0017827200000000, -0.0000742100000000, -0.0007684400000000 ] - [ 0.0015128700000000, 0.0001024600000000, -0.0004071400000000 ] - [ -0.0033375500000000, 0.0016240200000000, 0.0016059900000000 ] - [ 0.0014676500000000, -0.0004292400000000, -0.0003352400000000 ] - [ 0.0056655200000000, -0.0223767800000000, -0.0029726100000000 ] - [ 0.0016278200000000, 0.0001756200000000, -0.0004385500000000 ] - [ -0.0080274900000000, 0.0069744700000000, -0.0033226000000000 ] - [ 0.0007671400000000, 0.0005472100000000, -0.0003892600000000 ] - [ 0.0021029100000000, 0.0143384000000000, 0.0029232000000000 ] - [ 0.0004140700000000, -0.0004784300000000, -0.0004394400000000 ] - [ 0.0028871000000000, -0.0098084900000000, -0.0129016200000000 ] - [ 0.0011319000000000, -0.0005534000000000, 0.0001845600000000 ] - [ -0.0008163900000000, -0.0013069600000000, -0.0011954500000000 ] - [ 0.0000363300000000, 0.0000830000000000, -0.0001276700000000 ] - [ 0.0067134500000000, 0.0043930600000000, 0.0077188700000000 ] - [ 0.0030180200000000, -0.0013087900000000, 0.0002549600000000 ] - [ -0.0055718200000000, -0.0030889400000000, 0.0021014300000000 ] - [ 0.0013184700000000, 0.0012550400000000, -0.0002192400000000 ] - [ -0.0005325700000000, 0.0028476500000000, 0.0014010600000000 ] - [ 0.0013107600000000, -0.0013495700000000, 0.0009489500000000 ] - [ -0.0000798500000000, -0.0025595400000000, -0.0010609500000000 ] - [ 0.0003294200000000, -0.0004828000000000, -0.0005849500000000 ] - [ 0.0103583400000000, -0.0010220300000000, 0.0047329800000000 ] - [ 0.0004543500000000, -0.0018473100000000, -0.0003250800000000 ] - [ 0.0002891700000000, -0.0018117600000000, 0.0012758400000000 ] - [ 0.0008214400000000, -0.0014306500000000, 0.0010522200000000 ] - [ -0.0000772000000000, -0.0011157300000000, 0.0003288400000000 ] - [ 0.0003380100000000, 0.0018019100000000, 0.0009463800000000 ] - [ 0.0007943400000000, 0.0009450600000000, -0.0003375700000000 ] - [ -0.0010333700000000, -0.0009725600000000, 0.0007488100000000 ] - [ 0.0013834800000000, -0.0006956100000000, 0.0016740500000000 ] - [ 0.0104635800000000, 0.0003109800000000, 0.0022472100000000 ] - [ 0.0007933200000000, -0.0001101200000000, -0.0000467200000000 ] - [ -0.0062064800000000, -0.0001607300000000, 0.0040175800000000 ] - [ 0.0031547200000000, 0.0003721700000000, 0.0013769500000000 ] - [ 0.0054355700000000, 0.0038323600000000, 0.0053705800000000 ] - [ 0.0002209200000000, 0.0002253600000000, 0.0000222100000000 ] - [ 0.0000250100000000, -0.0023235700000000, -0.0001071400000000 ] - [ 0.0008775500000000, -0.0004282500000000, 0.0001497600000000 ] - [ -0.0023815900000000, 0.0040847700000000, -0.0024239800000000 ] - [ 0.0007722200000000, 0.0006674100000000, -0.0000476800000000 ] - [ 0.0006826000000000, 0.0121333900000000, 0.0013334900000000 ] - [ 0.0008857600000000, 0.0006578700000000, -0.0001550200000000 ] - [ 0.0043468600000000, 0.0008322900000000, -0.0078623200000000 ] - [ 0.0011902000000000, 0.0000628200000000, 0.0001391500000000 ] - [ -0.0006224900000000, 0.0020199700000000, 0.0006885900000000 ] - [ 0.0009775300000000, 0.0004333300000000, 0.0001539400000000 ] - [ -0.0058302900000000, -0.0210596300000000, 0.0000043000000000 ] - [ 0.0019954300000000, -0.0002926600000000, -0.0002021100000000 ]- atom: 21 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ -0.0005854200000000, 0.0002413800000000, 0.0000620000000000 ] - [ 0.0001532200000000, -0.0009925600000000, 0.0016340500000000 ] - [ -0.0004359200000000, -0.0001254300000000, -0.0000172100000000 ] - [ 0.0003562800000000, 0.0002430000000000, -0.0008428400000000 ] - [ -0.0124972300000000, 0.0008571500000000, 0.0046250400000000 ] - [ -0.0004392400000000, 0.0001359400000000, 0.0001295600000000 ] - [ 0.0068654300000000, 0.0068727700000000, 0.0106329800000000 ] - [ -0.0007631200000000, 0.0001744200000000, 0.0000175900000000 ] - [ -0.0021728400000000, 0.0045852200000000, -0.0015350200000000 ] - [ -0.0006904900000000, 0.0001534600000000, -0.0001914700000000 ] - [ 0.0027205600000000, 0.0065369300000000, -0.0048446700000000 ] - [ -0.0013502100000000, -0.0001230700000000, -0.0000615400000000 ] - [ -0.0012114900000000, 0.0000590700000000, 0.0001558700000000 ] - [ 0.0119051500000000, 0.0082313200000000, 0.0178701900000000 ] - [ -0.0017908000000000, 0.0001193200000000, -0.0000212200000000 ] - [ 0.0062755100000000, 0.0012967900000000, -0.0043494200000000 ] - [ 0.0037083800000000, -0.0005344800000000, -0.0023177400000000 ] - [ -0.0019555300000000, -0.0010485200000000, -0.0017371400000000 ] - [ -0.0022563500000000, -0.0009605800000000, 0.0016365100000000 ] - [ 0.0003404300000000, 0.0009481000000000, 0.0012218000000000 ] - [ 0.0333351400000000, 0.0036633200000000, -0.1909018200000000 ] - [ -0.0026777500000000, -0.0010481200000000, 0.0005197400000000 ] - [ 0.0020511300000000, -0.0671885900000000, 0.0168510500000000 ] - [ -0.0021858500000000, 0.0001622800000000, -0.0000334600000000 ] - [ 0.0012312900000000, -0.0056604200000000, 0.0058990400000000 ] - [ -0.0027645300000000, -0.0005368500000000, 0.0012600200000000 ] - [ -0.0019555400000000, 0.0002335300000000, 0.0008231200000000 ] - [ -0.0873549600000000, -0.0073462800000000, 0.0217605200000000 ] - [ -0.0023523800000000, -0.0003163500000000, -0.0004322100000000 ] - [ 0.0104447300000000, -0.0081666000000000, -0.0218388300000000 ] - [ -0.0033358000000000, 0.0010934000000000, 0.0009780300000000 ] - [ 0.0082926200000000, -0.0066023700000000, -0.0019808300000000 ] - [ -0.0004313200000000, 0.0001310300000000, -0.0006463600000000 ] - [ -0.0085005900000000, 0.0059082200000000, -0.0005976500000000 ] - [ -0.0014799900000000, -0.0000849200000000, 0.0017966000000000 ] - [ -0.0056625500000000, -0.0016523800000000, 0.0076265400000000 ] - [ -0.0051498100000000, 0.0008691600000000, -0.0007521100000000 ] - [ 0.0044151300000000, -0.0034245800000000, 0.0009007300000000 ] - [ -0.0039188900000000, -0.0026587200000000, -0.0164611800000000 ] - [ -0.0027772500000000, -0.0003880400000000, -0.0024150800000000 ] - [ -0.0001373800000000, -0.0017539500000000, -0.0008936800000000 ] - [ -0.0032511500000000, 0.0007933700000000, 0.0003188900000000 ] - [ -0.0002929200000000, -0.0015861700000000, 0.0075461400000000 ] - [ -0.0022410800000000, -0.0020744200000000, 0.0010123900000000 ] - [ 0.0006787200000000, 0.0008241300000000, -0.0050297900000000 ] - [ 0.0017539500000000, 0.0003680600000000, -0.0003466600000000 ] - [ -0.0011375100000000, -0.0064265700000000, 0.0231195900000000 ] - [ 0.0015034600000000, 0.0003450300000000, 0.0002056400000000 ] - [ -0.0008804600000000, -0.0004288900000000, -0.0024206600000000 ] - [ 0.0016531500000000, -0.0000557600000000, -0.0006250800000000 ] - [ 0.0002502400000000, 0.0052991700000000, -0.0140101100000000 ] - [ 0.0004917000000000, 0.0000316300000000, -0.0002562800000000 ] - [ -0.0021674000000000, 0.0245775800000000, 0.0124832100000000 ] - [ 0.0007532500000000, 0.0003161400000000, -0.0000763900000000 ] - [ -0.0069464600000000, 0.0081975400000000, 0.0179936900000000 ] - [ 0.0014531300000000, 0.0004024700000000, -0.0000856800000000 ] - [ -0.0029532600000000, 0.0079468700000000, -0.0003832800000000 ] - [ 0.0013618700000000, -0.0000761500000000, -0.0002261200000000 ] - [ 0.0269679600000000, 0.0045173700000000, 0.0771593200000000 ] - [ 0.0016375000000000, 0.0001454700000000, -0.0004872600000000 ] - [ 0.0017374600000000, -0.0000784200000000, -0.0007694100000000 ] - [ -0.0028181600000000, 0.0010070000000000, -0.0018021200000000 ] - [ 0.0012877500000000, 0.0001602400000000, -0.0001117900000000 ] - [ 0.0021626200000000, 0.0026487000000000, 0.0247130700000000 ] - [ 0.0014986600000000, -0.0003510100000000, -0.0000903500000000 ] - [ -0.0104559900000000, 0.0079919400000000, 0.0016698200000000 ] - [ 0.0006978200000000, 0.0000027100000000, 0.0000345900000000 ] - [ -0.0016823200000000, 0.0033433000000000, 0.0039366900000000 ] - [ 0.0004815100000000, -0.0000047600000000, -0.0000138900000000 ] - [ 0.0025400800000000, 0.0135514700000000, 0.0122793300000000 ] - [ 0.0013907400000000, -0.0001759100000000, -0.0005938600000000 ] - [ 0.0038657500000000, 0.0012512400000000, -0.0163499000000000 ] - [ 0.0018037600000000, -0.0003501200000000, 0.0001398100000000 ] - [ -0.0059255800000000, 0.0001623300000000, 0.0025155100000000 ] - [ 0.0011092500000000, -0.0003214000000000, 0.0000264500000000 ] - [ 0.0095204400000000, -0.0112009100000000, 0.0018625200000000 ] - [ 0.0025085800000000, -0.0002860400000000, 0.0000078100000000 ] - [ -0.0040869900000000, 0.0015424900000000, 0.0001917400000000 ] - [ 0.0006291100000000, -0.0002621600000000, -0.0003759600000000 ] - [ 0.0105481700000000, -0.0012539400000000, -0.0020326100000000 ] - [ 0.0015065700000000, -0.0002269700000000, 0.0008966200000000 ] - [ -0.0005202400000000, 0.0013348500000000, 0.0024354500000000 ] - [ 0.0013153500000000, -0.0001666300000000, -0.0008526900000000 ] - [ -0.0005719600000000, 0.0009698700000000, -0.0026323400000000 ] - [ 0.0006447700000000, -0.0001958900000000, -0.0006707100000000 ] - [ 0.0006907400000000, -0.0013010700000000, -0.0024545600000000 ] - [ -0.0000399600000000, -0.0001434500000000, 0.0001721400000000 ] - [ 0.0019164800000000, -0.0025646800000000, 0.0001353500000000 ] - [ 0.0006045100000000, 0.0001197100000000, -0.0007525400000000 ] - [ 0.0006036300000000, 0.0019306100000000, -0.0018454700000000 ] - [ 0.0023489600000000, 0.0002622100000000, 0.0017956000000000 ] - [ 0.0013219100000000, -0.0005118300000000, 0.0027474500000000 ] - [ 0.0049978100000000, -0.0019418700000000, -0.0022329400000000 ] - [ -0.0006311500000000, 0.0004760500000000, -0.0008310100000000 ] - [ -0.0018016700000000, -0.0018079500000000, 0.0038484300000000 ] - [ 0.0028117300000000, -0.0007654300000000, 0.0013231100000000 ] - [ 0.0001389400000000, 0.0000289000000000, -0.0050711100000000 ] - [ 0.0025728400000000, 0.0014781800000000, -0.0009032500000000 ] - [ -0.0016779200000000, 0.0035445900000000, -0.0020675800000000 ] - [ 0.0007505300000000, 0.0002049400000000, -0.0002439900000000 ] - [ 0.0007815000000000, 0.0012471000000000, 0.0027289000000000 ] - [ 0.0006194400000000, -0.0003053500000000, 0.0007563900000000 ] - [ 0.0073346400000000, 0.0047353900000000, 0.0051576300000000 ] - [ 0.0011257900000000, -0.0001818200000000, 0.0006046000000000 ] - [ 0.0006696400000000, 0.0009555800000000, -0.0015237200000000 ] - [ 0.0009259000000000, 0.0001094100000000, -0.0005663800000000 ] - [ -0.0009906000000000, -0.0001516800000000, 0.0150394800000000 ] - [ 0.0018427100000000, 0.0004705700000000, 0.0003486100000000 ]- atom: 21 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ 0.0003103400000000, 0.0000774200000000, -0.0000682500000000 ] - [ -0.0004279700000000, 0.0013077000000000, -0.0016363600000000 ] - [ 0.0006344500000000, 0.0003857400000000, 0.0002409000000000 ] - [ -0.0001682900000000, 0.0000124300000000, 0.0010680900000000 ] - [ 0.0120981300000000, -0.0006020900000000, -0.0048552500000000 ] - [ 0.0002456900000000, 0.0001237500000000, -0.0003572900000000 ] - [ -0.0066591500000000, -0.0066135500000000, -0.0106933300000000 ] - [ 0.0010392200000000, 0.0001437100000000, -0.0000068200000000 ] - [ 0.0023914600000000, -0.0046419500000000, 0.0014162400000000 ] - [ 0.0008708800000000, -0.0001327800000000, 0.0001891700000000 ] - [ -0.0028999600000000, -0.0066279600000000, 0.0049791300000000 ] - [ 0.0011705000000000, 0.0000726700000000, 0.0001607600000000 ] - [ 0.0013924100000000, -0.0001074300000000, -0.0002562600000000 ] - [ -0.0115785500000000, -0.0081130300000000, -0.0177973200000000 ] - [ 0.0016162700000000, -0.0000964300000000, 0.0000127400000000 ] - [ -0.0064409700000000, -0.0012784200000000, 0.0043150400000000 ] - [ -0.0036814500000000, 0.0005228500000000, 0.0024687700000000 ] - [ 0.0019236900000000, 0.0010925600000000, 0.0018446600000000 ] - [ 0.0022743200000000, 0.0009896300000000, -0.0017309900000000 ] - [ -0.0003079400000000, -0.0009168800000000, -0.0013175100000000 ] - [ -0.0346035000000000, -0.0021509600000000, 0.1964135800000000 ] - [ 0.0029498500000000, 0.0011304000000000, -0.0005458200000000 ] - [ -0.0020319600000000, 0.0661973800000000, -0.0168200400000000 ] - [ 0.0022192100000000, -0.0003527200000000, -0.0000704900000000 ] - [ -0.0017411700000000, 0.0055161700000000, -0.0059160200000000 ] - [ 0.0022585100000000, 0.0003953500000000, -0.0013426500000000 ] - [ 0.0024716400000000, -0.0003799100000000, -0.0007378800000000 ] - [ 0.0886026900000000, 0.0072697900000000, -0.0219228500000000 ] - [ 0.0023303300000000, 0.0001231800000000, 0.0005345300000000 ] - [ -0.0109314700000000, 0.0078759100000000, 0.0219662200000000 ] - [ 0.0030641100000000, -0.0010077700000000, -0.0009547200000000 ] - [ -0.0085123400000000, 0.0066176000000000, 0.0019470500000000 ] - [ 0.0004765300000000, -0.0002136700000000, 0.0008834300000000 ] - [ 0.0085396900000000, -0.0060157700000000, 0.0008189600000000 ] - [ 0.0015311800000000, 0.0000640800000000, -0.0020376400000000 ] - [ 0.0057809200000000, 0.0016495900000000, -0.0078883000000000 ] - [ 0.0054136500000000, -0.0008143700000000, 0.0005533900000000 ] - [ -0.0041339000000000, 0.0034818600000000, -0.0011043100000000 ] - [ 0.0037228600000000, 0.0030113800000000, 0.0165514000000000 ] - [ 0.0025047800000000, 0.0004443000000000, 0.0025862700000000 ] - [ 0.0000422800000000, 0.0017737900000000, 0.0012182600000000 ] - [ 0.0031520800000000, -0.0008041500000000, -0.0000558100000000 ] - [ 0.0001883300000000, 0.0015309900000000, -0.0077462700000000 ] - [ 0.0022090900000000, 0.0019844300000000, -0.0012271000000000 ] - [ -0.0004812700000000, -0.0010354900000000, 0.0050880400000000 ] - [ -0.0015922000000000, -0.0005286200000000, 0.0004336600000000 ] - [ 0.0013565600000000, 0.0068727000000000, -0.0234479800000000 ] - [ -0.0013850100000000, -0.0003022600000000, -0.0002893300000000 ] - [ 0.0007501300000000, 0.0002154500000000, 0.0023285000000000 ] - [ -0.0017894700000000, -0.0001645900000000, 0.0005930500000000 ] - [ -0.0003746900000000, -0.0052792200000000, 0.0141987700000000 ] - [ -0.0006136800000000, -0.0000505800000000, 0.0004226400000000 ] - [ 0.0023111300000000, -0.0243936600000000, -0.0095788300000000 ] - [ -0.0006494500000000, 0.0000070500000000, 0.0000962600000000 ] - [ 0.0072460200000000, -0.0085540200000000, -0.0184825400000000 ] - [ -0.0013331600000000, -0.0004154000000000, -0.0000194100000000 ] - [ 0.0030644700000000, -0.0077151700000000, 0.0005408200000000 ] - [ -0.0012347200000000, 0.0002045600000000, 0.0003708700000000 ] - [ -0.0261183000000000, -0.0052213000000000, -0.0847133900000000 ] - [ -0.0016575900000000, -0.0001288900000000, 0.0003387400000000 ] - [ -0.0017172500000000, 0.0000957900000000, 0.0009168600000000 ] - [ 0.0028257400000000, -0.0009864000000000, 0.0019523300000000 ] - [ -0.0014174200000000, -0.0000316200000000, -0.0000321800000000 ] - [ -0.0029220000000000, -0.0026021100000000, -0.0250013800000000 ] - [ -0.0016227200000000, 0.0003350900000000, 0.0001991800000000 ] - [ 0.0102655700000000, -0.0079121000000000, -0.0015329200000000 ] - [ -0.0008040800000000, 0.0003241100000000, -0.0000486300000000 ] - [ 0.0016071200000000, -0.0029515400000000, -0.0038997500000000 ] - [ -0.0003605600000000, -0.0000155700000000, -0.0001556900000000 ] - [ -0.0024024800000000, -0.0136297800000000, -0.0125595200000000 ] - [ -0.0012490700000000, -0.0000447600000000, 0.0006173200000000 ] - [ -0.0037627000000000, -0.0014702200000000, 0.0162707700000000 ] - [ -0.0019195800000000, 0.0003952500000000, -0.0000501800000000 ] - [ 0.0058081700000000, -0.0001161300000000, -0.0023606400000000 ] - [ -0.0012844400000000, 0.0001635400000000, -0.0001145700000000 ] - [ -0.0097283000000000, 0.0110337000000000, -0.0019607400000000 ] - [ -0.0024380700000000, 0.0003290600000000, 0.0001881500000000 ] - [ 0.0041398100000000, -0.0014891300000000, 0.0000084500000000 ] - [ -0.0006075000000000, 0.0000863700000000, 0.0001647900000000 ] - [ -0.0105333700000000, 0.0010820200000000, 0.0018425900000000 ] - [ -0.0016576800000000, 0.0001579400000000, -0.0008006700000000 ] - [ 0.0004490000000000, -0.0014289300000000, -0.0023278700000000 ] - [ -0.0014969800000000, 0.0001350600000000, 0.0009128300000000 ] - [ 0.0003787900000000, -0.0010120300000000, 0.0026870600000000 ] - [ -0.0005601300000000, 0.0002240200000000, 0.0006781200000000 ] - [ -0.0006139600000000, 0.0013270900000000, 0.0024705700000000 ] - [ -0.0000635500000000, -0.0001529600000000, -0.0000523900000000 ] - [ -0.0020184800000000, 0.0022816100000000, -0.0000116000000000 ] - [ -0.0008099400000000, -0.0001449100000000, 0.0008251700000000 ] - [ -0.0008264000000000, -0.0019610300000000, 0.0019174800000000 ] - [ -0.0022683900000000, -0.0001190300000000, -0.0016577200000000 ] - [ -0.0012183900000000, 0.0006606400000000, -0.0026072900000000 ] - [ -0.0050807200000000, 0.0020671000000000, 0.0021336500000000 ] - [ 0.0005260900000000, -0.0003296700000000, 0.0007014100000000 ] - [ 0.0020417800000000, 0.0017618600000000, -0.0039741400000000 ] - [ -0.0025913600000000, 0.0007447800000000, -0.0013921200000000 ] - [ 0.0000267400000000, -0.0003273000000000, 0.0049343200000000 ] - [ -0.0024758900000000, -0.0017640800000000, 0.0007769400000000 ] - [ 0.0016216700000000, -0.0035613600000000, 0.0020002000000000 ] - [ -0.0008277600000000, -0.0001855700000000, 0.0002154900000000 ] - [ -0.0006048500000000, -0.0012935300000000, -0.0027879400000000 ] - [ -0.0004319600000000, 0.0002727500000000, -0.0008044700000000 ] - [ -0.0071149700000000, -0.0048001900000000, -0.0051192000000000 ] - [ -0.0009922300000000, 0.0001037800000000, -0.0006823700000000 ] - [ -0.0006977000000000, -0.0011394100000000, 0.0016822700000000 ] - [ -0.0009672300000000, -0.0002859200000000, 0.0007442100000000 ] - [ 0.0015048000000000, 0.0001661000000000, -0.0153224900000000 ] - [ -0.0019124400000000, -0.0004277400000000, -0.0005428500000000 ]- atom: 23 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ 0.0010430200000000, 0.0002645000000000, 0.0002026300000000 ] - [ 0.0002944200000000, -0.0000858500000000, 0.0007079400000000 ] - [ 0.0017463600000000, 0.0015678700000000, 0.0003528700000000 ] - [ 0.0016767000000000, -0.0001682600000000, -0.0013888000000000 ] - [ 0.0031946800000000, -0.0134117500000000, 0.0000997100000000 ] - [ 0.0015290900000000, -0.0003533900000000, -0.0006257700000000 ] - [ -0.0027946700000000, -0.0014595900000000, -0.0024326100000000 ] - [ 0.0017636600000000, 0.0002509700000000, 0.0002695800000000 ] - [ -0.0077323100000000, 0.0044653500000000, -0.0008524500000000 ] - [ 0.0033976700000000, 0.0000815000000000, -0.0005066100000000 ] - [ -0.0077936100000000, 0.0004434500000000, -0.0055386600000000 ] - [ 0.0032000600000000, 0.0004966800000000, -0.0000411000000000 ] - [ 0.0032152400000000, -0.0005527800000000, -0.0001844800000000 ] - [ -0.0061717900000000, 0.0036233700000000, 0.0021022500000000 ] - [ 0.0053984600000000, -0.0014749700000000, 0.0000858800000000 ] - [ 0.0126082500000000, 0.0108445900000000, -0.0104184300000000 ] - [ 0.0006436600000000, -0.0010829400000000, 0.0003328800000000 ] - [ 0.0020443000000000, -0.0003292100000000, -0.0001104300000000 ] - [ 0.0127252000000000, 0.0103985700000000, -0.0104927100000000 ] - [ 0.0053976400000000, 0.0001470800000000, 0.0015527700000000 ] - [ -0.0229512900000000, -0.0077162100000000, 0.0020119900000000 ] - [ 0.0069446000000000, 0.0021743500000000, -0.0021810300000000 ] - [ -0.1775048600000000, 0.0213242400000000, -0.0024848800000000 ] - [ 0.0065122300000000, -0.0005592500000000, 0.0001779900000000 ] - [ -0.0278918300000000, 0.0050439200000000, 0.0100908500000000 ] - [ 0.0062267700000000, 0.0013905700000000, -0.0022977900000000 ] - [ 0.0062839700000000, -0.0021108200000000, -0.0019931800000000 ] - [ -0.0069636800000000, -0.0006467200000000, 0.0028781300000000 ] - [ 0.0048598900000000, 0.0003234300000000, 0.0001976000000000 ] - [ -0.0061993700000000, -0.0061286600000000, -0.0045241400000000 ] - [ 0.0083056400000000, -0.0014630300000000, -0.0022598400000000 ] - [ 0.0078195600000000, -0.0760634800000000, 0.0108278000000000 ] - [ 0.0063765800000000, -0.0005011300000000, 0.0021123600000000 ] - [ 0.0016384100000000, -0.0011394800000000, 0.0013036700000000 ] - [ 0.0047852300000000, -0.0046368700000000, -0.0023692500000000 ] - [ 0.0043796900000000, 0.0020830900000000, 0.0046347400000000 ] - [ 0.0022790400000000, -0.0010604100000000, 0.0008188800000000 ] - [ 0.0064867300000000, -0.0032023500000000, 0.0005776000000000 ] - [ 0.0020105400000000, -0.0019365400000000, 0.0683662700000000 ] - [ 0.0084306500000000, 0.0018492400000000, 0.0015640700000000 ] - [ -0.0072448900000000, 0.0058112700000000, 0.0054060800000000 ] - [ 0.0052435600000000, -0.0003762900000000, -0.0003304700000000 ] - [ -0.0069802400000000, -0.0028166700000000, 0.0005276000000000 ] - [ 0.0061092900000000, 0.0020214400000000, 0.0016250700000000 ] - [ 0.0080920500000000, 0.0019241000000000, -0.0017589900000000 ] - [ -0.0041918400000000, -0.0011088600000000, 0.0004301100000000 ] - [ 0.0267064300000000, 0.0024630000000000, 0.0037577700000000 ] - [ -0.0037866700000000, -0.0007958100000000, -0.0000456100000000 ] - [ 0.0078953800000000, -0.0003192500000000, -0.0040955700000000 ] - [ -0.0037028800000000, -0.0004800500000000, 0.0008477600000000 ] - [ 0.0179945900000000, -0.0029161000000000, -0.0121533900000000 ] - [ -0.0013977500000000, -0.0002178900000000, 0.0004666000000000 ] - [ 0.0173394300000000, 0.0037722500000000, -0.0001898200000000 ] - [ -0.0018437100000000, -0.0001647000000000, 0.0003273500000000 ] - [ 0.0075725700000000, 0.0035086100000000, 0.0001698600000000 ] - [ -0.0033655000000000, -0.0005920200000000, 0.0003467900000000 ] - [ 0.0268009800000000, 0.0004491100000000, -0.0029707100000000 ] - [ -0.0034891300000000, 0.0000993000000000, 0.0005895500000000 ] - [ 0.0075274300000000, 0.0011801800000000, -0.0026496400000000 ] - [ -0.0041171500000000, -0.0001387800000000, 0.0014255600000000 ] - [ -0.0043154100000000, 0.0000689800000000, 0.0018655200000000 ] - [ 0.0152679100000000, 0.0027579000000000, -0.0141424500000000 ] - [ -0.0034223300000000, 0.0002583400000000, 0.0003402000000000 ] - [ 0.0068331100000000, -0.0010531900000000, 0.0029203000000000 ] - [ -0.0045022200000000, 0.0005536700000000, 0.0005848100000000 ] - [ 0.0495628600000000, 0.0232562700000000, -0.0022634700000000 ] - [ -0.0019154300000000, 0.0000959600000000, 0.0001351600000000 ] - [ 0.0019449700000000, 0.0086426800000000, 0.0078777300000000 ] - [ -0.0009839400000000, 0.0004233300000000, 0.0003378900000000 ] - [ 0.0007085500000000, 0.0009323500000000, 0.0015525800000000 ] - [ -0.0033313600000000, 0.0005033500000000, 0.0009167900000000 ] - [ 0.0004495600000000, -0.0017222900000000, -0.0044516800000000 ] - [ -0.0028994300000000, 0.0003086100000000, 0.0000100100000000 ] - [ -0.0001472700000000, 0.0092150700000000, 0.0016828600000000 ] - [ -0.0046453500000000, 0.0011363500000000, 0.0001302200000000 ] - [ 0.0014526300000000, -0.0004683000000000, 0.0002672600000000 ] - [ -0.0068406100000000, -0.0028648300000000, 0.0003532900000000 ] - [ -0.0068330400000000, 0.0061375800000000, -0.0002783200000000 ] - [ -0.0023049800000000, 0.0013603700000000, 0.0001841300000000 ] - [ 0.0002368000000000, -0.0002423800000000, -0.0014086400000000 ] - [ -0.0024358400000000, 0.0000825100000000, -0.0006327000000000 ] - [ -0.0005375700000000, 0.0006358200000000, 0.0019754000000000 ] - [ -0.0028624400000000, 0.0036551500000000, 0.0009644200000000 ] - [ -0.0037026800000000, -0.0021294100000000, -0.0021906400000000 ] - [ -0.0033794500000000, 0.0026236900000000, 0.0025926100000000 ] - [ -0.0019916700000000, -0.0006870400000000, -0.0033274900000000 ] - [ -0.0002506400000000, -0.0019590300000000, -0.0005564700000000 ] - [ -0.0024771300000000, 0.0007269700000000, -0.0000001300000000 ] - [ 0.0001641000000000, 0.0012225400000000, 0.0001596300000000 ] - [ -0.0025743200000000, -0.0001112500000000, -0.0017810600000000 ] - [ -0.0058240100000000, 0.0003240900000000, -0.0058922500000000 ] - [ -0.0068748600000000, -0.0001700400000000, 0.0029952700000000 ] - [ 0.0013593000000000, 0.0004987000000000, 0.0000366900000000 ] - [ -0.0044821500000000, 0.0002119900000000, -0.0006494800000000 ] - [ -0.0001206400000000, -0.0029127200000000, -0.0096713300000000 ] - [ -0.0023655000000000, 0.0001743400000000, -0.0001298000000000 ] - [ -0.0000846800000000, 0.0045739400000000, 0.0021944700000000 ] - [ -0.0029959000000000, -0.0009653300000000, -0.0006264400000000 ] - [ 0.0007065600000000, -0.0015610400000000, -0.0008556700000000 ] - [ -0.0011319500000000, -0.0002478400000000, -0.0004438700000000 ] - [ 0.0024862600000000, -0.0081785100000000, -0.0073823000000000 ] - [ -0.0017552000000000, -0.0000387900000000, 0.0000882500000000 ] - [ 0.0339361700000000, -0.0010918300000000, -0.0211508700000000 ] - [ -0.0042772100000000, -0.0004468600000000, -0.0006187900000000 ] - [ 0.0057710500000000, -0.0034818800000000, 0.0009092300000000 ] - [ -0.0030851500000000, -0.0005391400000000, -0.0001487500000000 ] - [ 0.0104297800000000, 0.0095810700000000, -0.0048721300000000 ] - [ -0.0043357000000000, -0.0010818200000000, 0.0001077900000000 ]- atom: 23 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ -0.0013163700000000, 0.0000597800000000, -0.0002052700000000 ] - [ -0.0005788900000000, 0.0004131200000000, -0.0007132200000000 ] - [ -0.0015523200000000, -0.0013115400000000, -0.0001323200000000 ] - [ -0.0014776100000000, 0.0004218100000000, 0.0016147200000000 ] - [ -0.0033916600000000, 0.0138936700000000, -0.0003392900000000 ] - [ -0.0017229100000000, 0.0006126800000000, 0.0003989300000000 ] - [ 0.0031261500000000, 0.0017555500000000, 0.0023745000000000 ] - [ -0.0014855200000000, 0.0000750500000000, -0.0002646500000000 ] - [ 0.0079312000000000, -0.0044722200000000, 0.0008410800000000 ] - [ -0.0032222800000000, -0.0000599900000000, 0.0005021700000000 ] - [ 0.0075874800000000, -0.0005149500000000, 0.0055796400000000 ] - [ -0.0033826900000000, -0.0005509800000000, 0.0001391400000000 ] - [ -0.0030325200000000, 0.0005023800000000, 0.0000855900000000 ] - [ 0.0062750500000000, -0.0037500600000000, -0.0022285100000000 ] - [ -0.0055837000000000, 0.0015005700000000, -0.0000887100000000 ] - [ -0.0126201000000000, -0.0106837400000000, 0.0102980300000000 ] - [ -0.0006611300000000, 0.0011185400000000, -0.0002354900000000 ] - [ -0.0020748200000000, 0.0003646100000000, 0.0002112500000000 ] - [ -0.0128530600000000, -0.0104970900000000, 0.0105528400000000 ] - [ -0.0053690700000000, -0.0001225900000000, -0.0016533900000000 ] - [ 0.0232361600000000, 0.0077811900000000, -0.0017463700000000 ] - [ -0.0066791500000000, -0.0020889900000000, 0.0021450000000000 ] - [ 0.1764492100000000, -0.0201825100000000, 0.0040960200000000 ] - [ -0.0064838200000000, 0.0003799100000000, -0.0002583300000000 ] - [ 0.0273223700000000, -0.0046366700000000, -0.0102520500000000 ] - [ -0.0067207400000000, -0.0015325900000000, 0.0022240100000000 ] - [ -0.0057925200000000, 0.0019718600000000, 0.0020643200000000 ] - [ 0.0073942000000000, 0.0004905500000000, -0.0027968300000000 ] - [ -0.0048868400000000, -0.0005082500000000, -0.0001139600000000 ] - [ 0.0061371900000000, 0.0059190000000000, 0.0045955800000000 ] - [ -0.0085871600000000, 0.0015459600000000, 0.0022988700000000 ] - [ -0.0078630400000000, 0.0753832300000000, -0.0106708900000000 ] - [ -0.0063554400000000, 0.0003728500000000, -0.0018840100000000 ] - [ -0.0016404700000000, 0.0010273500000000, -0.0010962500000000 ] - [ -0.0046680500000000, 0.0046665500000000, 0.0021255200000000 ] - [ -0.0042846900000000, -0.0020719300000000, -0.0048621300000000 ] - [ -0.0019651200000000, 0.0011096600000000, -0.0009740700000000 ] - [ -0.0062104500000000, 0.0032949800000000, -0.0007495100000000 ] - [ -0.0024690500000000, 0.0020035300000000, -0.0688639700000000 ] - [ -0.0086949700000000, -0.0017963500000000, -0.0013997500000000 ] - [ 0.0072170500000000, -0.0058537900000000, -0.0052090100000000 ] - [ -0.0053522500000000, 0.0003664800000000, 0.0005963400000000 ] - [ 0.0070315500000000, 0.0027257100000000, -0.0007399900000000 ] - [ -0.0061434200000000, -0.0021418100000000, -0.0018302300000000 ] - [ -0.0079868300000000, -0.0021264200000000, 0.0018359200000000 ] - [ 0.0043379900000000, 0.0009631500000000, -0.0003373600000000 ] - [ -0.0264375300000000, -0.0024887100000000, -0.0033164200000000 ] - [ 0.0038863700000000, 0.0008516600000000, -0.0000259200000000 ] - [ -0.0081009600000000, 0.0000859200000000, 0.0041233400000000 ] - [ 0.0035557600000000, 0.0002531900000000, -0.0008910000000000 ] - [ -0.0177627000000000, 0.0027006300000000, 0.0117088500000000 ] - [ 0.0012851500000000, 0.0001849400000000, -0.0003248900000000 ] - [ -0.0174272200000000, -0.0041696900000000, 0.0001762000000000 ] - [ 0.0019504200000000, 0.0004695900000000, -0.0003172800000000 ] - [ -0.0074179200000000, -0.0035107300000000, -0.0002770300000000 ] - [ 0.0034946900000000, 0.0005663100000000, -0.0004571900000000 ] - [ -0.0267191400000000, 0.0002661500000000, 0.0030390100000000 ] - [ 0.0036246200000000, 0.0000356500000000, -0.0004406800000000 ] - [ -0.0075009300000000, -0.0011577400000000, 0.0024986700000000 ] - [ 0.0041182000000000, 0.0001635300000000, -0.0015604100000000 ] - [ 0.0043190800000000, -0.0000416500000000, -0.0017347400000000 ] - [ -0.0151138900000000, -0.0027701800000000, 0.0141712600000000 ] - [ 0.0032905600000000, -0.0001247600000000, -0.0004871700000000 ] - [ -0.0069044600000000, 0.0011665200000000, -0.0030845900000000 ] - [ 0.0043775500000000, -0.0005795500000000, -0.0004732500000000 ] - [ -0.0448235000000000, -0.0238479100000000, 0.0018377800000000 ] - [ 0.0018105400000000, 0.0002154100000000, -0.0001429200000000 ] - [ -0.0020353900000000, -0.0082695400000000, -0.0078712800000000 ] - [ 0.0010973700000000, -0.0004585400000000, -0.0004826100000000 ] - [ -0.0005898700000000, -0.0009626000000000, -0.0016912900000000 ] - [ 0.0034794400000000, -0.0007326100000000, -0.0008717100000000 ] - [ -0.0002544000000000, 0.0014760900000000, 0.0044666600000000 ] - [ 0.0027970000000000, -0.0002492900000000, 0.0000617900000000 ] - [ 0.0000515900000000, -0.0090850700000000, -0.0016078900000000 ] - [ 0.0044988700000000, -0.0012827200000000, -0.0002239600000000 ] - [ -0.0015574500000000, 0.0003190700000000, -0.0003451600000000 ] - [ 0.0069257300000000, 0.0029308000000000, -0.0001603700000000 ] - [ 0.0069420700000000, -0.0061050300000000, 0.0004673200000000 ] - [ 0.0023317500000000, -0.0015500400000000, -0.0003795100000000 ] - [ -0.0001906700000000, 0.0000523800000000, 0.0012082800000000 ] - [ 0.0022888300000000, -0.0001624100000000, 0.0007301200000000 ] - [ 0.0004044600000000, -0.0007177300000000, -0.0018708800000000 ] - [ 0.0026882500000000, -0.0037109900000000, -0.0009142100000000 ] - [ 0.0034933800000000, 0.0020675200000000, 0.0022378400000000 ] - [ 0.0034766800000000, -0.0026032100000000, -0.0026006300000000 ] - [ 0.0020559400000000, 0.0007179400000000, 0.0033359300000000 ] - [ 0.0001494700000000, 0.0017154800000000, 0.0006834100000000 ] - [ 0.0023973500000000, -0.0009830900000000, 0.0001255400000000 ] - [ -0.0003991100000000, -0.0012672500000000, -0.0001193800000000 ] - [ 0.0023663900000000, 0.0000701600000000, 0.0018260400000000 ] - [ 0.0059146800000000, -0.0001759500000000, 0.0060319300000000 ] - [ 0.0069738400000000, 0.0003201900000000, -0.0028388000000000 ] - [ -0.0015260300000000, -0.0003424700000000, -0.0001784700000000 ] - [ 0.0043597600000000, -0.0000672600000000, 0.0005169000000000 ] - [ 0.0003435800000000, 0.0029041600000000, 0.0097205000000000 ] - [ 0.0025810900000000, -0.0002088600000000, 0.0000844700000000 ] - [ 0.0001248000000000, -0.0048696500000000, -0.0023380700000000 ] - [ 0.0030845800000000, 0.0007087400000000, 0.0005010800000000 ] - [ -0.0007843300000000, 0.0015975900000000, 0.0008349900000000 ] - [ 0.0010634500000000, 0.0002841900000000, 0.0004096300000000 ] - [ -0.0023142000000000, 0.0081852000000000, 0.0073984500000000 ] - [ 0.0019454500000000, 0.0000141800000000, -0.0001481700000000 ] - [ -0.0379226400000000, 0.0008686800000000, 0.0205233300000000 ] - [ 0.0044198800000000, 0.0003673300000000, 0.0005227800000000 ] - [ -0.0058858300000000, 0.0032577200000000, -0.0007141600000000 ] - [ 0.0030569900000000, 0.0003539400000000, 0.0003400100000000 ] - [ -0.0105728700000000, -0.0096090200000000, 0.0046740600000000 ] - [ 0.0042784800000000, 0.0011161400000000, -0.0003001000000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000426300000000, 0.0003374400000000, 0.0000019300000000 ] - [ -0.0011535400000000, 0.0016957100000000, -0.0013217500000000 ] - [ 0.0004868800000000, 0.0000406600000000, -0.0000156400000000 ] - [ -0.0005415000000000, 0.0000217500000000, 0.0009056100000000 ] - [ -0.0171403500000000, 0.0046592600000000, 0.0004645400000000 ] - [ -0.0000420100000000, 0.0001803200000000, -0.0001461800000000 ] - [ -0.0003596100000000, -0.0031291000000000, -0.0001848600000000 ] - [ 0.0001584800000000, 0.0000629600000000, -0.0000092800000000 ] - [ 0.0081636800000000, 0.0173217800000000, 0.0097540500000000 ] - [ -0.0003749100000000, 0.0000823500000000, 0.0002003500000000 ] - [ -0.0001794400000000, -0.0048746500000000, 0.0023449400000000 ] - [ -0.0002247900000000, -0.0001150900000000, 0.0000173400000000 ] - [ -0.0001126100000000, 0.0000990600000000, -0.0001043900000000 ] - [ 0.0115962900000000, 0.0243913100000000, 0.0121300400000000 ] - [ -0.0007067000000000, -0.0001252700000000, 0.0002058600000000 ] - [ 0.0053491400000000, -0.0055536800000000, 0.0007246700000000 ] - [ -0.0017488300000000, 0.0022011200000000, -0.0013177300000000 ] - [ 0.0006247300000000, 0.0005345800000000, 0.0003975800000000 ] - [ 0.0063387500000000, -0.0017338300000000, -0.0002357000000000 ] - [ -0.0016147900000000, -0.0011753900000000, -0.0010969300000000 ] - [ 0.0009372800000000, 0.0112270300000000, -0.0668504400000000 ] - [ -0.0002019700000000, -0.0000493400000000, 0.0002420500000000 ] - [ 0.0203771000000000, -0.2434603100000000, 0.0440511200000000 ] - [ -0.0004568300000000, -0.0002358300000000, -0.0000704100000000 ] - [ 0.0073131800000000, 0.0193776700000000, -0.0493103100000000 ] - [ -0.0005980500000000, -0.0001088500000000, 0.0000167400000000 ] - [ -0.0003942300000000, -0.0000155400000000, 0.0003033300000000 ] - [ 0.0076971000000000, -0.0005191000000000, -0.0024645000000000 ] - [ -0.0004268500000000, 0.0001389300000000, 0.0000600500000000 ] - [ 0.0060178000000000, 0.0150855000000000, 0.0037283500000000 ] - [ -0.0001404200000000, 0.0000809900000000, 0.0002311800000000 ] - [ -0.0589411300000000, 0.0168417300000000, 0.0076469700000000 ] - [ 0.0000616200000000, -0.0022284900000000, -0.0007583600000000 ] - [ 0.0014743100000000, -0.0028045000000000, 0.0000478600000000 ] - [ -0.0022489800000000, -0.0003024300000000, 0.0001092400000000 ] - [ 0.0057350800000000, -0.0002874700000000, -0.0024530900000000 ] - [ -0.0002099200000000, 0.0017838400000000, 0.0005488400000000 ] - [ -0.0005783100000000, 0.0066071100000000, 0.0001341800000000 ] - [ -0.0065019900000000, -0.0159817200000000, 0.0013743900000000 ] - [ -0.0006199800000000, -0.0005367700000000, 0.0005802300000000 ] - [ 0.0059511500000000, -0.0006832000000000, -0.0033627400000000 ] - [ -0.0004127300000000, -0.0000001200000000, 0.0001390600000000 ] - [ 0.0034831700000000, 0.0105463400000000, 0.0014649000000000 ] - [ -0.0002636300000000, 0.0009903500000000, -0.0007766900000000 ] - [ -0.0027719000000000, -0.0142341400000000, 0.0005478900000000 ] - [ 0.0002164700000000, -0.0002076600000000, 0.0001061500000000 ] - [ 0.0042112000000000, 0.0202197000000000, 0.0117810800000000 ] - [ 0.0002670900000000, 0.0001544900000000, -0.0001131200000000 ] - [ -0.0045535100000000, 0.0008315900000000, 0.0101574000000000 ] - [ 0.0001320800000000, -0.0000535900000000, -0.0000034200000000 ] - [ 0.0008792700000000, 0.0196760800000000, -0.0161595800000000 ] - [ -0.0000075500000000, 0.0000796800000000, 0.0001020700000000 ] - [ -0.0016881800000000, 0.1065076200000000, 0.0085993500000000 ] - [ 0.0001727300000000, 0.0002533300000000, -0.0000268000000000 ] - [ -0.0033703200000000, -0.0135697100000000, 0.0020628400000000 ] - [ 0.0002918000000000, -0.0000687000000000, -0.0001352800000000 ] - [ 0.0103463500000000, 0.0122009200000000, 0.0091613300000000 ] - [ 0.0002377000000000, 0.0000912600000000, 0.0000525900000000 ] - [ -0.0058369100000000, 0.0025621000000000, 0.0122203100000000 ] - [ 0.0002586700000000, 0.0000441200000000, -0.0002386600000000 ] - [ 0.0000990800000000, -0.0000095900000000, -0.0000335800000000 ] - [ 0.0056910000000000, -0.0016410600000000, 0.0060554300000000 ] - [ 0.0002226400000000, -0.0000105200000000, -0.0000965700000000 ] - [ -0.0081670500000000, -0.0035617500000000, 0.0063372900000000 ] - [ 0.0001973900000000, 0.0001134700000000, -0.0000394900000000 ] - [ -0.0061821600000000, 0.0274610000000000, -0.0018255700000000 ] - [ -0.0000010600000000, 0.0000446800000000, -0.0000446500000000 ] - [ 0.0035255000000000, -0.0070766600000000, -0.0070321500000000 ] - [ 0.0000835700000000, -0.0001839100000000, -0.0000871600000000 ] - [ -0.0006701400000000, -0.0041237600000000, -0.0005578400000000 ] - [ 0.0006236500000000, -0.0002731600000000, -0.0001213100000000 ] - [ -0.0070012100000000, -0.0004709400000000, -0.0026986000000000 ] - [ 0.0000737500000000, -0.0003011700000000, -0.0000230000000000 ] - [ 0.0001753000000000, -0.0107206600000000, -0.0013175700000000 ] - [ 0.0000085300000000, 0.0001698500000000, 0.0000679100000000 ] - [ -0.0015620400000000, 0.0035846200000000, 0.0004541100000000 ] - [ -0.0003343800000000, -0.0003832600000000, -0.0001845200000000 ] - [ 0.0094850500000000, -0.0044808400000000, -0.0010184500000000 ] - [ 0.0008707800000000, 0.0002684900000000, 0.0001672200000000 ] - [ -0.0026288400000000, 0.0007995500000000, 0.0002834900000000 ] - [ 0.0003874900000000, -0.0006599400000000, -0.0000723400000000 ] - [ -0.0011052500000000, -0.0017142900000000, -0.0015832700000000 ] - [ 0.0008034000000000, -0.0004681900000000, -0.0002655000000000 ] - [ -0.0009568000000000, -0.0009906200000000, 0.0009369700000000 ] - [ -0.0002628400000000, 0.0010256500000000, 0.0000212800000000 ] - [ 0.0001240700000000, 0.0017517800000000, 0.0009342200000000 ] - [ -0.0018696000000000, 0.0015082200000000, 0.0004346700000000 ] - [ 0.0004255500000000, 0.0007612500000000, 0.0002203100000000 ] - [ -0.0007278400000000, -0.0010848300000000, -0.0003167000000000 ] - [ -0.0000107300000000, -0.0016785600000000, 0.0009568500000000 ] - [ 0.0016916900000000, 0.0010664700000000, 0.0009240800000000 ] - [ 0.0004681600000000, 0.0008517700000000, -0.0009896300000000 ] - [ 0.0000602300000000, -0.0058156600000000, -0.0010025600000000 ] - [ 0.0009099400000000, -0.0009068700000000, 0.0002889000000000 ] - [ 0.0005935100000000, 0.0033138800000000, 0.0024353300000000 ] - [ -0.0001347800000000, 0.0003058700000000, -0.0003254700000000 ] - [ 0.0035700200000000, -0.0041542000000000, -0.0030168900000000 ] - [ -0.0009581300000000, -0.0009887100000000, 0.0001489000000000 ] - [ -0.0004472700000000, -0.0026956000000000, 0.0008545200000000 ] - [ -0.0001033600000000, -0.0002661500000000, 0.0000516700000000 ] - [ -0.0028644200000000, 0.0037066000000000, -0.0016726800000000 ] - [ 0.0003861300000000, 0.0001720600000000, -0.0003442800000000 ] - [ 0.0061656200000000, 0.0207252600000000, -0.0021789900000000 ] - [ 0.0005746400000000, 0.0003022300000000, -0.0001861700000000 ] - [ -0.0051527600000000, -0.0032356100000000, 0.0043798900000000 ] - [ 0.0004180600000000, -0.0002517800000000, 0.0004348500000000 ] - [ 0.0090794800000000, 0.0051364600000000, 0.0054316300000000 ] - [ 0.0000271700000000, 0.0002048500000000, -0.0002450900000000 ]- atom: 23 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003189300000000, -0.0000115200000000, -0.0000040900000000 ] - [ 0.0008791200000000, -0.0013730500000000, 0.0013204200000000 ] - [ -0.0002916100000000, 0.0002239400000000, 0.0002409500000000 ] - [ 0.0007445900000000, 0.0002428000000000, -0.0006838300000000 ] - [ 0.0167476200000000, -0.0043635000000000, -0.0007173000000000 ] - [ -0.0001536100000000, 0.0000765400000000, -0.0000814000000000 ] - [ 0.0006716300000000, 0.0034103900000000, 0.0001600300000000 ] - [ 0.0001203100000000, 0.0002617800000000, 0.0000152300000000 ] - [ -0.0081404700000000, -0.0175105600000000, -0.0099101500000000 ] - [ 0.0005576900000000, -0.0000592800000000, -0.0002069100000000 ] - [ 0.0000197000000000, 0.0048618100000000, -0.0022671500000000 ] - [ 0.0000454400000000, 0.0000667900000000, 0.0000820400000000 ] - [ 0.0002974400000000, -0.0001493000000000, 0.0000054800000000 ] - [ -0.0112997700000000, -0.0242451600000000, -0.0121202200000000 ] - [ 0.0005459800000000, 0.0001414600000000, -0.0002048100000000 ] - [ -0.0055260200000000, 0.0055458900000000, -0.0007169300000000 ] - [ 0.0017266400000000, -0.0021796800000000, 0.0014217900000000 ] - [ -0.0006487400000000, -0.0005043300000000, -0.0002980700000000 ] - [ -0.0062831700000000, 0.0018358400000000, 0.0001326800000000 ] - [ 0.0016404800000000, 0.0012220500000000, 0.0010010100000000 ] - [ -0.0007155000000000, -0.0110590900000000, 0.0665148300000000 ] - [ 0.0004718600000000, 0.0001333900000000, -0.0002814600000000 ] - [ -0.0211258200000000, 0.2362683300000000, -0.0433325100000000 ] - [ 0.0004938600000000, 0.0000559300000000, -0.0000135100000000 ] - [ -0.0078828100000000, -0.0193529600000000, 0.0499341000000000 ] - [ 0.0001137400000000, -0.0000272800000000, -0.0000952400000000 ] - [ 0.0008894500000000, -0.0001347200000000, -0.0002294500000000 ] - [ -0.0072527500000000, 0.0003420200000000, 0.0025653700000000 ] - [ 0.0003946700000000, -0.0003226600000000, 0.0000226600000000 ] - [ -0.0060429800000000, -0.0153235500000000, -0.0036739900000000 ] - [ -0.0001208100000000, 0.0000126000000000, -0.0001937800000000 ] - [ 0.0594442600000000, -0.0168777300000000, -0.0075986700000000 ] - [ -0.0000115200000000, 0.0021181600000000, 0.0009774300000000 ] - [ -0.0014557300000000, 0.0026957700000000, 0.0001621500000000 ] - [ 0.0023395100000000, 0.0002597500000000, -0.0003750700000000 ] - [ -0.0056233500000000, 0.0002586500000000, 0.0021889200000000 ] - [ 0.0004422900000000, -0.0017394000000000, -0.0007233100000000 ] - [ 0.0008814100000000, -0.0065882000000000, -0.0002906900000000 ] - [ 0.0062618400000000, 0.0161015800000000, -0.0009464800000000 ] - [ 0.0003356100000000, 0.0005953200000000, -0.0004130400000000 ] - [ -0.0060805600000000, 0.0007130000000000, 0.0036119800000000 ] - [ 0.0003113200000000, -0.0000023900000000, 0.0001279800000000 ] - [ -0.0035546700000000, -0.0106627200000000, -0.0016319900000000 ] - [ 0.0002404100000000, -0.0011092600000000, 0.0005774400000000 ] - [ 0.0029253700000000, 0.0140448700000000, -0.0005240000000000 ] - [ -0.0000773400000000, 0.0000594500000000, -0.0000122600000000 ] - [ -0.0039870800000000, -0.0198498700000000, -0.0112616500000000 ] - [ -0.0001669800000000, -0.0000967800000000, 0.0000417500000000 ] - [ 0.0044262400000000, -0.0010548600000000, -0.0102232800000000 ] - [ -0.0002827500000000, -0.0001764500000000, -0.0000397900000000 ] - [ -0.0008984700000000, -0.0193386200000000, 0.0157583100000000 ] - [ -0.0001055300000000, -0.0001134300000000, 0.0000423300000000 ] - [ 0.0018617000000000, -0.0977249400000000, -0.0097121300000000 ] - [ -0.0000671300000000, 0.0000531600000000, 0.0000374800000000 ] - [ 0.0035094100000000, 0.0136560400000000, -0.0021425400000000 ] - [ -0.0001655000000000, 0.0000433700000000, 0.0000239100000000 ] - [ -0.0100580800000000, -0.0149691100000000, -0.0090930200000000 ] - [ -0.0001064100000000, 0.0000414200000000, 0.0000970600000000 ] - [ 0.0058587600000000, -0.0025148200000000, -0.0123559300000000 ] - [ -0.0002623600000000, -0.0000161900000000, 0.0001052300000000 ] - [ -0.0000992800000000, 0.0000365100000000, 0.0001672200000000 ] - [ -0.0057008400000000, 0.0016282600000000, -0.0060231000000000 ] - [ -0.0003601300000000, 0.0001474700000000, -0.0000520900000000 ] - [ 0.0080534400000000, 0.0037150200000000, -0.0064615800000000 ] - [ -0.0003326600000000, -0.0001448200000000, 0.0001548500000000 ] - [ 0.0056526500000000, -0.0273015400000000, 0.0019849800000000 ] - [ -0.0001071900000000, 0.0002634600000000, 0.0000378500000000 ] - [ -0.0036880400000000, 0.0073960600000000, 0.0070555000000000 ] - [ 0.0000291200000000, 0.0001530600000000, -0.0000589500000000 ] - [ 0.0007836800000000, 0.0041060100000000, 0.0004165800000000 ] - [ -0.0004762700000000, 0.0000463600000000, 0.0001658700000000 ] - [ 0.0071227900000000, 0.0002528100000000, 0.0026822900000000 ] - [ -0.0001689800000000, 0.0003599400000000, 0.0000978300000000 ] - [ -0.0003157500000000, 0.0107578800000000, 0.0013895600000000 ] - [ -0.0001669800000000, -0.0003102600000000, -0.0001628200000000 ] - [ 0.0014306800000000, -0.0037301300000000, -0.0005430300000000 ] - [ 0.0003878400000000, 0.0004095000000000, 0.0003779200000000 ] - [ -0.0094970000000000, 0.0045578700000000, 0.0012133100000000 ] - [ -0.0008422200000000, -0.0004464900000000, -0.0003647000000000 ] - [ 0.0026611100000000, -0.0009800700000000, -0.0004814100000000 ] - [ -0.0005258500000000, 0.0005802900000000, 0.0001749500000000 ] - [ 0.0009597000000000, 0.0016418600000000, 0.0016851100000000 ] - [ -0.0009952700000000, 0.0004661400000000, 0.0003339100000000 ] - [ 0.0007711700000000, 0.0009880700000000, -0.0008735200000000 ] - [ 0.0003191700000000, -0.0009732400000000, 0.0000172000000000 ] - [ -0.0000482200000000, -0.0017085500000000, -0.0009023300000000 ] - [ 0.0017899100000000, -0.0017813800000000, -0.0003125300000000 ] - [ -0.0005148500000000, -0.0010270200000000, -0.0000970500000000 ] - [ 0.0005250500000000, 0.0010551800000000, 0.0003631700000000 ] - [ -0.0002072600000000, 0.0016502500000000, -0.0009150900000000 ] - [ -0.0016006700000000, -0.0009289000000000, -0.0008115700000000 ] - [ -0.0003338100000000, -0.0007069500000000, 0.0011175700000000 ] - [ -0.0001223700000000, 0.0059876900000000, 0.0008584200000000 ] - [ -0.0010464900000000, 0.0010623300000000, -0.0004248000000000 ] - [ -0.0003784300000000, -0.0033711400000000, -0.0025053000000000 ] - [ 0.0003524800000000, -0.0003428600000000, 0.0002754600000000 ] - [ -0.0034484300000000, 0.0039119500000000, 0.0028637400000000 ] - [ 0.0010436200000000, 0.0007385000000000, -0.0002725300000000 ] - [ 0.0003839400000000, 0.0027216500000000, -0.0008981100000000 ] - [ 0.0000335200000000, 0.0003001400000000, -0.0000869300000000 ] - [ 0.0030930100000000, -0.0038023500000000, 0.0016349300000000 ] - [ -0.0001981700000000, -0.0002043300000000, 0.0002831600000000 ] - [ -0.0057201400000000, -0.0205141800000000, 0.0020482400000000 ] - [ -0.0004325900000000, -0.0003861900000000, 0.0000902100000000 ] - [ 0.0051258400000000, 0.0029947800000000, -0.0042179600000000 ] - [ -0.0004527100000000, 0.0000643700000000, -0.0002461000000000 ] - [ -0.0091451000000000, -0.0050580400000000, -0.0056231200000000 ] - [ -0.0000848900000000, -0.0001656700000000, 0.0000508700000000 ]- atom: 23 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ -0.0005506500000000, 0.0002776500000000, 0.0002042000000000 ] - [ 0.0011188400000000, -0.0008161000000000, 0.0014397200000000 ] - [ 0.0006401700000000, 0.0008103900000000, 0.0000982400000000 ] - [ -0.0002785800000000, 0.0001040300000000, 0.0000429800000000 ] - [ 0.0012747000000000, -0.0008411300000000, -0.0047336100000000 ] - [ -0.0001452600000000, 0.0001134300000000, -0.0001814500000000 ] - [ -0.0057519400000000, 0.0071090100000000, 0.0122681000000000 ] - [ 0.0001540600000000, 0.0001348800000000, 0.0000597100000000 ] - [ 0.0002198900000000, 0.0019007400000000, -0.0041757100000000 ] - [ 0.0001018100000000, 0.0000003400000000, -0.0000891300000000 ] - [ -0.0064953800000000, 0.0093739500000000, 0.0164219200000000 ] - [ 0.0001148000000000, 0.0001213500000000, 0.0001553000000000 ] - [ -0.0000717100000000, -0.0000422500000000, -0.0002142700000000 ] - [ 0.0012812800000000, 0.0001465200000000, -0.0056731200000000 ] - [ 0.0013172000000000, -0.0008833800000000, -0.0009973900000000 ] - [ -0.0065446400000000, -0.0009564800000000, -0.0007745900000000 ] - [ 0.0013464400000000, -0.0020175700000000, 0.0025879700000000 ] - [ -0.0004903000000000, -0.0000524000000000, 0.0002965200000000 ] - [ -0.0068314100000000, 0.0004475800000000, -0.0057094700000000 ] - [ 0.0003661800000000, 0.0003809900000000, -0.0002906500000000 ] - [ -0.0050480900000000, -0.0464290500000000, 0.0168297300000000 ] - [ 0.0001595700000000, -0.0000443900000000, 0.0000124600000000 ] - [ -0.0013622200000000, 0.0442508900000000, -0.2689267000000000 ] - [ 0.0001741000000000, -0.0001016100000000, -0.0002163600000000 ] - [ 0.0097292100000000, -0.0844990100000000, 0.0169427100000000 ] - [ -0.0002273300000000, 0.0000929500000000, -0.0000282300000000 ] - [ 0.0000814800000000, -0.0006550600000000, 0.0010614900000000 ] - [ -0.0036486900000000, 0.0014422300000000, 0.0102425300000000 ] - [ 0.0001144400000000, -0.0001010200000000, 0.0000974300000000 ] - [ -0.0044957300000000, -0.0037315000000000, -0.0003221700000000 ] - [ -0.0000467900000000, 0.0005741000000000, -0.0004401900000000 ] - [ 0.0068150900000000, 0.0099794600000000, -0.0218716000000000 ] - [ 0.0002060300000000, 0.0006422000000000, 0.0049393500000000 ] - [ -0.0000253800000000, 0.0007726500000000, 0.0017322700000000 ] - [ -0.0048102700000000, -0.0017451900000000, -0.0003274200000000 ] - [ 0.0020511700000000, 0.0000000600000000, -0.0003450400000000 ] - [ -0.0011115500000000, 0.0000829100000000, -0.0030654000000000 ] - [ 0.0003508700000000, -0.0013799300000000, -0.0021503200000000 ] - [ 0.0512997600000000, 0.0074778600000000, 0.0154902500000000 ] - [ -0.0006534200000000, 0.0001746200000000, -0.0000050900000000 ] - [ -0.0091705500000000, 0.0034480600000000, 0.0159651400000000 ] - [ 0.0001457500000000, 0.0000980000000000, 0.0004201400000000 ] - [ -0.0076190800000000, -0.0039332100000000, -0.0006451100000000 ] - [ 0.0003529700000000, 0.0000035800000000, -0.0000068200000000 ] - [ 0.0050975200000000, 0.0132638000000000, 0.0039058400000000 ] - [ -0.0000036600000000, -0.0001534600000000, 0.0000787900000000 ] - [ -0.0105009700000000, 0.0116127600000000, 0.0028666600000000 ] - [ 0.0000894300000000, 0.0000483200000000, 0.0000091100000000 ] - [ 0.0048958900000000, 0.0018657700000000, -0.0163574700000000 ] - [ -0.0001345400000000, -0.0001757100000000, -0.0001187400000000 ] - [ -0.0102975900000000, 0.0136478000000000, 0.1497161800000000 ] - [ -0.0000714800000000, -0.0000802500000000, 0.0001591400000000 ] - [ -0.0004017000000000, -0.0082288400000000, 0.0199925200000000 ] - [ 0.0000666900000000, 0.0002060500000000, 0.0000883100000000 ] - [ 0.0029060100000000, 0.0096565600000000, 0.0017215100000000 ] - [ 0.0000383200000000, 0.0000480200000000, -0.0000052500000000 ] - [ -0.0049353100000000, 0.0132513700000000, 0.0256808200000000 ] - [ 0.0000346300000000, -0.0000106500000000, 0.0001558200000000 ] - [ 0.0037315200000000, 0.0010919400000000, -0.0125232900000000 ] - [ 0.0001012800000000, 0.0000797500000000, -0.0002350300000000 ] - [ 0.0001050700000000, -0.0000866000000000, 0.0002378700000000 ] - [ -0.0147426800000000, 0.0035464200000000, 0.0116370400000000 ] - [ -0.0003504900000000, 0.0003422400000000, -0.0002438200000000 ] - [ 0.0046999700000000, 0.0045853700000000, -0.0029724900000000 ] - [ -0.0004121400000000, -0.0002378100000000, 0.0003634700000000 ] - [ -0.0049319500000000, -0.0073980800000000, 0.0199080300000000 ] - [ -0.0002316400000000, -0.0001196400000000, 0.0001084700000000 ] - [ 0.0019398800000000, -0.0012596300000000, 0.0030672400000000 ] - [ 0.0001687700000000, 0.0000341700000000, -0.0003265900000000 ] - [ 0.0004329600000000, 0.0011759300000000, -0.0023913200000000 ] - [ 0.0011390300000000, -0.0000531700000000, -0.0006480500000000 ] - [ -0.0028141900000000, -0.0016571900000000, -0.0034712700000000 ] - [ 0.0002789600000000, -0.0001655900000000, 0.0003616100000000 ] - [ -0.0005584700000000, 0.0019241400000000, 0.0031353800000000 ] - [ -0.0006070300000000, 0.0003269200000000, -0.0007453300000000 ] - [ 0.0008525300000000, -0.0010857300000000, -0.0045193800000000 ] - [ -0.0001139500000000, -0.0009757400000000, 0.0008922100000000 ] - [ -0.0015483500000000, 0.0005273100000000, 0.0012825000000000 ] - [ 0.0000076900000000, 0.0004223300000000, -0.0016713500000000 ] - [ 0.0008041700000000, -0.0002934200000000, -0.0011216600000000 ] - [ -0.0005185300000000, 0.0002795000000000, 0.0008466000000000 ] - [ 0.0013756700000000, 0.0004072300000000, 0.0014482200000000 ] - [ -0.0003629100000000, 0.0010932700000000, 0.0017791400000000 ] - [ 0.0003976100000000, 0.0004556800000000, 0.0009914200000000 ] - [ 0.0010914500000000, 0.0007163400000000, -0.0007816700000000 ] - [ -0.0003610000000000, -0.0001789700000000, -0.0002491400000000 ] - [ 0.0016053700000000, -0.0019345600000000, -0.0015772600000000 ] - [ -0.0003771700000000, -0.0004016700000000, -0.0004898300000000 ] - [ 0.0025903900000000, 0.0004283800000000, 0.0015600900000000 ] - [ -0.0007480100000000, 0.0002419600000000, 0.0004529900000000 ] - [ -0.0081217600000000, -0.0002536300000000, -0.0025483600000000 ] - [ 0.0008339700000000, -0.0002336200000000, -0.0003815500000000 ] - [ 0.0008335100000000, 0.0010093000000000, 0.0032025200000000 ] - [ -0.0001457300000000, 0.0002226200000000, 0.0001832600000000 ] - [ -0.0007337800000000, -0.0026362500000000, -0.0095030600000000 ] - [ 0.0002549900000000, -0.0001366200000000, -0.0002081500000000 ] - [ 0.0054394000000000, -0.0011307300000000, 0.0003185700000000 ] - [ -0.0002632800000000, -0.0001281500000000, -0.0001338600000000 ] - [ 0.0009637900000000, 0.0008978600000000, -0.0038559200000000 ] - [ 0.0000098100000000, 0.0000602500000000, -0.0002074000000000 ] - [ -0.0027622200000000, -0.0065438500000000, -0.0068346600000000 ] - [ 0.0001139500000000, -0.0001007400000000, -0.0001295100000000 ] - [ 0.0078463400000000, -0.0011858300000000, 0.0280150200000000 ] - [ 0.0000551400000000, -0.0001098100000000, 0.0000879800000000 ] - [ 0.0085065700000000, 0.0066589000000000, -0.0044634100000000 ] - [ -0.0001543200000000, -0.0001194700000000, -0.0000099400000000 ] - [ -0.0062615400000000, 0.0052080100000000, -0.0015620200000000 ] - [ 0.0001212600000000, 0.0000079500000000, -0.0000858500000000 ]- atom: 23 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ 0.0002718600000000, 0.0000463200000000, -0.0002104900000000 ] - [ -0.0013975900000000, 0.0011459200000000, -0.0014523400000000 ] - [ -0.0004506100000000, -0.0005571300000000, 0.0001334200000000 ] - [ 0.0004769100000000, 0.0001540500000000, 0.0001933700000000 ] - [ -0.0014021700000000, 0.0010633300000000, 0.0045127900000000 ] - [ -0.0000551200000000, 0.0001465300000000, -0.0000451100000000 ] - [ 0.0059673600000000, -0.0067250500000000, -0.0121688400000000 ] - [ 0.0001226700000000, 0.0001906600000000, -0.0000563100000000 ] - [ -0.0000645800000000, -0.0018869300000000, 0.0042240900000000 ] - [ 0.0000686300000000, 0.0000210200000000, 0.0000875500000000 ] - [ 0.0064744300000000, -0.0095796600000000, -0.0165160700000000 ] - [ -0.0003044800000000, -0.0001754800000000, -0.0000567400000000 ] - [ 0.0002517500000000, -0.0000058400000000, 0.0001124700000000 ] - [ -0.0011369600000000, -0.0002127400000000, 0.0055116800000000 ] - [ -0.0014984900000000, 0.0009112400000000, 0.0010169300000000 ] - [ 0.0063451300000000, 0.0009583800000000, 0.0008629000000000 ] - [ -0.0013810700000000, 0.0020563800000000, -0.0024936800000000 ] - [ 0.0004653400000000, 0.0000889100000000, -0.0001917800000000 ] - [ 0.0068404200000000, -0.0004205700000000, 0.0055673100000000 ] - [ -0.0003689700000000, -0.0003538700000000, 0.0001735500000000 ] - [ 0.0053437000000000, 0.0471429200000000, -0.0167335800000000 ] - [ 0.0000957700000000, 0.0001263000000000, -0.0000427900000000 ] - [ 0.0029818500000000, -0.0428933300000000, 0.2588300800000000 ] - [ -0.0001531400000000, -0.0000807600000000, 0.0001348300000000 ] - [ -0.0101849700000000, 0.0838955500000000, -0.0168870700000000 ] - [ -0.0002714700000000, -0.0002356500000000, -0.0000514000000000 ] - [ 0.0003991700000000, 0.0005240600000000, -0.0009893600000000 ] - [ 0.0041964900000000, -0.0015386600000000, -0.0101784200000000 ] - [ -0.0001510400000000, -0.0000828500000000, -0.0000076800000000 ] - [ 0.0045237500000000, 0.0035643600000000, 0.0004554100000000 ] - [ -0.0002162300000000, -0.0004909000000000, 0.0004828300000000 ] - [ -0.0071799600000000, -0.0095544200000000, 0.0219716700000000 ] - [ -0.0002025700000000, -0.0007519900000000, -0.0047650600000000 ] - [ 0.0001133800000000, -0.0009035400000000, -0.0015389400000000 ] - [ 0.0049083300000000, 0.0017426600000000, 0.0000436400000000 ] - [ -0.0019230500000000, -0.0000076000000000, 0.0000384600000000 ] - [ 0.0014030000000000, -0.0000265900000000, 0.0029081100000000 ] - [ -0.0001035300000000, 0.0014751600000000, 0.0019905800000000 ] - [ -0.0522528400000000, -0.0074409300000000, -0.0153597800000000 ] - [ 0.0003694600000000, -0.0001237300000000, 0.0001823400000000 ] - [ 0.0090638300000000, -0.0034965700000000, -0.0157684000000000 ] - [ -0.0002502300000000, -0.0001077900000000, -0.0001566800000000 ] - [ 0.0076544900000000, 0.0038433900000000, 0.0004035000000000 ] - [ -0.0003927300000000, -0.0001223400000000, -0.0002124800000000 ] - [ -0.0049930100000000, -0.0134259400000000, -0.0037761400000000 ] - [ 0.0001539100000000, 0.0000077300000000, 0.0000132000000000 ] - [ 0.0104752000000000, -0.0115827900000000, -0.0050856500000000 ] - [ 0.0000132100000000, 0.0000084100000000, -0.0000843200000000 ] - [ -0.0050680100000000, -0.0020426300000000, 0.0164583700000000 ] - [ -0.0000126800000000, -0.0000483500000000, 0.0000754300000000 ] - [ 0.0092169800000000, -0.0153188400000000, -0.1388321400000000 ] - [ -0.0000415500000000, 0.0000446300000000, -0.0000164500000000 ] - [ 0.0004793900000000, 0.0081165700000000, -0.0195790900000000 ] - [ 0.0000410000000000, 0.0001013200000000, -0.0000800900000000 ] - [ -0.0028123300000000, -0.0097553500000000, -0.0018504700000000 ] - [ 0.0000946200000000, -0.0000734700000000, -0.0001058000000000 ] - [ 0.0049528500000000, -0.0125277100000000, -0.0251367400000000 ] - [ 0.0000985900000000, 0.0001443000000000, -0.0000073700000000 ] - [ -0.0037468600000000, -0.0011243800000000, 0.0123499100000000 ] - [ -0.0000935500000000, -0.0000565000000000, 0.0000966800000000 ] - [ -0.0001018100000000, 0.0001114400000000, -0.0001032000000000 ] - [ 0.0147658500000000, -0.0035099400000000, -0.0114725500000000 ] - [ 0.0002257900000000, -0.0002114000000000, 0.0000941500000000 ] - [ -0.0048615700000000, -0.0044931700000000, 0.0027757800000000 ] - [ 0.0002871200000000, 0.0002131400000000, -0.0002578700000000 ] - [ 0.0047093600000000, 0.0072412500000000, -0.0195444600000000 ] - [ 0.0001301500000000, 0.0004320500000000, -0.0001237300000000 ] - [ -0.0020780900000000, 0.0015781200000000, -0.0031535900000000 ] - [ -0.0000519200000000, -0.0000718300000000, 0.0001799300000000 ] - [ -0.0003250900000000, -0.0012257400000000, 0.0022405600000000 ] - [ -0.0009875400000000, -0.0001753300000000, 0.0006975000000000 ] - [ 0.0029305500000000, 0.0013992800000000, 0.0035383900000000 ] - [ -0.0003813400000000, 0.0002209400000000, -0.0002928400000000 ] - [ 0.0004737500000000, -0.0019082900000000, -0.0030968700000000 ] - [ 0.0004730600000000, -0.0004798700000000, 0.0006585600000000 ] - [ -0.0010757500000000, 0.0009279200000000, 0.0044564900000000 ] - [ 0.0001621500000000, 0.0010039200000000, -0.0007051300000000 ] - [ 0.0016712200000000, -0.0005443600000000, -0.0011018500000000 ] - [ 0.0000281100000000, -0.0006139800000000, 0.0014881400000000 ] - [ -0.0007890100000000, 0.0001052100000000, 0.0009357900000000 ] - [ 0.0003828500000000, -0.0003601700000000, -0.0007576900000000 ] - [ -0.0015320900000000, -0.0004917500000000, -0.0013747200000000 ] - [ 0.0001676300000000, -0.0011166700000000, -0.0017143500000000 ] - [ -0.0005721100000000, -0.0004779700000000, -0.0009133200000000 ] - [ -0.0010183100000000, -0.0006810200000000, 0.0008369600000000 ] - [ 0.0004375800000000, 0.0002242200000000, 0.0003120800000000 ] - [ -0.0016862600000000, 0.0016805300000000, 0.0017132200000000 ] - [ 0.0002880800000000, 0.0001519400000000, 0.0006160400000000 ] - [ -0.0028084400000000, -0.0004699500000000, -0.0015083300000000 ] - [ 0.0005365300000000, -0.0002879500000000, -0.0003925600000000 ] - [ 0.0083227500000000, 0.0003933500000000, 0.0026942400000000 ] - [ -0.0007088900000000, 0.0003814500000000, 0.0004977800000000 ] - [ -0.0009786200000000, -0.0008548500000000, -0.0033421300000000 ] - [ 0.0000343300000000, -0.0000796600000000, -0.0003135500000000 ] - [ 0.0009933000000000, 0.0026116300000000, 0.0094406600000000 ] - [ -0.0000477700000000, 0.0001020600000000, 0.0001564400000000 ] - [ -0.0053372400000000, 0.0008190200000000, -0.0004290100000000 ] - [ 0.0003482400000000, -0.0001319000000000, 0.0000130600000000 ] - [ -0.0010356500000000, -0.0008562400000000, 0.0038428000000000 ] - [ -0.0000823800000000, -0.0000222100000000, 0.0001760100000000 ] - [ 0.0030050700000000, 0.0065584200000000, 0.0067834700000000 ] - [ 0.0000769400000000, 0.0000778800000000, 0.0000622500000000 ] - [ -0.0074829300000000, 0.0010898300000000, -0.0279124300000000 ] - [ 0.0000968400000000, 0.0000324200000000, -0.0001917600000000 ] - [ -0.0085605400000000, -0.0068064900000000, 0.0046777600000000 ] - [ 0.0001293500000000, -0.0000658500000000, 0.0002067500000000 ] - [ 0.0062484900000000, -0.0052348800000000, 0.0013231000000000 ] - [ -0.0001754300000000, 0.0000262300000000, -0.0001098400000000 ]- atom: 25 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ 0.0027801900000000, 0.0005913400000000, 0.0000240300000000 ] - [ 0.0088714300000000, -0.0057223000000000, 0.0065126500000000 ] - [ 0.0011744200000000, 0.0002980900000000, -0.0006228100000000 ] - [ 0.0013016200000000, 0.0007524100000000, -0.0010845100000000 ] - [ -0.0016615200000000, 0.0007350100000000, 0.0011079100000000 ] - [ 0.0013627400000000, -0.0005009100000000, -0.0007300300000000 ] - [ -0.0029090800000000, -0.0025674100000000, -0.0011251800000000 ] - [ 0.0019792800000000, 0.0002605900000000, 0.0003314400000000 ] - [ -0.0087100300000000, -0.0000928300000000, 0.0021800900000000 ] - [ 0.0039745100000000, 0.0000843000000000, -0.0006086600000000 ] - [ -0.0102041800000000, 0.0004802800000000, 0.0004376800000000 ] - [ 0.0035926400000000, 0.0004454600000000, -0.0001325300000000 ] - [ 0.0037890500000000, -0.0005556200000000, -0.0001178400000000 ] - [ -0.0094903300000000, -0.0053087800000000, 0.0008803200000000 ] - [ 0.0022011100000000, 0.0002350500000000, 0.0001489400000000 ] - [ 0.0009027000000000, 0.0015565400000000, -0.0018674800000000 ] - [ 0.0004353500000000, 0.0021543100000000, -0.0023192800000000 ] - [ 0.0024716700000000, -0.0009626700000000, 0.0001681000000000 ] - [ 0.0106967100000000, -0.0088000800000000, 0.0102586900000000 ] - [ 0.0060168400000000, 0.0021461700000000, 0.0000406300000000 ] - [ -0.0121143300000000, -0.0040367200000000, 0.0014127900000000 ] - [ 0.0073783000000000, 0.0023372300000000, -0.0024724000000000 ] - [ -0.0275647800000000, 0.0074700400000000, 0.0098889000000000 ] - [ 0.0064709300000000, -0.0004415000000000, 0.0000028700000000 ] - [ -0.2552764900000000, -0.0100656700000000, 0.0529477800000000 ] - [ 0.0077319600000000, 0.0017076700000000, -0.0028869000000000 ] - [ 0.0071449700000000, -0.0016634400000000, -0.0028512800000000 ] - [ -0.0074736300000000, -0.0017475900000000, 0.0010954200000000 ] - [ 0.0060270600000000, 0.0005531800000000, -0.0000586500000000 ] - [ -0.0072022100000000, -0.0075437300000000, -0.0038949000000000 ] - [ 0.0088335900000000, -0.0026416100000000, -0.0021401900000000 ] - [ 0.0114476700000000, 0.0121296500000000, -0.0881908500000000 ] - [ 0.0071614800000000, -0.0065448700000000, -0.0029852200000000 ] - [ 0.0048396200000000, 0.0026210300000000, 0.0041482300000000 ] - [ 0.0066604800000000, -0.0001789400000000, -0.0000455200000000 ] - [ 0.0017509300000000, -0.0001227100000000, 0.0016299100000000 ] - [ 0.0073284500000000, 0.0004062400000000, 0.0049124100000000 ] - [ 0.0094379000000000, -0.0079819000000000, -0.0014425200000000 ] - [ -0.0077897700000000, -0.0074405100000000, -0.0063302300000000 ] - [ 0.0068251200000000, 0.0025673600000000, 0.0021883600000000 ] - [ 0.0142212000000000, -0.0052263900000000, -0.0578088700000000 ] - [ 0.0080499100000000, -0.0000223500000000, 0.0001242200000000 ] - [ 0.0059645700000000, 0.0450264900000000, 0.0065556300000000 ] - [ 0.0083389800000000, 0.0017895200000000, 0.0015752600000000 ] - [ 0.0308262000000000, 0.0104338900000000, -0.0011129500000000 ] - [ -0.0052046700000000, -0.0012843100000000, 0.0005883000000000 ] - [ 0.0077530400000000, 0.0008898600000000, 0.0016623700000000 ] - [ -0.0037112700000000, -0.0009186300000000, -0.0000593000000000 ] - [ 0.0270349900000000, 0.0013920200000000, -0.0100041000000000 ] - [ -0.0047055700000000, -0.0006568800000000, 0.0010674700000000 ] - [ 0.0213896600000000, -0.0066486600000000, -0.0073038200000000 ] - [ -0.0015565600000000, -0.0003210500000000, 0.0006157700000000 ] - [ 0.0041281400000000, -0.0008106000000000, -0.0006341500000000 ] - [ -0.0019909400000000, -0.0002343400000000, 0.0004446700000000 ] - [ 0.0077909400000000, 0.0020801600000000, 0.0003992700000000 ] - [ -0.0039550100000000, -0.0006856900000000, 0.0004232000000000 ] - [ 0.0315981400000000, -0.0045957400000000, 0.0119205700000000 ] - [ -0.0038918600000000, 0.0001282400000000, 0.0006660500000000 ] - [ 0.0071318700000000, 0.0006268500000000, -0.0008444800000000 ] - [ -0.0047197600000000, -0.0002045800000000, 0.0016329800000000 ] - [ -0.0054787900000000, 0.0002535100000000, 0.0017980000000000 ] - [ 0.1242621200000000, -0.0073315500000000, 0.0194853800000000 ] - [ -0.0033731600000000, -0.0001822500000000, 0.0006572300000000 ] - [ 0.0047264800000000, 0.0020617600000000, 0.0000391200000000 ] - [ -0.0040437000000000, 0.0010260200000000, 0.0003221100000000 ] - [ 0.0128750400000000, -0.0161897200000000, 0.0035188600000000 ] - [ -0.0021669000000000, 0.0004830400000000, 0.0003103300000000 ] - [ 0.0036938900000000, 0.0038586400000000, 0.0124358100000000 ] - [ -0.0014806000000000, 0.0001334200000000, 0.0006489100000000 ] - [ 0.0012021100000000, 0.0051534700000000, -0.0014700100000000 ] - [ -0.0042685400000000, 0.0002075500000000, 0.0012032700000000 ] - [ 0.0026938500000000, 0.0002186700000000, -0.0007671900000000 ] - [ -0.0037829100000000, 0.0006229300000000, -0.0001369200000000 ] - [ -0.0012049700000000, 0.0094337800000000, 0.0068893400000000 ] - [ -0.0050440200000000, 0.0012950400000000, 0.0008380500000000 ] - [ 0.0005699900000000, -0.0029349400000000, -0.0019910400000000 ] - [ -0.0067513800000000, 0.0003946800000000, -0.0020126100000000 ] - [ -0.0090916900000000, 0.0031897200000000, 0.0046729600000000 ] - [ -0.0025766700000000, 0.0008513000000000, 0.0010855500000000 ] - [ 0.0001232900000000, -0.0003557000000000, -0.0009399000000000 ] - [ -0.0032478500000000, -0.0003604300000000, -0.0011553000000000 ] - [ -0.0009918200000000, 0.0013235600000000, 0.0025202700000000 ] - [ -0.0014078100000000, -0.0007908100000000, -0.0016161100000000 ] - [ -0.0011942100000000, 0.0017156800000000, -0.0003688100000000 ] - [ -0.0031487000000000, 0.0029031000000000, 0.0006855300000000 ] - [ -0.0021969300000000, -0.0025297400000000, -0.0014400800000000 ] - [ -0.0063249400000000, 0.0040599200000000, 0.0042308300000000 ] - [ -0.0059736300000000, -0.0011291000000000, -0.0020989400000000 ] - [ -0.0035516600000000, -0.0030410200000000, -0.0020287200000000 ] - [ -0.0052439100000000, 0.0029608100000000, -0.0006336600000000 ] - [ 0.0004900000000000, 0.0012561300000000, 0.0023036800000000 ] - [ -0.0038095600000000, -0.0006117800000000, -0.0002965100000000 ] - [ -0.0018017400000000, -0.0031462300000000, -0.0053727700000000 ] - [ -0.0052639400000000, 0.0005485800000000, -0.0004814600000000 ] - [ -0.0006532700000000, 0.0058540800000000, 0.0061155000000000 ] - [ -0.0027188500000000, -0.0004426700000000, -0.0009471600000000 ] - [ -0.0021148600000000, -0.0077242100000000, -0.0010625500000000 ] - [ -0.0031067900000000, -0.0002965400000000, -0.0005013600000000 ] - [ -0.0005420600000000, -0.0073876500000000, 0.0051039900000000 ] - [ -0.0015702500000000, -0.0001142800000000, -0.0004685800000000 ] - [ 0.0021101800000000, 0.0032945600000000, 0.0111551300000000 ] - [ -0.0021323700000000, -0.0006558400000000, -0.0003754200000000 ] - [ 0.0074725500000000, 0.0026357500000000, -0.0011278600000000 ] - [ -0.0041066900000000, -0.0006447200000000, -0.0004855300000000 ] - [ 0.0074266600000000, -0.0058935300000000, 0.0130692300000000 ] - [ -0.0040392000000000, -0.0006238400000000, -0.0001157800000000 ] - [ 0.0066377900000000, 0.0022212300000000, 0.0004625700000000 ] - [ -0.0045639000000000, -0.0009402900000000, 0.0000243600000000 ]- atom: 25 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ -0.0030610700000000, -0.0002732900000000, -0.0000283200000000 ] - [ -0.0090509500000000, 0.0059853000000000, -0.0064712500000000 ] - [ -0.0009805900000000, -0.0000364500000000, 0.0008436300000000 ] - [ -0.0011150200000000, -0.0004963900000000, 0.0013171000000000 ] - [ 0.0014889200000000, -0.0004837400000000, -0.0013382700000000 ] - [ -0.0015612200000000, 0.0007622700000000, 0.0005055400000000 ] - [ 0.0032367800000000, 0.0028686200000000, 0.0011287100000000 ] - [ -0.0017076600000000, 0.0000582200000000, -0.0003217600000000 ] - [ 0.0089502400000000, 0.0000887600000000, -0.0021983300000000 ] - [ -0.0038038900000000, -0.0000642300000000, 0.0006084000000000 ] - [ 0.0099661600000000, -0.0005636100000000, -0.0003504400000000 ] - [ -0.0037797100000000, -0.0004973000000000, 0.0002300500000000 ] - [ -0.0036167400000000, 0.0005069600000000, 0.0000185800000000 ] - [ 0.0096338900000000, 0.0052124000000000, -0.0009960700000000 ] - [ -0.0023816400000000, -0.0002147700000000, -0.0001537000000000 ] - [ -0.0011002500000000, -0.0015335900000000, 0.0018765100000000 ] - [ -0.0004559300000000, -0.0021325200000000, 0.0024216700000000 ] - [ -0.0025093100000000, 0.0009979700000000, -0.0000683000000000 ] - [ -0.0108376000000000, 0.0089883600000000, -0.0104987700000000 ] - [ -0.0059973300000000, -0.0021175500000000, -0.0001459200000000 ] - [ 0.0124113700000000, 0.0041054400000000, -0.0013979800000000 ] - [ -0.0071266200000000, -0.0022637400000000, 0.0024535100000000 ] - [ 0.0276695400000000, -0.0077627800000000, -0.0096315700000000 ] - [ -0.0064579900000000, 0.0002537500000000, -0.0001078300000000 ] - [ 0.2465111300000000, 0.0112779100000000, -0.0518863200000000 ] - [ -0.0082596900000000, -0.0018533300000000, 0.0028104000000000 ] - [ -0.0066477500000000, 0.0015173900000000, 0.0029433800000000 ] - [ 0.0079398400000000, 0.0016116900000000, -0.0010241900000000 ] - [ -0.0060708900000000, -0.0007496900000000, 0.0001582300000000 ] - [ 0.0071385300000000, 0.0073890200000000, 0.0040290300000000 ] - [ -0.0091440500000000, 0.0027344100000000, 0.0021698000000000 ] - [ -0.0115084400000000, -0.0120158900000000, 0.0876314700000000 ] - [ -0.0071304600000000, 0.0064537400000000, 0.0032420800000000 ] - [ -0.0047990300000000, -0.0026844300000000, -0.0039235000000000 ] - [ -0.0065731200000000, 0.0001830200000000, -0.0002074200000000 ] - [ -0.0016827900000000, 0.0001210900000000, -0.0018953300000000 ] - [ -0.0070820300000000, -0.0003763600000000, -0.0051053200000000 ] - [ -0.0091827300000000, 0.0080616300000000, 0.0012491000000000 ] - [ 0.0075939000000000, 0.0075463400000000, 0.0065150900000000 ] - [ -0.0071201800000000, -0.0025148400000000, -0.0020223000000000 ] - [ -0.0142973500000000, 0.0052680900000000, 0.0588701600000000 ] - [ -0.0081528100000000, 0.0000131900000000, 0.0001395800000000 ] - [ -0.0060024700000000, -0.0457134900000000, -0.0067883600000000 ] - [ -0.0083915000000000, -0.0018939900000000, -0.0017965800000000 ] - [ -0.0304136900000000, -0.0102883400000000, 0.0012602900000000 ] - [ 0.0053812700000000, 0.0011287700000000, -0.0005022400000000 ] - [ -0.0076716200000000, -0.0008434200000000, -0.0017857300000000 ] - [ 0.0038407200000000, 0.0009634700000000, -0.0000240400000000 ] - [ -0.0268799300000000, -0.0016817600000000, 0.0095049900000000 ] - [ 0.0045776700000000, 0.0004367500000000, -0.0011009100000000 ] - [ -0.0211777900000000, 0.0064245300000000, 0.0073531900000000 ] - [ 0.0014404700000000, 0.0003007900000000, -0.0004517800000000 ] - [ -0.0040441900000000, 0.0011956000000000, 0.0006041900000000 ] - [ 0.0021016100000000, 0.0005576600000000, -0.0004268900000000 ] - [ -0.0076722100000000, -0.0020923900000000, -0.0005049800000000 ] - [ 0.0040894900000000, 0.0006754300000000, -0.0005302700000000 ] - [ -0.0311811500000000, 0.0046139400000000, -0.0112768400000000 ] - [ 0.0040332700000000, -0.0000004200000000, -0.0005229000000000 ] - [ -0.0071375900000000, -0.0006033400000000, 0.0006959500000000 ] - [ 0.0047142700000000, 0.0002226600000000, -0.0017850000000000 ] - [ 0.0055145800000000, -0.0002359600000000, -0.0016570700000000 ] - [ -0.1150176200000000, 0.0066695500000000, -0.0206425600000000 ] - [ 0.0032542100000000, 0.0003132500000000, -0.0008023100000000 ] - [ -0.0048435400000000, -0.0019338600000000, -0.0001931700000000 ] - [ 0.0039315000000000, -0.0010471600000000, -0.0002128600000000 ] - [ -0.0129665700000000, 0.0161942400000000, -0.0034246000000000 ] - [ 0.0020696200000000, -0.0001586000000000, -0.0003228100000000 ] - [ -0.0037642800000000, -0.0035460300000000, -0.0124445600000000 ] - [ 0.0016054900000000, -0.0001533100000000, -0.0008154000000000 ] - [ -0.0010669600000000, -0.0051524400000000, 0.0012523700000000 ] - [ 0.0044186900000000, -0.0004284700000000, -0.0011792500000000 ] - [ -0.0025152300000000, -0.0004374700000000, 0.0008045100000000 ] - [ 0.0036769300000000, -0.0005758300000000, 0.0002242400000000 ] - [ 0.0011052600000000, -0.0094070100000000, -0.0067697900000000 ] - [ 0.0048759000000000, -0.0014510300000000, -0.0009256900000000 ] - [ -0.0007157000000000, 0.0027472400000000, 0.0018801200000000 ] - [ 0.0068654100000000, -0.0003425000000000, 0.0022285300000000 ] - [ 0.0092333000000000, -0.0031687400000000, -0.0044684100000000 ] - [ 0.0026166300000000, -0.0010238100000000, -0.0012770400000000 ] - [ -0.0000691300000000, 0.0001746100000000, 0.0007595500000000 ] - [ 0.0031201300000000, 0.0002860700000000, 0.0012449800000000 ] - [ 0.0008728000000000, -0.0014050100000000, -0.0024408300000000 ] - [ 0.0012241000000000, 0.0007666400000000, 0.0016703200000000 ] - [ 0.0010178000000000, -0.0017531000000000, 0.0004251600000000 ] - [ 0.0032620100000000, -0.0029162500000000, -0.0006887500000000 ] - [ 0.0022731500000000, 0.0025371200000000, 0.0014645400000000 ] - [ 0.0061856200000000, -0.0043391500000000, -0.0041468300000000 ] - [ 0.0058606100000000, 0.0008294800000000, 0.0022112200000000 ] - [ 0.0033313700000000, 0.0030455300000000, 0.0020976200000000 ] - [ 0.0050191800000000, -0.0029709400000000, 0.0007161000000000 ] - [ -0.0004074800000000, -0.0011174300000000, -0.0021706700000000 ] - [ 0.0039293300000000, 0.0007568100000000, 0.0004315400000000 ] - [ 0.0016773600000000, 0.0033394600000000, 0.0052624300000000 ] - [ 0.0051739100000000, -0.0004048400000000, 0.0003495600000000 ] - [ 0.0008323800000000, -0.0058902300000000, -0.0062255000000000 ] - [ 0.0029488200000000, 0.0004182900000000, 0.0008802600000000 ] - [ 0.0022304500000000, 0.0074926800000000, 0.0009352200000000 ] - [ 0.0032205400000000, 0.0000188900000000, 0.0003771400000000 ] - [ 0.0004329000000000, 0.0074467200000000, -0.0052088600000000 ] - [ 0.0014963400000000, 0.0001379000000000, 0.0004433900000000 ] - [ -0.0019209000000000, -0.0033575400000000, -0.0112699000000000 ] - [ 0.0023252400000000, 0.0006223200000000, 0.0003253600000000 ] - [ -0.0074344000000000, -0.0027426100000000, 0.0010475500000000 ] - [ 0.0042559100000000, 0.0005679700000000, 0.0004089300000000 ] - [ -0.0098611500000000, 0.0055646600000000, -0.0128829700000000 ] - [ 0.0040079700000000, 0.0004492700000000, 0.0002962800000000 ] - [ -0.0067438400000000, -0.0021796100000000, -0.0006601800000000 ] - [ 0.0045092700000000, 0.0009867300000000, -0.0002180900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006532100000000, -0.0006442900000000, -0.0004850000000000 ] - [ -0.0029560600000000, -0.0002980100000000, -0.0010222500000000 ] - [ -0.0002408700000000, -0.0007670400000000, 0.0002218600000000 ] - [ 0.0004557800000000, -0.0000716000000000, -0.0000533700000000 ] - [ -0.0021450100000000, 0.0038385100000000, 0.0015850000000000 ] - [ 0.0002713100000000, 0.0000939600000000, -0.0002187000000000 ] - [ -0.0064124200000000, 0.0101182900000000, 0.0050904400000000 ] - [ 0.0006030200000000, 0.0002594400000000, 0.0000189700000000 ] - [ -0.0018808200000000, -0.0046942400000000, 0.0056667700000000 ] - [ 0.0009145100000000, -0.0001222800000000, -0.0000134400000000 ] - [ 0.0020328600000000, -0.0029298300000000, 0.0039016500000000 ] - [ 0.0003552300000000, -0.0002045500000000, 0.0001432900000000 ] - [ 0.0013315400000000, 0.0000635700000000, -0.0000281100000000 ] - [ -0.0099325200000000, 0.0184256300000000, 0.0107328800000000 ] - [ -0.0007742100000000, 0.0011857700000000, 0.0007669700000000 ] - [ 0.0023860500000000, 0.0018351000000000, -0.0010431800000000 ] - [ -0.0003048600000000, 0.0026906800000000, -0.0018992700000000 ] - [ 0.0005007100000000, 0.0002317100000000, 0.0001515800000000 ] - [ -0.0074473100000000, -0.0047279300000000, 0.0010833300000000 ] - [ 0.0011035700000000, -0.0001921300000000, 0.0001496200000000 ] - [ 0.0000771900000000, 0.0075157400000000, -0.0055987100000000 ] - [ 0.0018731300000000, 0.0009966900000000, -0.0004643900000000 ] - [ 0.0048903600000000, 0.0193916000000000, -0.0846664700000000 ] - [ 0.0014675200000000, -0.0001347800000000, 0.0001204500000000 ] - [ -0.0100587300000000, -0.1843531400000000, 0.0113935000000000 ] - [ 0.0015163400000000, -0.0000213100000000, -0.0008382000000000 ] - [ 0.0018369200000000, 0.0011469800000000, -0.0016276800000000 ] - [ 0.0019693100000000, 0.0081346200000000, -0.0014346700000000 ] - [ 0.0020196100000000, -0.0000342200000000, 0.0006527900000000 ] - [ 0.0005605700000000, -0.0004851700000000, -0.0014136800000000 ] - [ 0.0015661400000000, -0.0018369200000000, -0.0002797100000000 ] - [ 0.0058670600000000, -0.0202975300000000, 0.0076408100000000 ] - [ -0.0034978400000000, 0.0007127100000000, -0.0027371200000000 ] - [ 0.0045184900000000, -0.0013759600000000, 0.0001157100000000 ] - [ 0.0049206500000000, 0.0066414600000000, -0.0014389000000000 ] - [ 0.0012289500000000, 0.0020033600000000, -0.0002045100000000 ] - [ 0.0068188900000000, -0.0012946900000000, 0.0054654000000000 ] - [ -0.0008469100000000, -0.0004593000000000, 0.0003553000000000 ] - [ -0.0084880100000000, -0.0023395500000000, -0.0089924000000000 ] - [ 0.0023405300000000, 0.0005511200000000, 0.0008940200000000 ] - [ -0.0043734700000000, -0.0201347600000000, -0.0065637700000000 ] - [ 0.0016382300000000, -0.0005587900000000, -0.0001396800000000 ] - [ 0.0718293900000000, 0.0162751200000000, -0.0074547700000000 ] - [ 0.0012274800000000, 0.0004528200000000, -0.0000566300000000 ] - [ -0.0241750000000000, 0.0360057000000000, 0.0023429600000000 ] - [ -0.0010213400000000, -0.0001757800000000, 0.0002129000000000 ] - [ 0.0028626800000000, -0.0015276400000000, 0.0099428300000000 ] - [ -0.0009336400000000, -0.0003086300000000, -0.0001505500000000 ] - [ 0.0031291900000000, 0.0155470500000000, 0.0074100300000000 ] - [ -0.0010536700000000, -0.0000931700000000, 0.0003722600000000 ] - [ -0.0039876600000000, 0.0553768500000000, 0.0306039100000000 ] - [ -0.0004054200000000, 0.0000140400000000, 0.0001677500000000 ] - [ 0.0003237200000000, -0.0169744000000000, 0.0034346400000000 ] - [ -0.0004745600000000, -0.0001113400000000, 0.0000259000000000 ] - [ 0.0002562700000000, -0.0028957800000000, -0.0001659200000000 ] - [ -0.0010410300000000, -0.0004013400000000, -0.0000589800000000 ] - [ -0.0022086900000000, 0.0260510700000000, -0.0009539300000000 ] - [ -0.0008235800000000, 0.0002910000000000, 0.0001971900000000 ] - [ -0.0013003000000000, -0.0043316400000000, 0.0015639600000000 ] - [ -0.0010962700000000, -0.0002233800000000, 0.0003594800000000 ] - [ -0.0012441800000000, 0.0003617900000000, 0.0005185100000000 ] - [ -0.0056080400000000, 0.0165668600000000, -0.0050585600000000 ] - [ -0.0007141400000000, -0.0004549800000000, 0.0000551600000000 ] - [ -0.0010912400000000, -0.0018481500000000, 0.0011296000000000 ] - [ -0.0006573400000000, 0.0005285000000000, -0.0001122400000000 ] - [ -0.0117622600000000, 0.0094990600000000, 0.0031994100000000 ] - [ -0.0003610200000000, 0.0008376000000000, -0.0002091000000000 ] - [ -0.0011778200000000, 0.0030097100000000, 0.0005191800000000 ] - [ -0.0004645600000000, -0.0002683500000000, -0.0000050800000000 ] - [ 0.0013752200000000, -0.0027885300000000, 0.0031354500000000 ] - [ -0.0020722700000000, -0.0005899700000000, 0.0012771900000000 ] - [ 0.0007516400000000, -0.0048582700000000, 0.0007664100000000 ] - [ -0.0025179600000000, 0.0008874400000000, -0.0007409500000000 ] - [ 0.0027165900000000, 0.0022941400000000, -0.0030844700000000 ] - [ 0.0006111400000000, -0.0009844500000000, 0.0002105400000000 ] - [ -0.0045560200000000, -0.0019992600000000, -0.0010607900000000 ] - [ -0.0006143600000000, 0.0026851600000000, -0.0003961700000000 ] - [ -0.0018159900000000, 0.0017773300000000, -0.0000136300000000 ] - [ -0.0005572100000000, -0.0016372900000000, 0.0015266300000000 ] - [ -0.0006893900000000, -0.0007891700000000, 0.0001038800000000 ] - [ -0.0015002200000000, -0.0001338000000000, -0.0016716200000000 ] - [ 0.0000355300000000, -0.0000639100000000, -0.0002186400000000 ] - [ -0.0004062900000000, -0.0023442100000000, -0.0014419300000000 ] - [ -0.0007449900000000, -0.0008296200000000, -0.0002074100000000 ] - [ 0.0009263500000000, -0.0028068600000000, 0.0007459800000000 ] - [ -0.0006973800000000, -0.0005951800000000, 0.0001132000000000 ] - [ 0.0001638800000000, 0.0020435700000000, 0.0011891200000000 ] - [ -0.0009332500000000, 0.0010331200000000, 0.0001486000000000 ] - [ -0.0090958100000000, -0.0015441600000000, -0.0024717000000000 ] - [ -0.0000968700000000, -0.0007026400000000, -0.0002034100000000 ] - [ 0.0040788200000000, -0.0000181300000000, 0.0016609800000000 ] - [ -0.0020447000000000, 0.0000755200000000, 0.0000213100000000 ] - [ -0.0076326800000000, 0.0003463700000000, -0.0086518800000000 ] - [ -0.0005567300000000, 0.0001752300000000, -0.0001641800000000 ] - [ 0.0044652800000000, 0.0035340600000000, 0.0013507700000000 ] - [ -0.0010975700000000, 0.0001875400000000, -0.0002636400000000 ] - [ -0.0039262100000000, -0.0140465300000000, -0.0006222100000000 ] - [ -0.0007104800000000, -0.0006681100000000, -0.0000322800000000 ] - [ -0.0032472600000000, 0.0084189400000000, 0.0106060600000000 ] - [ -0.0003196700000000, 0.0001333200000000, 0.0000381400000000 ] - [ 0.0011924300000000, 0.0042227000000000, 0.0030315000000000 ] - [ -0.0004105800000000, 0.0001366300000000, -0.0001059700000000 ] - [ 0.0122845100000000, 0.0006081500000000, 0.0097644300000000 ] - [ -0.0010129600000000, -0.0001128300000000, -0.0003167200000000 ] - [ 0.0037611500000000, 0.0230752600000000, 0.0019086000000000 ] - [ -0.0008173800000000, -0.0000550300000000, 0.0001975600000000 ] - [ 0.0025269300000000, -0.0026898600000000, 0.0011688900000000 ] - [ -0.0012008800000000, -0.0004382100000000, -0.0001146800000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009319700000000, 0.0009728600000000, 0.0004855900000000 ] - [ 0.0026350600000000, 0.0006591300000000, 0.0009859200000000 ] - [ 0.0004384300000000, 0.0010296200000000, -0.0000017400000000 ] - [ -0.0002675700000000, 0.0003283100000000, 0.0002836000000000 ] - [ 0.0019449300000000, -0.0035809900000000, -0.0018186800000000 ] - [ -0.0004687900000000, 0.0001667100000000, -0.0000065500000000 ] - [ 0.0066218800000000, -0.0097214100000000, -0.0049973400000000 ] - [ -0.0003314200000000, 0.0000588900000000, -0.0000090000000000 ] - [ 0.0020583600000000, 0.0047487200000000, -0.0057279700000000 ] - [ -0.0007439200000000, 0.0001454400000000, 0.0000125600000000 ] - [ -0.0022532300000000, 0.0027752400000000, -0.0038876200000000 ] - [ -0.0005409400000000, 0.0001529700000000, -0.0000470700000000 ] - [ -0.0011628600000000, -0.0001121000000000, -0.0000709200000000 ] - [ 0.0102944100000000, -0.0186362500000000, -0.0109698100000000 ] - [ 0.0005869700000000, -0.0011662700000000, -0.0007720100000000 ] - [ -0.0025648900000000, -0.0018193300000000, 0.0010482700000000 ] - [ 0.0002756700000000, -0.0026576500000000, 0.0019963900000000 ] - [ -0.0005317800000000, -0.0001931200000000, -0.0000514400000000 ] - [ 0.0074481600000000, 0.0047384800000000, -0.0011892400000000 ] - [ -0.0011018000000000, 0.0002129000000000, -0.0002467300000000 ] - [ 0.0002092600000000, -0.0073971300000000, 0.0055785100000000 ] - [ -0.0016205100000000, -0.0009236700000000, 0.0004439200000000 ] - [ -0.0047544100000000, -0.0193390900000000, 0.0836679700000000 ] - [ -0.0014528600000000, -0.0000556400000000, -0.0002249400000000 ] - [ 0.0113013000000000, 0.1831233800000000, -0.0095269100000000 ] - [ -0.0020446400000000, -0.0001234000000000, 0.0007635300000000 ] - [ -0.0013427900000000, -0.0012999200000000, 0.0017231900000000 ] - [ -0.0013888500000000, -0.0082702400000000, 0.0015645000000000 ] - [ -0.0020659000000000, -0.0001568000000000, -0.0005561600000000 ] - [ -0.0005790900000000, 0.0003732000000000, 0.0015566900000000 ] - [ -0.0018569600000000, 0.0019341300000000, 0.0003109000000000 ] - [ -0.0061830700000000, 0.0202838900000000, -0.0070559400000000 ] - [ 0.0035506000000000, -0.0008461700000000, 0.0029658100000000 ] - [ -0.0044716700000000, 0.0012464700000000, 0.0000815300000000 ] - [ -0.0048598500000000, -0.0066910000000000, 0.0011999500000000 ] - [ -0.0010824600000000, -0.0020133300000000, -0.0000690100000000 ] - [ -0.0065860100000000, 0.0013680700000000, -0.0056806200000000 ] - [ 0.0010991900000000, 0.0005614700000000, -0.0005194800000000 ] - [ 0.0081906900000000, 0.0023518900000000, 0.0090872400000000 ] - [ -0.0026304900000000, -0.0005030000000000, -0.0007282700000000 ] - [ 0.0047864700000000, 0.0202136900000000, 0.0067714300000000 ] - [ -0.0017634900000000, 0.0005537800000000, 0.0004000600000000 ] - [ -0.0726244100000000, -0.0165432800000000, 0.0073363500000000 ] - [ -0.0012843500000000, -0.0005457400000000, -0.0001605000000000 ] - [ 0.0238278600000000, -0.0406558600000000, -0.0027800900000000 ] - [ 0.0011966000000000, 0.0000168900000000, -0.0001276900000000 ] - [ -0.0027402700000000, 0.0015926600000000, -0.0099259800000000 ] - [ 0.0010605000000000, 0.0003555300000000, 0.0000678400000000 ] - [ -0.0034163000000000, -0.0159404700000000, -0.0079296900000000 ] - [ 0.0009290700000000, -0.0001253100000000, -0.0004059000000000 ] - [ 0.0032823400000000, -0.0499880600000000, -0.0310067100000000 ] - [ 0.0002871700000000, -0.0000310700000000, -0.0000040100000000 ] - [ -0.0002268200000000, 0.0173545400000000, -0.0033776800000000 ] - [ 0.0005847300000000, 0.0004368700000000, -0.0000072800000000 ] - [ -0.0001563800000000, 0.0028408800000000, 0.0000735300000000 ] - [ 0.0011737300000000, 0.0003909700000000, -0.0000471800000000 ] - [ 0.0021927600000000, -0.0259776500000000, 0.0015971800000000 ] - [ 0.0009602300000000, -0.0001628100000000, -0.0000549700000000 ] - [ 0.0012464800000000, 0.0043425600000000, -0.0017584400000000 ] - [ 0.0010890000000000, 0.0002430800000000, -0.0005111000000000 ] - [ 0.0012774800000000, -0.0003458100000000, -0.0003789500000000 ] - [ 0.0051319600000000, -0.0162869300000000, 0.0049979200000000 ] - [ 0.0005956300000000, 0.0005862800000000, -0.0001991900000000 ] - [ 0.0009470700000000, 0.0019606000000000, -0.0012802000000000 ] - [ 0.0005436300000000, -0.0005469400000000, 0.0002202100000000 ] - [ 0.0115258300000000, -0.0093598200000000, -0.0031397600000000 ] - [ 0.0002591000000000, -0.0005163400000000, 0.0001970700000000 ] - [ 0.0010712400000000, -0.0027132200000000, -0.0005765700000000 ] - [ 0.0005890900000000, 0.0002489600000000, -0.0001620000000000 ] - [ -0.0012725000000000, 0.0027296400000000, -0.0033502200000000 ] - [ 0.0022253100000000, 0.0003725300000000, -0.0012569000000000 ] - [ -0.0006859900000000, 0.0046492600000000, -0.0007554200000000 ] - [ 0.0024206100000000, -0.0008479700000000, 0.0008331900000000 ] - [ -0.0028526400000000, -0.0023335800000000, 0.0031324600000000 ] - [ -0.0007893200000000, 0.0008382500000000, -0.0002958300000000 ] - [ 0.0043609200000000, 0.0018761100000000, 0.0009557300000000 ] - [ 0.0006905600000000, -0.0026540500000000, 0.0005922200000000 ] - [ 0.0019245100000000, -0.0017611600000000, 0.0001929500000000 ] - [ 0.0006020700000000, 0.0014764100000000, -0.0017185000000000 ] - [ 0.0007173600000000, 0.0006210500000000, -0.0002848700000000 ] - [ 0.0013765700000000, 0.0000535900000000, 0.0017690200000000 ] - [ -0.0001683800000000, -0.0000227500000000, 0.0002880300000000 ] - [ 0.0002285400000000, 0.0023179500000000, 0.0014961100000000 ] - [ 0.0005552900000000, 0.0007854800000000, 0.0002645200000000 ] - [ -0.0008415600000000, 0.0028507900000000, -0.0007459200000000 ] - [ 0.0007832200000000, 0.0006476600000000, -0.0000860000000000 ] - [ -0.0003314400000000, -0.0023153900000000, -0.0010713900000000 ] - [ 0.0008559800000000, -0.0013068400000000, -0.0000116900000000 ] - [ 0.0089498000000000, 0.0015309500000000, 0.0025612600000000 ] - [ -0.0001116000000000, 0.0006604900000000, 0.0002738600000000 ] - [ -0.0039741500000000, 0.0001704000000000, -0.0015077400000000 ] - [ 0.0021558400000000, 0.0000763400000000, 0.0001175600000000 ] - [ 0.0076001200000000, -0.0002132000000000, 0.0085578400000000 ] - [ 0.0004603800000000, -0.0000335200000000, 0.0000286400000000 ] - [ -0.0042790300000000, -0.0034821600000000, -0.0014072900000000 ] - [ 0.0013265500000000, -0.0002049800000000, 0.0001973900000000 ] - [ 0.0040663200000000, 0.0137223600000000, 0.0004956500000000 ] - [ 0.0008115100000000, 0.0003824800000000, -0.0000921300000000 ] - [ 0.0031457400000000, -0.0085302100000000, -0.0107308800000000 ] - [ 0.0002453800000000, -0.0001160100000000, -0.0000637000000000 ] - [ -0.0010211600000000, -0.0042317900000000, -0.0030340200000000 ] - [ 0.0006046500000000, -0.0001686000000000, 0.0000601000000000 ] - [ -0.0121136400000000, -0.0006707900000000, -0.0097623200000000 ] - [ 0.0011590300000000, 0.0000371700000000, 0.0002391700000000 ] - [ -0.0033446700000000, -0.0231371100000000, -0.0018548900000000 ] - [ 0.0007882100000000, -0.0001214300000000, -0.0000187200000000 ] - [ -0.0025933200000000, 0.0027423100000000, -0.0013542400000000 ] - [ 0.0011427900000000, 0.0004870600000000, -0.0000794100000000 ]- atom: 25 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ -0.0015091000000000, -0.0005785200000000, -0.0008347900000000 ] - [ 0.0007768000000000, 0.0006371600000000, -0.0026964300000000 ] - [ -0.0008455700000000, -0.0002155900000000, 0.0012930900000000 ] - [ -0.0003622200000000, -0.0002467200000000, 0.0011619500000000 ] - [ 0.0011963500000000, -0.0003549500000000, -0.0004049100000000 ] - [ -0.0007493400000000, 0.0004854300000000, 0.0001455300000000 ] - [ 0.0015938400000000, 0.0025884400000000, -0.0031905400000000 ] - [ -0.0005094900000000, 0.0001861400000000, -0.0002159600000000 ] - [ 0.0114266300000000, 0.0073218700000000, 0.0161002700000000 ] - [ -0.0015794100000000, -0.0001206700000000, 0.0005054200000000 ] - [ 0.0138740600000000, 0.0110874800000000, 0.0230784200000000 ] - [ -0.0019025500000000, -0.0003468300000000, 0.0004775400000000 ] - [ -0.0010882800000000, 0.0002709800000000, -0.0001511200000000 ] - [ -0.0003333900000000, 0.0046704100000000, -0.0021140600000000 ] - [ -0.0006589900000000, 0.0001515900000000, 0.0005933700000000 ] - [ -0.0017789000000000, -0.0013774100000000, 0.0025053500000000 ] - [ -0.0005555900000000, -0.0017092500000000, 0.0023362100000000 ] - [ -0.0007609000000000, 0.0004634400000000, 0.0004177800000000 ] - [ 0.0047506500000000, 0.0011864500000000, -0.0040396000000000 ] - [ -0.0025592000000000, -0.0012025900000000, -0.0010461000000000 ] - [ 0.0041562200000000, 0.0014104400000000, 0.0058918900000000 ] - [ -0.0026209700000000, -0.0006007300000000, 0.0012737000000000 ] - [ 0.0103534400000000, -0.0494003300000000, 0.0168870300000000 ] - [ -0.0022873800000000, -0.0000242700000000, -0.0000353700000000 ] - [ 0.0542520900000000, 0.0098289900000000, -0.2462728400000000 ] - [ -0.0031325200000000, -0.0008801200000000, 0.0005247300000000 ] - [ -0.0027022000000000, 0.0016164500000000, 0.0005751700000000 ] - [ 0.0013408700000000, 0.0014398300000000, -0.0018950800000000 ] - [ -0.0020794400000000, -0.0003550900000000, 0.0010491500000000 ] - [ 0.0028975400000000, 0.0024630800000000, 0.0103003300000000 ] - [ -0.0022389400000000, 0.0004595400000000, 0.0008073800000000 ] - [ -0.0547637500000000, 0.0042751400000000, 0.0221043600000000 ] - [ -0.0062896000000000, 0.0079973600000000, -0.0004412300000000 ] - [ 0.0032091300000000, -0.0008793500000000, -0.0014443900000000 ] - [ -0.0000294600000000, 0.0013101700000000, -0.0025292900000000 ] - [ -0.0009846000000000, 0.0008537500000000, -0.0028075400000000 ] - [ 0.0023242000000000, 0.0000059900000000, -0.0004155000000000 ] - [ -0.0056973100000000, 0.0048479700000000, -0.0003742700000000 ] - [ 0.0048947800000000, 0.0071037000000000, 0.0170972700000000 ] - [ -0.0026538800000000, -0.0008564700000000, 0.0001585800000000 ] - [ -0.0799420700000000, -0.0046971200000000, 0.0160920000000000 ] - [ -0.0018899600000000, -0.0004623900000000, 0.0000720900000000 ] - [ 0.0108769600000000, -0.0067323600000000, -0.0170243800000000 ] - [ -0.0031069800000000, -0.0008021700000000, -0.0016562000000000 ] - [ -0.0077350200000000, 0.0071683500000000, 0.0193715300000000 ] - [ 0.0020329900000000, 0.0004935200000000, 0.0000178800000000 ] - [ -0.0030116300000000, -0.0009548600000000, -0.0095065600000000 ] - [ 0.0014407900000000, 0.0003302600000000, -0.0002443400000000 ] - [ 0.0116545300000000, 0.0033604000000000, 0.1126828900000000 ] - [ 0.0014625400000000, 0.0001455900000000, -0.0001485300000000 ] - [ -0.0007324700000000, -0.0103022800000000, 0.0258445100000000 ] - [ 0.0004881600000000, 0.0000894900000000, 0.0000144200000000 ] - [ -0.0014389300000000, 0.0075101400000000, -0.0044243100000000 ] - [ 0.0007965100000000, 0.0002368500000000, -0.0002843600000000 ] - [ -0.0015781500000000, -0.0006522700000000, -0.0053017100000000 ] - [ 0.0015415500000000, 0.0001035000000000, -0.0003905400000000 ] - [ 0.0090056500000000, 0.0060576700000000, 0.0016451600000000 ] - [ 0.0013482600000000, 0.0001442600000000, -0.0000734700000000 ] - [ -0.0011756800000000, -0.0005837700000000, -0.0010056500000000 ] - [ 0.0019687000000000, -0.0000329900000000, -0.0008524500000000 ] - [ 0.0019574000000000, 0.0000126600000000, -0.0000408300000000 ] - [ -0.0126966900000000, 0.0000156100000000, 0.0218656300000000 ] - [ 0.0011591200000000, -0.0000212400000000, -0.0006147900000000 ] - [ -0.0009915800000000, -0.0002717100000000, -0.0019951700000000 ] - [ 0.0012198900000000, -0.0002161300000000, -0.0001644700000000 ] - [ 0.0038907100000000, 0.0075797700000000, -0.0018672200000000 ] - [ 0.0008269900000000, 0.0002695000000000, -0.0007195600000000 ] - [ 0.0000905500000000, -0.0018724700000000, -0.0122851300000000 ] - [ 0.0008070700000000, -0.0001360800000000, -0.0007288500000000 ] - [ -0.0019709800000000, 0.0015890000000000, -0.0035583500000000 ] - [ 0.0010188200000000, -0.0004031800000000, 0.0004244100000000 ] - [ 0.0004019100000000, -0.0003478100000000, 0.0025118500000000 ] - [ 0.0001837500000000, -0.0000644600000000, -0.0002775500000000 ] - [ 0.0047266800000000, -0.0050854300000000, -0.0030391400000000 ] - [ 0.0036204400000000, -0.0019868000000000, -0.0007629000000000 ] - [ -0.0058826100000000, -0.0042503600000000, 0.0000871100000000 ] - [ 0.0009843300000000, 0.0001319000000000, 0.0003568000000000 ] - [ 0.0093107100000000, -0.0030087000000000, -0.0011845500000000 ] - [ 0.0013605200000000, -0.0015006200000000, 0.0005077200000000 ] - [ -0.0006871300000000, -0.0006854200000000, 0.0008855900000000 ] - [ 0.0008582900000000, 0.0003589700000000, -0.0010478700000000 ] - [ 0.0002811700000000, -0.0008321800000000, -0.0020166400000000 ] - [ -0.0004216600000000, -0.0001946500000000, 0.0010673500000000 ] - [ 0.0009658600000000, -0.0009641400000000, 0.0010595800000000 ] - [ 0.0001620800000000, -0.0017068300000000, 0.0023930100000000 ] - [ 0.0005848000000000, 0.0002015900000000, 0.0019217000000000 ] - [ 0.0118102200000000, -0.0057519300000000, 0.0003322200000000 ] - [ 0.0005782700000000, 0.0005278700000000, 0.0005087200000000 ] - [ -0.0004032100000000, 0.0009735100000000, 0.0022532000000000 ] - [ 0.0015689800000000, -0.0010536900000000, 0.0013450100000000 ] - [ -0.0000565700000000, -0.0011617100000000, -0.0028883100000000 ] - [ 0.0015090200000000, 0.0003095400000000, -0.0010808600000000 ] - [ -0.0050775100000000, -0.0015704100000000, 0.0019692100000000 ] - [ 0.0030146300000000, -0.0004599600000000, 0.0005043700000000 ] - [ 0.0061876000000000, -0.0089430600000000, -0.0057191900000000 ] - [ 0.0003939100000000, 0.0001110700000000, -0.0000759200000000 ] - [ -0.0011913500000000, 0.0013628000000000, 0.0012540900000000 ] - [ 0.0011983000000000, -0.0001860800000000, 0.0003722000000000 ] - [ 0.0030971700000000, 0.0115152600000000, 0.0073218300000000 ] - [ 0.0004029800000000, 0.0003505400000000, 0.0004247500000000 ] - [ 0.0020961300000000, -0.0029954400000000, -0.0132443900000000 ] - [ 0.0009314100000000, 0.0003599900000000, -0.0003709700000000 ] - [ -0.0082747400000000, 0.0026336500000000, -0.0072431900000000 ] - [ 0.0017794800000000, 0.0003087800000000, -0.0001746200000000 ] - [ 0.0103736900000000, 0.0037859700000000, 0.0243793000000000 ] - [ 0.0014621800000000, 0.0002136900000000, 0.0006282700000000 ] - [ -0.0032324500000000, -0.0011056900000000, -0.0021712000000000 ] - [ 0.0016920400000000, 0.0002317600000000, -0.0003057100000000 ]- atom: 25 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ 0.0012323900000000, 0.0009072000000000, 0.0008368300000000 ] - [ -0.0010748000000000, -0.0002763000000000, 0.0026598600000000 ] - [ 0.0010390400000000, 0.0004708000000000, -0.0010670100000000 ] - [ 0.0005680800000000, 0.0005066900000000, -0.0009372600000000 ] - [ -0.0013987600000000, 0.0006188700000000, 0.0001932900000000 ] - [ 0.0005526000000000, -0.0002286200000000, -0.0003730100000000 ] - [ -0.0013152100000000, -0.0022384900000000, 0.0031529100000000 ] - [ 0.0007926700000000, 0.0001465700000000, 0.0002161100000000 ] - [ -0.0114021600000000, -0.0074477800000000, -0.0162881900000000 ] - [ 0.0017576400000000, 0.0001414400000000, -0.0005136100000000 ] - [ -0.0139394900000000, -0.0110144200000000, -0.0227612000000000 ] - [ 0.0017217300000000, 0.0002956900000000, -0.0003804300000000 ] - [ 0.0012768300000000, -0.0003219300000000, 0.0000566000000000 ] - [ 0.0004989100000000, -0.0046998800000000, 0.0020962400000000 ] - [ 0.0004828200000000, -0.0001247200000000, -0.0005813200000000 ] - [ 0.0016091500000000, 0.0014012200000000, -0.0024960200000000 ] - [ 0.0005286900000000, 0.0017462200000000, -0.0022398700000000 ] - [ 0.0007441000000000, -0.0004302100000000, -0.0003111000000000 ] - [ -0.0047366200000000, -0.0011298700000000, 0.0039660300000000 ] - [ 0.0025762600000000, 0.0012377500000000, 0.0009527600000000 ] - [ -0.0039088500000000, -0.0013479700000000, -0.0059569800000000 ] - [ 0.0028912300000000, 0.0006900200000000, -0.0013248800000000 ] - [ -0.0103537300000000, 0.0499345200000000, -0.0169482100000000 ] - [ 0.0023248200000000, -0.0001467500000000, -0.0000234200000000 ] - [ -0.0538009700000000, -0.0112179200000000, 0.2382157200000000 ] - [ 0.0026655500000000, 0.0007441700000000, -0.0005984500000000 ] - [ 0.0031834300000000, -0.0017544700000000, -0.0005183700000000 ] - [ -0.0008777900000000, -0.0015801000000000, 0.0019183300000000 ] - [ 0.0020512700000000, 0.0001772900000000, -0.0009812200000000 ] - [ -0.0028828900000000, -0.0026736300000000, -0.0102175200000000 ] - [ 0.0019782000000000, -0.0003754600000000, -0.0007541000000000 ] - [ 0.0553648600000000, -0.0042376900000000, -0.0220174600000000 ] - [ 0.0063112700000000, -0.0081371500000000, 0.0006257700000000 ] - [ -0.0031514400000000, 0.0007102000000000, 0.0016258400000000 ] - [ 0.0001841800000000, -0.0013039500000000, 0.0022627500000000 ] - [ 0.0010842400000000, -0.0008640300000000, 0.0025404300000000 ] - [ -0.0020579700000000, 0.0000336400000000, 0.0002788500000000 ] - [ 0.0059847100000000, -0.0048097300000000, 0.0002402700000000 ] - [ -0.0052322300000000, -0.0070350700000000, -0.0169763700000000 ] - [ 0.0023853300000000, 0.0009113200000000, 0.0000109300000000 ] - [ 0.0793473700000000, 0.0046604200000000, -0.0156906000000000 ] - [ 0.0017786700000000, 0.0004551600000000, 0.0001947900000000 ] - [ -0.0106035600000000, 0.0066828700000000, 0.0168540400000000 ] - [ 0.0030816600000000, 0.0006601000000000, 0.0014614200000000 ] - [ 0.0077689500000000, -0.0071570500000000, -0.0189651200000000 ] - [ -0.0019122600000000, -0.0006252400000000, 0.0000810700000000 ] - [ 0.0031092300000000, 0.0009782300000000, 0.0094386900000000 ] - [ -0.0013689000000000, -0.0002606900000000, 0.0001869000000000 ] - [ -0.0130996300000000, -0.0030571300000000, -0.1039619500000000 ] - [ -0.0016321100000000, -0.0003773600000000, 0.0000908400000000 ] - [ 0.0006691000000000, 0.0098997100000000, -0.0255195600000000 ] - [ -0.0005963900000000, -0.0001442300000000, 0.0001026300000000 ] - [ 0.0015391200000000, -0.0072508800000000, 0.0044311000000000 ] - [ -0.0006928800000000, 0.0000498400000000, 0.0002860800000000 ] - [ 0.0017024600000000, 0.0006704200000000, 0.0052151400000000 ] - [ -0.0014091000000000, -0.0001424800000000, 0.0002786800000000 ] - [ -0.0088376000000000, -0.0058029500000000, -0.0037289200000000 ] - [ -0.0012159800000000, -0.0000051300000000, 0.0002305300000000 ] - [ 0.0012054000000000, 0.0006115300000000, 0.0009239700000000 ] - [ -0.0019534600000000, 0.0000640200000000, 0.0007368900000000 ] - [ -0.0019851100000000, 0.0000205400000000, 0.0001639200000000 ] - [ 0.0121823600000000, 0.0000997100000000, -0.0214984700000000 ] - [ -0.0012983800000000, 0.0001614300000000, 0.0004640900000000 ] - [ 0.0008514900000000, 0.0004203600000000, 0.0018428200000000 ] - [ -0.0013594100000000, 0.0001783800000000, 0.0002785600000000 ] - [ -0.0041041700000000, -0.0076498100000000, 0.0019376900000000 ] - [ -0.0009331300000000, 0.0000233300000000, 0.0007168200000000 ] - [ -0.0002567500000000, 0.0021695800000000, 0.0122380000000000 ] - [ -0.0007025600000000, 0.0000855500000000, 0.0006159900000000 ] - [ 0.0020534200000000, -0.0016114700000000, 0.0034488800000000 ] - [ -0.0008671100000000, 0.0001694700000000, -0.0003541000000000 ] - [ -0.0002167500000000, 0.0001080600000000, -0.0024272200000000 ] - [ -0.0002653400000000, 0.0001354200000000, 0.0003315300000000 ] - [ -0.0048361700000000, 0.0051560000000000, 0.0030422100000000 ] - [ -0.0037451700000000, 0.0018529500000000, 0.0006681700000000 ] - [ 0.0057019300000000, 0.0040879100000000, -0.0001768000000000 ] - [ -0.0009284100000000, -0.0001016900000000, -0.0001648700000000 ] - [ -0.0093117100000000, 0.0030435200000000, 0.0013954800000000 ] - [ -0.0013450400000000, 0.0012961900000000, -0.0007043300000000 ] - [ 0.0006956800000000, 0.0004842500000000, -0.0010834400000000 ] - [ -0.0010106600000000, -0.0004393200000000, 0.0011628300000000 ] - [ -0.0004470600000000, 0.0007565600000000, 0.0021255300000000 ] - [ 0.0002328100000000, 0.0001760000000000, -0.0010022900000000 ] - [ -0.0011582100000000, 0.0009497500000000, -0.0009888700000000 ] - [ -0.0001009600000000, 0.0017537500000000, -0.0023417800000000 ] - [ -0.0005115100000000, -0.0001377200000000, -0.0018693800000000 ] - [ -0.0118775600000000, 0.0055239600000000, -0.0001951700000000 ] - [ -0.0006329800000000, -0.0007389000000000, -0.0003668000000000 ] - [ 0.0001514600000000, -0.0010223300000000, -0.0022446900000000 ] - [ -0.0017649800000000, 0.0009954400000000, -0.0013283400000000 ] - [ 0.0002170500000000, 0.0013069000000000, 0.0030228000000000 ] - [ -0.0013728700000000, -0.0001622200000000, 0.0012066800000000 ] - [ 0.0049597600000000, 0.0017428300000000, -0.0021536300000000 ] - [ -0.0031692600000000, 0.0006122400000000, -0.0006376800000000 ] - [ -0.0059388500000000, 0.0088984700000000, 0.0057195200000000 ] - [ -0.0001979600000000, -0.0001623000000000, 0.0000494300000000 ] - [ 0.0012059600000000, -0.0016414400000000, -0.0013896800000000 ] - [ -0.0011314500000000, -0.0000425400000000, -0.0004940900000000 ] - [ -0.0031568700000000, -0.0114697400000000, -0.0073205500000000 ] - [ -0.0004691400000000, -0.0002960200000000, -0.0004658700000000 ] - [ -0.0018720200000000, 0.0029815900000000, 0.0132665200000000 ] - [ -0.0007447600000000, -0.0003757500000000, 0.0002961400000000 ] - [ 0.0084552800000000, -0.0027647000000000, 0.0071133900000000 ] - [ -0.0016320300000000, -0.0003925000000000, 0.0000527100000000 ] - [ -0.0098746000000000, -0.0038723700000000, -0.0238637500000000 ] - [ -0.0014822400000000, -0.0004098500000000, -0.0004206600000000 ] - [ 0.0032027000000000, 0.0011241200000000, 0.0019881700000000 ] - [ -0.0017458500000000, -0.0002102600000000, 0.0001144600000000 ]- atom: 33 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ -0.0050965600000000, 0.0002231700000000, 0.0003075700000000 ] - [ 0.0017807200000000, 0.0000947300000000, 0.0002540300000000 ] - [ -0.0063346700000000, -0.0012823400000000, 0.0017375900000000 ] - [ 0.0017198900000000, 0.0007750700000000, -0.0005092100000000 ] - [ -0.0016276700000000, 0.0015266500000000, 0.0007687400000000 ] - [ 0.0013439800000000, -0.0005265700000000, -0.0007496400000000 ] - [ 0.0063286500000000, 0.0056933800000000, -0.0048670300000000 ] - [ 0.0031452200000000, 0.0000606500000000, 0.0010463100000000 ] - [ 0.0005248300000000, -0.0023223500000000, 0.0021197100000000 ] - [ 0.0027727000000000, 0.0000724300000000, -0.0010843200000000 ] - [ 0.0055565400000000, -0.0000711400000000, 0.0006311900000000 ] - [ 0.0172655400000000, 0.0122445300000000, -0.0109215600000000 ] - [ 0.0006539100000000, -0.0015616900000000, 0.0009781700000000 ] - [ 0.0023428300000000, 0.0001518100000000, 0.0002412500000000 ] - [ -0.0096863800000000, 0.0007763700000000, -0.0060385200000000 ] - [ 0.0036888000000000, -0.0001208000000000, -0.0004928300000000 ] - [ -0.0086787200000000, 0.0025093400000000, 0.0002351300000000 ] - [ 0.0037351400000000, -0.0005944500000000, 0.0001752200000000 ] - [ -0.0058249600000000, -0.0025520300000000, -0.0056106700000000 ] - [ 0.0034302100000000, 0.0006134200000000, 0.0001694800000000 ] - [ 0.0084067700000000, 0.0052319400000000, -0.0004000000000000 ] - [ 0.0086629900000000, -0.0024323600000000, -0.0084875800000000 ] - [ 0.0063957200000000, -0.0000641800000000, 0.0001892200000000 ] - [ 0.0016721100000000, 0.0013695600000000, -0.0001136600000000 ] - [ 0.0068871100000000, -0.0036151400000000, -0.0062927500000000 ] - [ 0.0045626000000000, 0.0044166000000000, 0.0031528900000000 ] - [ 0.0061829900000000, -0.0720837700000000, 0.0108087400000000 ] - [ 0.0086390000000000, -0.0013269100000000, -0.0030016200000000 ] - [ -0.0070110500000000, -0.0036316000000000, -0.0076510000000000 ] - [ 0.0061119900000000, 0.0001561800000000, 0.0004653900000000 ] - [ -0.0079018000000000, 0.0013708500000000, -0.0002869700000000 ] - [ 0.0071431500000000, -0.0027479800000000, -0.0021618800000000 ] - [ -0.2385162200000000, 0.0482366000000000, -0.0033649600000000 ] - [ 0.0080540200000000, -0.0031667600000000, 0.0016309200000000 ] - [ -0.0275191700000000, 0.0078335800000000, 0.0071331100000000 ] - [ 0.0069829000000000, 0.0000991900000000, -0.0005370100000000 ] - [ -0.0122136700000000, 0.0008193800000000, -0.0043347600000000 ] - [ 0.0073407900000000, -0.0019367000000000, 0.0024229000000000 ] - [ 0.0036800800000000, 0.0067304700000000, 0.0600038400000000 ] - [ 0.0093566300000000, 0.0023232900000000, 0.0018458500000000 ] - [ 0.0099180300000000, -0.0571654400000000, -0.0053666800000000 ] - [ 0.0085448900000000, 0.0003072200000000, -0.0000405700000000 ] - [ -0.0067535800000000, -0.0065756700000000, -0.0073206700000000 ] - [ 0.0063858800000000, 0.0023523800000000, 0.0019187200000000 ] - [ 0.0006556500000000, 0.0024421200000000, 0.0008469900000000 ] - [ -0.0036430200000000, -0.0013316800000000, -0.0001658900000000 ] - [ -0.0043158800000000, -0.0018755400000000, -0.0033535700000000 ] - [ -0.0068114300000000, -0.0001836700000000, 0.0033952200000000 ] - [ -0.0065037100000000, 0.0036914900000000, 0.0041113700000000 ] - [ -0.0075701500000000, -0.0033341100000000, -0.0015963400000000 ] - [ -0.0028019300000000, 0.0008073200000000, 0.0020559100000000 ] - [ -0.0021158800000000, -0.0011879500000000, -0.0022363700000000 ] - [ -0.0013797600000000, -0.0015763000000000, -0.0008019000000000 ] - [ -0.0009701100000000, -0.0001465300000000, 0.0018514000000000 ] - [ -0.0032755400000000, -0.0015234500000000, -0.0002796100000000 ] - [ -0.0009248800000000, 0.0025397900000000, 0.0011750400000000 ] - [ -0.0029069700000000, 0.0012664400000000, 0.0008081400000000 ] - [ 0.0002592700000000, -0.0007171000000000, -0.0001177400000000 ] - [ -0.0064453800000000, -0.0018212100000000, 0.0012014700000000 ] - [ -0.0078261100000000, 0.0045073700000000, 0.0045263400000000 ] - [ 0.0001041700000000, -0.0019503100000000, -0.0035567300000000 ] - [ -0.0046770500000000, 0.0005944100000000, 0.0018263200000000 ] - [ -0.0007546100000000, 0.0072447200000000, 0.0071619300000000 ] - [ -0.0037330500000000, -0.0001745500000000, 0.0003378100000000 ] - [ 0.0027388800000000, -0.0005821700000000, 0.0006445300000000 ] - [ -0.0042426400000000, 0.0009392700000000, 0.0003444400000000 ] - [ 0.0022336900000000, -0.0029095800000000, 0.0053742400000000 ] - [ -0.0022585900000000, 0.0007396900000000, 0.0002141000000000 ] - [ 0.0044125200000000, 0.0119719600000000, 0.0051077400000000 ] - [ -0.0014333500000000, 0.0000871000000000, 0.0003449200000000 ] - [ 0.0122198100000000, 0.0033265500000000, -0.0130197200000000 ] - [ -0.0041154400000000, 0.0001293500000000, 0.0013935100000000 ] - [ 0.0052127200000000, -0.0002236700000000, 0.0022911800000000 ] - [ -0.0036376900000000, 0.0010288700000000, -0.0002110500000000 ] - [ 0.1096535200000000, 0.0110349300000000, -0.0081200800000000 ] - [ -0.0057895800000000, 0.0011689100000000, 0.0005153600000000 ] - [ 0.0077055500000000, 0.0005683600000000, 0.0003488000000000 ] - [ -0.0047875500000000, 0.0008834500000000, 0.0001037000000000 ] - [ 0.0244979500000000, 0.0095206400000000, -0.0051768800000000 ] - [ -0.0035953500000000, 0.0006027400000000, -0.0000380500000000 ] - [ 0.0081030100000000, 0.0006078800000000, 0.0019557000000000 ] - [ -0.0040226000000000, 0.0002759500000000, -0.0006561700000000 ] - [ 0.0039677900000000, -0.0007510100000000, -0.0010767700000000 ] - [ -0.0021123500000000, 0.0003648000000000, -0.0002945900000000 ] - [ 0.0204837000000000, -0.0061699800000000, -0.0059681200000000 ] - [ -0.0015795300000000, 0.0005448100000000, -0.0002959900000000 ] - [ 0.0246604800000000, -0.0117232700000000, -0.0006051600000000 ] - [ -0.0044580900000000, 0.0010843200000000, -0.0002743800000000 ] - [ 0.0066159700000000, 0.0014589900000000, 0.0010208100000000 ] - [ -0.0033232100000000, -0.0001249900000000, -0.0009734600000000 ] - [ 0.0349948400000000, -0.0010845000000000, 0.0054431700000000 ] - [ -0.0053027800000000, 0.0001855600000000, -0.0004838700000000 ] - [ 0.0066441900000000, 0.0008498000000000, 0.0014549900000000 ] - [ -0.0044978300000000, 0.0001029100000000, -0.0007147200000000 ] - [ 0.0198170400000000, 0.0135734300000000, -0.0141097700000000 ] - [ -0.0038691500000000, 0.0000123500000000, -0.0009883000000000 ] - [ 0.0078416800000000, -0.0000198400000000, 0.0019517700000000 ] - [ -0.0039554100000000, -0.0010315500000000, -0.0004744700000000 ] - [ 0.0027810000000000, 0.0115716600000000, 0.0038848600000000 ] - [ -0.0017535100000000, -0.0006978500000000, -0.0006339900000000 ] - [ 0.0007945200000000, 0.0071572300000000, -0.0070626400000000 ] - [ -0.0019688100000000, -0.0006218300000000, -0.0000125100000000 ] - [ -0.0008304200000000, -0.0000291800000000, -0.0091793000000000 ] - [ -0.0033153200000000, -0.0005447200000000, 0.0002520700000000 ] - [ -0.0005129200000000, 0.0057390800000000, 0.0058737700000000 ] - [ -0.0028434900000000, -0.0008029500000000, -0.0005110500000000 ] - [ -0.0023630900000000, -0.0071557400000000, -0.0037357900000000 ] - [ -0.0052259600000000, -0.0005399100000000, 0.0003052800000000 ]- atom: 33 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ 0.0048562900000000, 0.0001192100000000, -0.0002890200000000 ] - [ -0.0020540800000000, 0.0002234900000000, -0.0002628200000000 ] - [ 0.0065245500000000, 0.0015663900000000, -0.0015803600000000 ] - [ -0.0015233800000000, -0.0005154800000000, 0.0007337200000000 ] - [ 0.0014131900000000, -0.0012614600000000, -0.0009816600000000 ] - [ -0.0015352300000000, 0.0007841600000000, 0.0005217300000000 ] - [ -0.0059588900000000, -0.0052955900000000, 0.0047877000000000 ] - [ -0.0028688200000000, 0.0002622800000000, -0.0010340000000000 ] - [ -0.0003518800000000, 0.0023449900000000, -0.0021155300000000 ] - [ -0.0025827300000000, -0.0000532400000000, 0.0010818000000000 ] - [ -0.0057290200000000, 0.0000111200000000, -0.0005306100000000 ] - [ -0.0176488700000000, -0.0124116800000000, 0.0111506300000000 ] - [ -0.0004563400000000, 0.0015060100000000, -0.0010770500000000 ] - [ -0.0021614800000000, -0.0001965500000000, -0.0003391400000000 ] - [ 0.0095303200000000, -0.0007352100000000, 0.0060889300000000 ] - [ -0.0038648100000000, 0.0001442600000000, 0.0004919800000000 ] - [ 0.0085958900000000, -0.0024612800000000, -0.0001133800000000 ] - [ -0.0037557300000000, 0.0006257800000000, -0.0000761900000000 ] - [ 0.0057423600000000, 0.0026134500000000, 0.0055679100000000 ] - [ -0.0033976300000000, -0.0005801400000000, -0.0002665500000000 ] - [ -0.0080983200000000, -0.0051322300000000, 0.0003993300000000 ] - [ -0.0083778000000000, 0.0025334900000000, 0.0084415200000000 ] - [ -0.0063451400000000, -0.0001322900000000, -0.0003072700000000 ] - [ -0.0016135000000000, -0.0015553900000000, -0.0000011600000000 ] - [ -0.0074015300000000, 0.0034312500000000, 0.0062141600000000 ] - [ -0.0050714100000000, -0.0045741500000000, -0.0032703400000000 ] - [ -0.0057859500000000, 0.0723738900000000, -0.0107595400000000 ] - [ -0.0080934200000000, 0.0011850200000000, 0.0030749700000000 ] - [ 0.0070130700000000, 0.0034117300000000, 0.0077217100000000 ] - [ -0.0061316200000000, -0.0003439100000000, -0.0003554800000000 ] - [ 0.0076839500000000, -0.0012744400000000, 0.0002997000000000 ] - [ -0.0074057100000000, 0.0028195100000000, 0.0021919100000000 ] - [ 0.2455198400000000, -0.0493092200000000, 0.0015986100000000 ] - [ -0.0080000700000000, 0.0030699100000000, -0.0014148800000000 ] - [ 0.0275420400000000, -0.0082872100000000, -0.0073379600000000 ] - [ -0.0068691800000000, -0.0001054100000000, 0.0002746900000000 ] - [ 0.0124688900000000, -0.0007936600000000, 0.0041910400000000 ] - [ -0.0070498000000000, 0.0019908700000000, -0.0025848800000000 ] - [ -0.0038058900000000, -0.0066815000000000, -0.0590965900000000 ] - [ -0.0096240600000000, -0.0022569600000000, -0.0016706700000000 ] - [ -0.0100727700000000, 0.0563589800000000, 0.0056000600000000 ] - [ -0.0086486900000000, -0.0003157300000000, 0.0003032700000000 ] - [ 0.0066506800000000, 0.0064560000000000, 0.0070596000000000 ] - [ -0.0064101700000000, -0.0024443500000000, -0.0021308400000000 ] - [ -0.0004681600000000, -0.0025950600000000, -0.0007589800000000 ] - [ 0.0037926300000000, 0.0011756200000000, 0.0002545600000000 ] - [ 0.0044475500000000, 0.0019264700000000, 0.0032570900000000 ] - [ 0.0069413700000000, 0.0002118700000000, -0.0034952700000000 ] - [ 0.0064162100000000, -0.0038581000000000, -0.0041540500000000 ] - [ 0.0074559200000000, 0.0031309900000000, 0.0015824900000000 ] - [ 0.0026535500000000, -0.0008016600000000, -0.0018695300000000 ] - [ 0.0019998400000000, 0.0011684700000000, 0.0024250800000000 ] - [ 0.0014811200000000, 0.0018934500000000, 0.0008131900000000 ] - [ 0.0010653400000000, 0.0004624600000000, -0.0018286900000000 ] - [ 0.0033916100000000, 0.0015013200000000, 0.0001706400000000 ] - [ 0.0010319100000000, -0.0025510700000000, -0.0012791200000000 ] - [ 0.0030333400000000, -0.0011269400000000, -0.0006679500000000 ] - [ -0.0001461900000000, 0.0008442000000000, 0.0002674500000000 ] - [ 0.0063795900000000, 0.0018179500000000, -0.0013590200000000 ] - [ 0.0077337200000000, -0.0045124200000000, -0.0046460100000000 ] - [ -0.0001037100000000, 0.0019920600000000, 0.0037442900000000 ] - [ 0.0047013500000000, -0.0005759200000000, -0.0016822600000000 ] - [ 0.0006173000000000, -0.0071530700000000, -0.0072952900000000 ] - [ 0.0035976200000000, 0.0002986900000000, -0.0004810900000000 ] - [ -0.0029022800000000, 0.0005556700000000, -0.0005434700000000 ] - [ 0.0041061300000000, -0.0009456400000000, -0.0002386900000000 ] - [ -0.0023576200000000, 0.0032927000000000, -0.0054076300000000 ] - [ 0.0021511200000000, -0.0004127000000000, -0.0002331300000000 ] - [ -0.0043123600000000, -0.0119926800000000, -0.0052632900000000 ] - [ 0.0015518100000000, -0.0001081300000000, -0.0005150500000000 ] - [ -0.0121301900000000, -0.0035432600000000, 0.0130457600000000 ] - [ 0.0042436200000000, -0.0003511900000000, -0.0013629800000000 ] - [ -0.0053408900000000, 0.0002790700000000, -0.0022061800000000 ] - [ 0.0035133500000000, -0.0009847500000000, 0.0002956500000000 ] - [ -0.1185178400000000, -0.0098386500000000, 0.0090636400000000 ] - [ 0.0056076500000000, -0.0013266000000000, -0.0006003000000000 ] - [ -0.0076564600000000, -0.0005311000000000, -0.0001701100000000 ] - [ 0.0048461600000000, -0.0008382500000000, 0.0000890300000000 ] - [ -0.0247896500000000, -0.0103482900000000, 0.0051504100000000 ] - [ 0.0036274000000000, -0.0007741000000000, -0.0001420900000000 ] - [ -0.0082340900000000, -0.0006921600000000, -0.0018769200000000 ] - [ 0.0038810800000000, -0.0003547700000000, 0.0007343600000000 ] - [ -0.0041367800000000, 0.0007620400000000, 0.0010705100000000 ] - [ 0.0019201100000000, -0.0003988300000000, 0.0003442500000000 ] - [ -0.0206618400000000, 0.0063348400000000, 0.0061674100000000 ] - [ 0.0016553500000000, -0.0005196600000000, 0.0003161700000000 ] - [ -0.0250288100000000, 0.0120664800000000, 0.0007595200000000 ] - [ 0.0043493200000000, -0.0013724400000000, 0.0003997600000000 ] - [ -0.0068076100000000, -0.0014338200000000, -0.0009590500000000 ] - [ 0.0030954200000000, 0.0001006500000000, 0.0010377300000000 ] - [ -0.0350465000000000, 0.0012188800000000, -0.0056353100000000 ] - [ 0.0053978000000000, -0.0000406300000000, 0.0006222700000000 ] - [ -0.0067168100000000, -0.0007010600000000, -0.0015926000000000 ] - [ 0.0043793900000000, 0.0000427900000000, 0.0005780300000000 ] - [ -0.0166196900000000, -0.0136131000000000, 0.0142993500000000 ] - [ 0.0040882100000000, -0.0000363500000000, 0.0009174700000000 ] - [ -0.0076335700000000, -0.0002348900000000, -0.0020559200000000 ] - [ 0.0040486800000000, 0.0007472800000000, 0.0003485300000000 ] - [ -0.0028671400000000, -0.0114873500000000, -0.0038745900000000 ] - [ 0.0016725100000000, 0.0007197200000000, 0.0006078300000000 ] - [ -0.0005570900000000, -0.0071104000000000, 0.0070026400000000 ] - [ 0.0021531000000000, 0.0005844900000000, -0.0000375000000000 ] - [ 0.0009538000000000, -0.0000370200000000, 0.0090094300000000 ] - [ 0.0034424100000000, 0.0004643200000000, -0.0003324300000000 ] - [ 0.0005289700000000, -0.0058778900000000, -0.0056916100000000 ] - [ 0.0027976700000000, 0.0006269200000000, 0.0006912100000000 ] - [ 0.0022964200000000, 0.0071661200000000, 0.0034880900000000 ] - [ 0.0051406200000000, 0.0005797700000000, -0.0004967700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0072926600000000, 0.0126668100000000, 0.0062327100000000 ] - [ -0.0010655600000000, 0.0004038900000000, -0.0001805100000000 ] - [ 0.0022668100000000, 0.0047364200000000, -0.0162223400000000 ] - [ -0.0005495400000000, -0.0001273400000000, 0.0003540900000000 ] - [ 0.0012987400000000, -0.0004741300000000, -0.0009004200000000 ] - [ -0.0007801200000000, 0.0004067000000000, 0.0002610500000000 ] - [ 0.0026057400000000, -0.0020954500000000, 0.0007836800000000 ] - [ -0.0012264100000000, -0.0003542500000000, -0.0006609000000000 ] - [ -0.0002742200000000, 0.0027380600000000, -0.0020353000000000 ] - [ -0.0008225000000000, 0.0005001000000000, 0.0005149600000000 ] - [ -0.0028635200000000, -0.0014858300000000, -0.0012112500000000 ] - [ 0.0026454700000000, -0.0047395300000000, 0.0001151900000000 ] - [ -0.0018080000000000, 0.0023977400000000, -0.0014034000000000 ] - [ -0.0003387900000000, 0.0004312000000000, -0.0000897600000000 ] - [ 0.0002964500000000, -0.0029781200000000, 0.0037130400000000 ] - [ -0.0014148300000000, -0.0001191400000000, 0.0002785400000000 ] - [ 0.0116300900000000, 0.0166658800000000, 0.0078412300000000 ] - [ -0.0016731600000000, 0.0005319900000000, -0.0001274400000000 ] - [ 0.0028280900000000, -0.0057639200000000, 0.0047302400000000 ] - [ -0.0012620500000000, -0.0003896400000000, -0.0000382600000000 ] - [ 0.0017469200000000, -0.0008235500000000, 0.0001743500000000 ] - [ -0.0056295900000000, 0.0000558800000000, 0.0059281900000000 ] - [ -0.0004239000000000, -0.0022863800000000, 0.0006539100000000 ] - [ -0.0010539900000000, -0.0028630100000000, 0.0007922600000000 ] - [ -0.0067577500000000, 0.0007172100000000, 0.0079952600000000 ] - [ 0.0023852300000000, -0.0013716600000000, -0.0008032800000000 ] - [ -0.0454317300000000, 0.0162631800000000, 0.0064772200000000 ] - [ -0.0015853600000000, 0.0004267600000000, 0.0007612900000000 ] - [ 0.0027237300000000, 0.0105030400000000, 0.0039682300000000 ] - [ -0.0021108200000000, 0.0009433400000000, -0.0000344900000000 ] - [ 0.0008572600000000, -0.0011313400000000, 0.0015796300000000 ] - [ -0.0035497800000000, 0.0007705700000000, 0.0020234800000000 ] - [ 0.0482968600000000, -0.2493802300000000, 0.0273576300000000 ] - [ -0.0031026600000000, 0.0006401000000000, -0.0005583600000000 ] - [ 0.0117191000000000, 0.0211969100000000, -0.0618144600000000 ] - [ -0.0024545600000000, -0.0000584700000000, -0.0000531100000000 ] - [ 0.0041836900000000, 0.0072267500000000, -0.0010324300000000 ] - [ -0.0027218200000000, 0.0011853900000000, -0.0008924000000000 ] - [ 0.0055568400000000, -0.0161826800000000, -0.0072697000000000 ] - [ -0.0036985400000000, -0.0019785300000000, -0.0006728500000000 ] - [ -0.0812469000000000, 0.0160901500000000, -0.0000358400000000 ] - [ -0.0020089400000000, -0.0000679300000000, -0.0002535600000000 ] - [ 0.0065250000000000, 0.0175685300000000, 0.0082328700000000 ] - [ -0.0024228300000000, -0.0002592300000000, -0.0007991400000000 ] - [ -0.0011743200000000, -0.0035886300000000, -0.0007862700000000 ] - [ 0.0015551000000000, -0.0009932300000000, -0.0000116300000000 ] - [ 0.0009269600000000, 0.0026519700000000, 0.0012896400000000 ] - [ 0.0020400100000000, 0.0014751400000000, -0.0010605900000000 ] - [ 0.0130705400000000, 0.0019547100000000, -0.0054536900000000 ] - [ 0.0008080900000000, 0.0007048800000000, 0.0006745900000000 ] - [ 0.0000719300000000, 0.0021024700000000, -0.0014216400000000 ] - [ 0.0004798800000000, 0.0017041100000000, -0.0000126900000000 ] - [ -0.0003038500000000, 0.0014873200000000, 0.0000270100000000 ] - [ 0.0012225800000000, 0.0014751500000000, -0.0010676700000000 ] - [ 0.0009815600000000, -0.0009257000000000, 0.0001529900000000 ] - [ 0.0005491600000000, -0.0022239200000000, -0.0007707200000000 ] - [ 0.0016498900000000, 0.0003321400000000, -0.0009383000000000 ] - [ -0.0006836900000000, 0.0008357200000000, -0.0003679900000000 ] - [ 0.0007355000000000, 0.0003874700000000, -0.0003312900000000 ] - [ 0.0094680200000000, 0.0005400500000000, -0.0050986900000000 ] - [ -0.0043370100000000, 0.0000631200000000, -0.0035704900000000 ] - [ 0.0036186300000000, -0.0005048800000000, -0.0020541700000000 ] - [ 0.0039435000000000, -0.0029295400000000, -0.0043543500000000 ] - [ 0.0003770200000000, -0.0000972100000000, -0.0002444900000000 ] - [ 0.0000753600000000, 0.0022581200000000, 0.0000832700000000 ] - [ 0.0010474500000000, 0.0003954600000000, -0.0001585200000000 ] - [ -0.0036383200000000, -0.0036691100000000, 0.0023932100000000 ] - [ 0.0010705100000000, -0.0005335900000000, -0.0000858800000000 ] - [ 0.0008078600000000, -0.0116013000000000, -0.0036583500000000 ] - [ 0.0006339800000000, -0.0006077900000000, -0.0001986700000000 ] - [ 0.0051608400000000, -0.0022004800000000, 0.0062720000000000 ] - [ 0.0014119500000000, -0.0002641900000000, -0.0003211100000000 ] - [ -0.0008414300000000, -0.0021793300000000, -0.0003654800000000 ] - [ 0.0012975700000000, -0.0007196700000000, -0.0000078400000000 ] - [ -0.0132883400000000, 0.0185726700000000, 0.0002812500000000 ] - [ 0.0021819700000000, 0.0001119500000000, -0.0001943900000000 ] - [ -0.0014627100000000, -0.0010401800000000, 0.0005839500000000 ] - [ 0.0021573600000000, -0.0004547300000000, -0.0000391600000000 ] - [ 0.0082409100000000, 0.0094869800000000, 0.0114440600000000 ] - [ 0.0012351800000000, -0.0002070000000000, -0.0000324500000000 ] - [ -0.0023688700000000, -0.0064529900000000, 0.0011223300000000 ] - [ 0.0014170900000000, -0.0003377500000000, 0.0001906800000000 ] - [ -0.0015626000000000, -0.0043620700000000, 0.0091919400000000 ] - [ 0.0006708100000000, -0.0002772600000000, 0.0001043000000000 ] - [ -0.0029112200000000, 0.0278873600000000, -0.0069256000000000 ] - [ 0.0006508800000000, 0.0000038200000000, 0.0001145100000000 ] - [ 0.0159512300000000, 0.1152744900000000, -0.0031935800000000 ] - [ 0.0014353800000000, -0.0003354500000000, 0.0002467100000000 ] - [ -0.0036165200000000, -0.0100604200000000, 0.0012155300000000 ] - [ 0.0011084300000000, -0.0001648100000000, 0.0003712400000000 ] - [ -0.0052650800000000, 0.0208037400000000, 0.0065420000000000 ] - [ 0.0021333700000000, 0.0002298600000000, 0.0003695400000000 ] - [ -0.0038655600000000, -0.0021909600000000, -0.0005211700000000 ] - [ 0.0017129700000000, -0.0001072200000000, 0.0000509300000000 ] - [ 0.0099939900000000, 0.0244361400000000, 0.0065729900000000 ] - [ 0.0016206000000000, 0.0004079600000000, 0.0004853100000000 ] - [ -0.0098644200000000, -0.0089348900000000, 0.0029454600000000 ] - [ 0.0017026000000000, -0.0000557500000000, 0.0001585100000000 ] - [ 0.0017045500000000, -0.0155648000000000, -0.0052176600000000 ] - [ 0.0006015600000000, -0.0001814900000000, 0.0002827200000000 ] - [ 0.0050694400000000, 0.0054214900000000, 0.0107055700000000 ] - [ 0.0007519100000000, 0.0004367000000000, 0.0002190700000000 ] - [ -0.0012452500000000, 0.0013859500000000, 0.0029014600000000 ] - [ 0.0013520600000000, 0.0004413200000000, -0.0002644900000000 ] - [ 0.0061099700000000, -0.0041060600000000, -0.0095663500000000 ] - [ 0.0004505600000000, -0.0000502200000000, 0.0002575300000000 ] - [ -0.0046321400000000, 0.0036521900000000, -0.0019716400000000 ] - [ 0.0032238100000000, 0.0008658900000000, -0.0006631100000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0076164300000000, -0.0124443600000000, -0.0062940100000000 ] - [ 0.0007880300000000, -0.0000855300000000, 0.0001718500000000 ] - [ -0.0020485200000000, -0.0045145900000000, 0.0166211400000000 ] - [ 0.0007421700000000, 0.0003850100000000, -0.0001281700000000 ] - [ -0.0014867800000000, 0.0007189200000000, 0.0006700300000000 ] - [ 0.0005830300000000, -0.0001484100000000, -0.0004853800000000 ] - [ -0.0023281500000000, 0.0023927500000000, -0.0007872400000000 ] - [ 0.0015005900000000, 0.0006646800000000, 0.0006687800000000 ] - [ 0.0004578600000000, -0.0026978800000000, 0.0020239400000000 ] - [ 0.0009960600000000, -0.0004753500000000, -0.0005146700000000 ] - [ 0.0026727300000000, 0.0014293400000000, 0.0013116100000000 ] - [ -0.0027978300000000, 0.0047421000000000, -0.0000592000000000 ] - [ 0.0019783100000000, -0.0024434000000000, 0.0012995700000000 ] - [ 0.0005234900000000, -0.0004843600000000, -0.0000136600000000 ] - [ -0.0004770100000000, 0.0029243400000000, -0.0037254300000000 ] - [ 0.0012274500000000, 0.0001400700000000, -0.0002772400000000 ] - [ -0.0114950800000000, -0.0164200200000000, -0.0075908200000000 ] - [ 0.0016368900000000, -0.0004973400000000, 0.0002243900000000 ] - [ -0.0027986900000000, 0.0058513300000000, -0.0048399000000000 ] - [ 0.0012862000000000, 0.0004209300000000, -0.0000589000000000 ] - [ -0.0014582700000000, 0.0008906100000000, -0.0001891900000000 ] - [ 0.0058730400000000, -0.0000075300000000, -0.0059184700000000 ] - [ 0.0004230800000000, 0.0020833600000000, -0.0007595800000000 ] - [ 0.0010899400000000, 0.0026605600000000, -0.0008933800000000 ] - [ 0.0062376400000000, -0.0008422900000000, -0.0080534800000000 ] - [ -0.0029195300000000, 0.0012508500000000, 0.0007499600000000 ] - [ 0.0453071500000000, -0.0165563500000000, -0.0063383900000000 ] - [ 0.0020972100000000, -0.0005714200000000, -0.0006767300000000 ] - [ -0.0027977800000000, -0.0106829300000000, -0.0038222700000000 ] - [ 0.0020756900000000, -0.0011320200000000, 0.0001420800000000 ] - [ -0.0011135600000000, 0.0012571400000000, -0.0015530500000000 ] - [ 0.0032666200000000, -0.0006821300000000, -0.0019922300000000 ] - [ -0.0492621300000000, 0.2578868700000000, -0.0267248800000000 ] - [ 0.0031346800000000, -0.0007325400000000, 0.0007708100000000 ] - [ -0.0115762000000000, -0.0211223600000000, 0.0606975000000000 ] - [ 0.0025468300000000, 0.0000483700000000, -0.0002052600000000 ] - [ -0.0038895900000000, -0.0071235200000000, 0.0008971800000000 ] - [ 0.0029898200000000, -0.0011245700000000, 0.0007222600000000 ] - [ -0.0060500400000000, 0.0161497200000000, 0.0073523400000000 ] - [ 0.0034209200000000, 0.0020226200000000, 0.0008395500000000 ] - [ 0.0815491300000000, -0.0162419900000000, 0.0003329400000000 ] - [ 0.0019143700000000, 0.0000653000000000, 0.0005126500000000 ] - [ -0.0065112400000000, -0.0175906100000000, -0.0084415200000000 ] - [ 0.0023735300000000, 0.0001643500000000, 0.0005855700000000 ] - [ 0.0013225500000000, 0.0034108800000000, 0.0008734000000000 ] - [ -0.0013826700000000, 0.0008278700000000, 0.0000970900000000 ] - [ -0.0007767400000000, -0.0025961000000000, -0.0013828100000000 ] - [ -0.0019323400000000, -0.0014148800000000, 0.0009843300000000 ] - [ -0.0131716900000000, -0.0021801300000000, 0.0054109300000000 ] - [ -0.0009633600000000, -0.0009489100000000, -0.0007213800000000 ] - [ -0.0001865600000000, -0.0021215200000000, 0.0015840800000000 ] - [ -0.0006061700000000, -0.0017271700000000, 0.0001670900000000 ] - [ 0.0004062400000000, -0.0011517900000000, -0.0000082900000000 ] - [ -0.0011112100000000, -0.0011392300000000, 0.0010793700000000 ] - [ -0.0008610100000000, 0.0009113300000000, -0.0002583200000000 ] - [ -0.0004145100000000, 0.0022154300000000, 0.0006594200000000 ] - [ -0.0015163400000000, -0.0002084800000000, 0.0010813000000000 ] - [ 0.0008177400000000, -0.0007145300000000, 0.0005102000000000 ] - [ -0.0007640200000000, -0.0003712400000000, 0.0001783000000000 ] - [ -0.0094200000000000, -0.0005155100000000, 0.0049212300000000 ] - [ 0.0044047400000000, -0.0000556300000000, 0.0037486400000000 ] - [ -0.0035881000000000, 0.0005182500000000, 0.0021974700000000 ] - [ -0.0040325000000000, 0.0030977500000000, 0.0041984500000000 ] - [ -0.0005026600000000, 0.0002248200000000, 0.0000993200000000 ] - [ -0.0002160900000000, -0.0022889800000000, 0.0000291000000000 ] - [ -0.0011613200000000, -0.0004126900000000, 0.0002627600000000 ] - [ 0.0035639700000000, 0.0039705800000000, -0.0024296600000000 ] - [ -0.0011711600000000, 0.0008558000000000, 0.0000674400000000 ] - [ -0.0006251000000000, 0.0116116000000000, 0.0034795900000000 ] - [ -0.0005106900000000, 0.0005855800000000, 0.0000287200000000 ] - [ -0.0049585600000000, 0.0020076100000000, -0.0061841100000000 ] - [ -0.0012714100000000, 0.0000428200000000, 0.0003472100000000 ] - [ 0.0007263500000000, 0.0022118600000000, 0.0004425600000000 ] - [ -0.0014118400000000, 0.0007590900000000, 0.0000937700000000 ] - [ 0.0135740400000000, -0.0191239000000000, -0.0004719700000000 ] - [ -0.0023458100000000, -0.0002722100000000, 0.0001074700000000 ] - [ 0.0015119700000000, 0.0010326600000000, -0.0003995100000000 ] - [ -0.0020842800000000, 0.0004938800000000, 0.0002327200000000 ] - [ -0.0081779500000000, -0.0071147500000000, -0.0116891100000000 ] - [ -0.0011902200000000, 0.0000336800000000, -0.0001484600000000 ] - [ 0.0022472500000000, 0.0063419900000000, -0.0010928900000000 ] - [ -0.0015452800000000, 0.0002565700000000, -0.0001092700000000 ] - [ 0.0013806100000000, 0.0043044400000000, -0.0090783600000000 ] - [ -0.0008554400000000, 0.0002427900000000, -0.0000540300000000 ] - [ 0.0029567200000000, -0.0280648100000000, 0.0072956300000000 ] - [ -0.0005692800000000, 0.0000211500000000, -0.0000940900000000 ] - [ -0.0148563000000000, -0.1251910700000000, 0.0035628400000000 ] - [ -0.0015364500000000, 0.0000463000000000, -0.0001211200000000 ] - [ 0.0033800900000000, 0.0100611900000000, -0.0011105700000000 ] - [ -0.0013250700000000, 0.0001396500000000, -0.0003044300000000 ] - [ 0.0053916500000000, -0.0209303500000000, -0.0066415400000000 ] - [ -0.0020230200000000, -0.0000833400000000, -0.0002281300000000 ] - [ 0.0037364100000000, 0.0023207300000000, 0.0003832700000000 ] - [ -0.0018150300000000, 0.0002512100000000, -0.0001883600000000 ] - [ -0.0103802600000000, -0.0248065500000000, -0.0067876900000000 ] - [ -0.0013931900000000, -0.0004289600000000, -0.0005509700000000 ] - [ 0.0099305500000000, 0.0086393500000000, -0.0030137300000000 ] - [ -0.0015941800000000, -0.0002255400000000, -0.0002828300000000 ] - [ -0.0018200800000000, 0.0154459800000000, 0.0051779400000000 ] - [ -0.0006775600000000, 0.0001946500000000, -0.0003089500000000 ] - [ -0.0048901800000000, -0.0054962200000000, -0.0107056900000000 ] - [ -0.0005628400000000, -0.0004725800000000, -0.0002639200000000 ] - [ 0.0014193300000000, -0.0014491700000000, -0.0029531200000000 ] - [ -0.0012159400000000, -0.0005193300000000, 0.0001854400000000 ] - [ -0.0061815400000000, 0.0039003000000000, 0.0097109200000000 ] - [ -0.0004875300000000, -0.0001288900000000, -0.0000817800000000 ] - [ 0.0045231700000000, -0.0035398000000000, 0.0017518400000000 ] - [ -0.0032754700000000, -0.0008112400000000, 0.0004641500000000 ]- atom: 33 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ 0.0006681600000000, 0.0011668200000000, -0.0018867700000000 ] - [ 0.0000591400000000, 0.0002129300000000, -0.0001114500000000 ] - [ -0.0006863800000000, -0.0128417900000000, 0.0056575000000000 ] - [ 0.0003981300000000, 0.0002180500000000, 0.0000248300000000 ] - [ -0.0016545800000000, 0.0012583100000000, 0.0032464800000000 ] - [ 0.0002087300000000, 0.0000403200000000, -0.0001275300000000 ] - [ -0.0031303100000000, 0.0010738000000000, -0.0027529900000000 ] - [ 0.0005703900000000, 0.0002759300000000, -0.0001171900000000 ] - [ -0.0002595200000000, -0.0016523200000000, 0.0026248400000000 ] - [ 0.0005016000000000, 0.0000978500000000, 0.0002665600000000 ] - [ 0.0013286000000000, -0.0007476600000000, -0.0010898700000000 ] - [ -0.0062852300000000, -0.0021799700000000, -0.0005084000000000 ] - [ 0.0022287100000000, -0.0009059600000000, 0.0015667600000000 ] - [ -0.0006636700000000, 0.0006200600000000, 0.0008439800000000 ] - [ -0.0090314000000000, 0.0096079800000000, 0.0169635000000000 ] - [ 0.0008364900000000, -0.0000427600000000, 0.0001876200000000 ] - [ -0.0020996200000000, 0.0042639000000000, -0.0042736300000000 ] - [ 0.0006332700000000, 0.0000133300000000, -0.0000508500000000 ] - [ -0.0121085100000000, 0.0102097600000000, 0.0184807400000000 ] - [ 0.0006786000000000, 0.0000197600000000, 0.0000707100000000 ] - [ 0.0058297500000000, 0.0041560700000000, -0.0007573700000000 ] - [ -0.0010217100000000, 0.0003866400000000, -0.0007122500000000 ] - [ 0.0019877900000000, -0.0009669300000000, 0.0048604700000000 ] - [ 0.0011812100000000, -0.0001476300000000, 0.0016206300000000 ] - [ -0.0034074900000000, -0.0029006300000000, -0.0005307700000000 ] - [ 0.0037587100000000, -0.0000718100000000, -0.0015464600000000 ] - [ 0.0068777100000000, 0.0075951500000000, -0.0169138300000000 ] - [ 0.0018757700000000, -0.0001136100000000, -0.0014981100000000 ] - [ 0.0006561700000000, -0.0016273200000000, -0.0004705300000000 ] - [ 0.0016779300000000, 0.0005891400000000, 0.0001408700000000 ] - [ 0.0020536700000000, -0.0008600400000000, 0.0076830300000000 ] - [ 0.0008201400000000, -0.0011018300000000, 0.0011716600000000 ] - [ -0.0016585600000000, 0.0258819800000000, -0.1768031700000000 ] - [ 0.0014891200000000, -0.0007194300000000, 0.0000657700000000 ] - [ 0.0019131500000000, -0.0815530700000000, 0.0155978500000000 ] - [ 0.0013356300000000, 0.0001665900000000, -0.0002900300000000 ] - [ 0.0002809300000000, -0.0039007500000000, 0.0088915100000000 ] - [ 0.0014314800000000, -0.0001890900000000, 0.0007570100000000 ] - [ 0.0681766100000000, 0.0004109400000000, 0.0117043700000000 ] - [ 0.0006859300000000, 0.0001485600000000, 0.0005403500000000 ] - [ 0.0008400600000000, -0.0082059700000000, -0.0172542100000000 ] - [ 0.0011692600000000, -0.0002430900000000, -0.0003941900000000 ] - [ -0.0071489800000000, -0.0083472800000000, -0.0029602600000000 ] - [ 0.0019761000000000, 0.0006040700000000, 0.0000724000000000 ] - [ 0.0041113000000000, 0.0017419800000000, -0.0004719500000000 ] - [ -0.0017636600000000, -0.0002576500000000, 0.0001315800000000 ] - [ -0.0083316800000000, -0.0014986000000000, -0.0014579100000000 ] - [ 0.0003106200000000, -0.0002630100000000, -0.0007141000000000 ] - [ -0.0008615500000000, 0.0009244400000000, 0.0026177000000000 ] - [ -0.0005209500000000, 0.0001742600000000, 0.0012702800000000 ] - [ 0.0008715700000000, 0.0007043700000000, -0.0020808100000000 ] - [ -0.0006062900000000, 0.0001278500000000, -0.0003426600000000 ] - [ -0.0000514900000000, -0.0007877600000000, -0.0019491500000000 ] - [ -0.0005166200000000, -0.0000455800000000, -0.0007456500000000 ] - [ -0.0011087600000000, -0.0013972100000000, -0.0004735900000000 ] - [ 0.0002901500000000, -0.0001834000000000, -0.0002155800000000 ] - [ -0.0002980600000000, 0.0010903700000000, -0.0011317200000000 ] - [ -0.0006548800000000, 0.0002118600000000, -0.0006098900000000 ] - [ -0.0010928900000000, -0.0003237500000000, 0.0021174000000000 ] - [ -0.0019644800000000, -0.0002405200000000, 0.0017451800000000 ] - [ -0.0040550300000000, -0.0010643600000000, -0.0017839300000000 ] - [ 0.0007164800000000, 0.0002389500000000, -0.0006813000000000 ] - [ 0.0025213400000000, -0.0032288800000000, 0.0012912600000000 ] - [ -0.0019949500000000, -0.0005459900000000, 0.0002226600000000 ] - [ 0.0003034500000000, 0.0009028900000000, -0.0048273900000000 ] - [ -0.0013181600000000, 0.0008865300000000, -0.0004394600000000 ] - [ 0.0021506500000000, 0.0043233800000000, -0.0028749300000000 ] - [ -0.0006203500000000, 0.0002145200000000, -0.0002704900000000 ] - [ -0.0011134600000000, 0.0008169500000000, 0.0025958700000000 ] - [ -0.0001860900000000, -0.0001839500000000, 0.0003816300000000 ] - [ -0.0102243000000000, 0.0029426900000000, 0.0082404100000000 ] - [ -0.0004250800000000, -0.0002496000000000, 0.0006377000000000 ] - [ -0.0012053700000000, 0.0010311100000000, -0.0017547100000000 ] - [ -0.0005295700000000, 0.0001422700000000, -0.0004557500000000 ] - [ -0.0130233600000000, -0.0037271700000000, 0.0167127800000000 ] - [ -0.0012210900000000, 0.0002118600000000, 0.0003551100000000 ] - [ -0.0006370500000000, 0.0011355900000000, -0.0062593200000000 ] - [ -0.0007103200000000, 0.0001813700000000, -0.0000777400000000 ] - [ -0.0025556300000000, 0.0030765800000000, 0.0231184100000000 ] - [ -0.0007095900000000, 0.0000071300000000, 0.0001064600000000 ] - [ -0.0000349900000000, 0.0007503600000000, -0.0031220800000000 ] - [ -0.0009440300000000, -0.0000938900000000, -0.0003135900000000 ] - [ 0.0001233400000000, 0.0034453300000000, -0.0127238400000000 ] - [ -0.0004949800000000, -0.0000198200000000, -0.0001493400000000 ] - [ -0.0012828900000000, 0.0222889000000000, 0.0593254800000000 ] - [ -0.0002659600000000, 0.0000896400000000, 0.0000968200000000 ] - [ -0.0000712900000000, 0.0005482500000000, 0.0153317000000000 ] - [ -0.0007554600000000, 0.0002077500000000, 0.0001223200000000 ] - [ 0.0025018500000000, 0.0105775200000000, -0.0039535000000000 ] - [ -0.0007944700000000, -0.0001274300000000, -0.0002610500000000 ] - [ -0.0223782600000000, -0.0018779800000000, 0.0165516300000000 ] - [ -0.0007156600000000, 0.0001499700000000, 0.0000159200000000 ] - [ 0.0024203800000000, 0.0010264400000000, -0.0025470700000000 ] - [ -0.0009644700000000, 0.0000450200000000, -0.0003759000000000 ] - [ 0.0066365600000000, 0.0031719200000000, 0.0261522100000000 ] - [ -0.0005246900000000, 0.0000766400000000, -0.0000371900000000 ] - [ 0.0105828900000000, 0.0100502300000000, 0.0001444700000000 ] - [ -0.0008392600000000, -0.0004354800000000, -0.0000948700000000 ] - [ 0.0007272600000000, 0.0042183400000000, 0.0048568800000000 ] - [ -0.0003539500000000, 0.0000000000000000, 0.0001779400000000 ] - [ -0.0038377900000000, 0.0078808800000000, 0.0049590900000000 ] - [ -0.0001838700000000, 0.0000178900000000, 0.0000352000000000 ] - [ -0.0022498000000000, -0.0000792000000000, -0.0124287500000000 ] - [ -0.0005693900000000, -0.0000090600000000, -0.0005063500000000 ] - [ 0.0041365600000000, -0.0003931800000000, 0.0046777300000000 ] - [ -0.0009820700000000, -0.0001932300000000, 0.0003040700000000 ] - [ -0.0064435700000000, -0.0080092000000000, -0.0000761300000000 ] - [ -0.0003898000000000, -0.0000950800000000, -0.0000777900000000 ]- atom: 33 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ -0.0009182800000000, -0.0007934100000000, 0.0019270800000000 ] - [ -0.0003339600000000, 0.0001128200000000, 0.0001080100000000 ] - [ 0.0008970900000000, 0.0128866600000000, -0.0054445600000000 ] - [ -0.0001985800000000, 0.0000413000000000, 0.0001994100000000 ] - [ 0.0014619300000000, -0.0009916100000000, -0.0034668100000000 ] - [ -0.0004030000000000, 0.0002172100000000, -0.0001007800000000 ] - [ 0.0034153900000000, -0.0007523600000000, 0.0027745000000000 ] - [ -0.0002792000000000, 0.0000479900000000, 0.0001297900000000 ] - [ 0.0004371600000000, 0.0016806800000000, -0.0026316100000000 ] - [ -0.0003225900000000, -0.0000774200000000, -0.0002754100000000 ] - [ -0.0015072700000000, 0.0006808100000000, 0.0011708400000000 ] - [ 0.0061792800000000, 0.0021771900000000, 0.0005102900000000 ] - [ -0.0020495000000000, 0.0008514400000000, -0.0016614300000000 ] - [ 0.0008533000000000, -0.0006655800000000, -0.0009403400000000 ] - [ 0.0086838100000000, -0.0094473700000000, -0.0168073600000000 ] - [ -0.0010041300000000, 0.0000671300000000, -0.0001859800000000 ] - [ 0.0020794100000000, -0.0041930700000000, 0.0043495800000000 ] - [ -0.0006512400000000, 0.0000187100000000, 0.0001524800000000 ] - [ 0.0122767000000000, -0.0103265900000000, -0.0187530300000000 ] - [ -0.0006484000000000, 0.0000133000000000, -0.0001699300000000 ] - [ -0.0055212200000000, -0.0040273100000000, 0.0007039900000000 ] - [ 0.0013031100000000, -0.0003115800000000, 0.0006192000000000 ] - [ -0.0019318000000000, 0.0007674200000000, -0.0048947600000000 ] - [ -0.0012002500000000, -0.0000180700000000, -0.0016928400000000 ] - [ 0.0028991100000000, 0.0027518100000000, 0.0004925100000000 ] - [ -0.0042657100000000, -0.0000504400000000, 0.0015097200000000 ] - [ -0.0063657100000000, -0.0081551300000000, 0.0170234800000000 ] - [ -0.0013682800000000, -0.0000297600000000, 0.0015622700000000 ] - [ -0.0006982500000000, 0.0014222700000000, 0.0004902200000000 ] - [ -0.0016921300000000, -0.0007636400000000, -0.0000569600000000 ] - [ -0.0023897000000000, 0.0008936400000000, -0.0076521300000000 ] - [ -0.0010769800000000, 0.0011748800000000, -0.0011215100000000 ] - [ 0.0001918300000000, -0.0275335400000000, 0.1810066400000000 ] - [ -0.0014432400000000, 0.0005931700000000, 0.0001457300000000 ] - [ -0.0018563400000000, 0.0822574200000000, -0.0161155700000000 ] - [ -0.0012190800000000, -0.0001774800000000, 0.0000266900000000 ] - [ -0.0000109600000000, 0.0039367500000000, -0.0090804200000000 ] - [ -0.0011373200000000, 0.0002429100000000, -0.0009184100000000 ] - [ -0.0676190600000000, -0.0003882500000000, -0.0113731300000000 ] - [ -0.0009471600000000, -0.0000871500000000, -0.0003772000000000 ] - [ -0.0013896900000000, 0.0083006300000000, 0.0174757900000000 ] - [ -0.0012482100000000, 0.0002363500000000, 0.0006603600000000 ] - [ 0.0071352500000000, 0.0082647600000000, 0.0027924200000000 ] - [ -0.0019958700000000, -0.0007230400000000, -0.0002710100000000 ] - [ -0.0039720200000000, -0.0018972500000000, 0.0005634400000000 ] - [ 0.0019048700000000, 0.0001122600000000, -0.0000412600000000 ] - [ 0.0083369500000000, 0.0015398500000000, 0.0013638200000000 ] - [ -0.0002216400000000, 0.0003151300000000, 0.0006604100000000 ] - [ 0.0007787300000000, -0.0011406600000000, -0.0026758100000000 ] - [ 0.0003403700000000, -0.0004210900000000, -0.0013301700000000 ] - [ -0.0009880800000000, -0.0007204200000000, 0.0021968700000000 ] - [ 0.0004876800000000, -0.0001667000000000, 0.0004560700000000 ] - [ 0.0001513100000000, 0.0010872400000000, 0.0019508200000000 ] - [ 0.0006261600000000, 0.0003419400000000, 0.0007677200000000 ] - [ 0.0012282700000000, 0.0013542000000000, 0.0003621000000000 ] - [ -0.0001596500000000, 0.0001695400000000, 0.0001101500000000 ] - [ 0.0004265000000000, -0.0009464500000000, 0.0012697000000000 ] - [ 0.0008031600000000, -0.0000784300000000, 0.0007553900000000 ] - [ 0.0010818500000000, 0.0003497900000000, -0.0022357200000000 ] - [ 0.0019202200000000, 0.0002913400000000, -0.0018310900000000 ] - [ 0.0040961700000000, 0.0011113400000000, 0.0018898100000000 ] - [ -0.0007050200000000, -0.0002129200000000, 0.0008032500000000 ] - [ -0.0026268800000000, 0.0033716000000000, -0.0013801400000000 ] - [ 0.0018451300000000, 0.0006716000000000, -0.0003670100000000 ] - [ -0.0003577000000000, -0.0009103200000000, 0.0049235800000000 ] - [ 0.0011733800000000, -0.0009031600000000, 0.0005444500000000 ] - [ -0.0022333200000000, -0.0039828600000000, 0.0029134800000000 ] - [ 0.0005109800000000, 0.0000934400000000, 0.0002605300000000 ] - [ 0.0012477300000000, -0.0008017000000000, -0.0027023300000000 ] - [ 0.0002976800000000, 0.0001469600000000, -0.0005219700000000 ] - [ 0.0104355900000000, -0.0031593800000000, -0.0082923500000000 ] - [ 0.0005663500000000, 0.0000217500000000, -0.0005906500000000 ] - [ 0.0011210300000000, -0.0009633500000000, 0.0018408500000000 ] - [ 0.0004231400000000, -0.0000851000000000, 0.0005250300000000 ] - [ 0.0132606700000000, 0.0037417400000000, -0.0172808400000000 ] - [ 0.0010647300000000, -0.0003525700000000, -0.0004443600000000 ] - [ 0.0007224700000000, -0.0010403300000000, 0.0064544400000000 ] - [ 0.0007579900000000, -0.0001455300000000, 0.0002709300000000 ] - [ 0.0026580600000000, -0.0039004000000000, -0.0233539700000000 ] - [ 0.0007324500000000, -0.0001909000000000, -0.0002994100000000 ] - [ -0.0000889600000000, -0.0008403300000000, 0.0032547200000000 ] - [ 0.0007931200000000, 0.0000111000000000, 0.0004125800000000 ] - [ -0.0003069300000000, -0.0035050800000000, 0.0127120100000000 ] - [ 0.0003017100000000, -0.0000061300000000, 0.0002118500000000 ] - [ 0.0019386900000000, -0.0214374200000000, -0.0653441600000000 ] - [ 0.0003354900000000, -0.0000495000000000, -0.0000663700000000 ] - [ 0.0000600100000000, -0.0000811500000000, -0.0152311500000000 ] - [ 0.0006598600000000, -0.0004590000000000, -0.0000000300000000 ] - [ -0.0027263700000000, -0.0106872900000000, 0.0040030100000000 ] - [ 0.0005752900000000, 0.0000905900000000, 0.0003049000000000 ] - [ 0.0227281200000000, 0.0021042400000000, -0.0134282800000000 ] - [ 0.0008315700000000, -0.0000017300000000, 0.0001165600000000 ] - [ -0.0025516300000000, -0.0008816700000000, 0.0024096600000000 ] - [ 0.0008291100000000, 0.0001037000000000, 0.0002433000000000 ] - [ -0.0068038600000000, -0.0031062700000000, -0.0264339400000000 ] - [ 0.0007287100000000, -0.0001127000000000, -0.0000103500000000 ] - [ -0.0105010100000000, -0.0103620700000000, -0.0002814000000000 ] - [ 0.0009175000000000, 0.0001824600000000, -0.0000298000000000 ] - [ -0.0007992900000000, -0.0042277200000000, -0.0049123300000000 ] - [ 0.0002793300000000, 0.0000344100000000, -0.0002158700000000 ] - [ 0.0040534500000000, -0.0078331700000000, -0.0048831200000000 ] - [ 0.0003696200000000, -0.0000454100000000, -0.0000959500000000 ] - [ 0.0023543700000000, -0.0000018400000000, 0.0123761400000000 ] - [ 0.0007150000000000, -0.0000737300000000, 0.0004113300000000 ] - [ -0.0041342900000000, 0.0002250100000000, -0.0045723700000000 ] - [ 0.0009487700000000, 0.0000074300000000, -0.0001175400000000 ] - [ 0.0063149000000000, 0.0080007500000000, -0.0000972900000000 ] - [ 0.0003221400000000, 0.0001278500000000, -0.0001116800000000 ]- atom: 35 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ -0.0049612400000000, -0.0028093200000000, 0.0006912300000000 ] - [ 0.0017579700000000, 0.0001176400000000, 0.0003354300000000 ] - [ -0.0024358100000000, -0.0003245500000000, 0.0004720900000000 ] - [ 0.0015040900000000, 0.0006845200000000, -0.0004314000000000 ] - [ 0.0025753100000000, -0.0000880300000000, -0.0136991300000000 ] - [ 0.0017056200000000, -0.0004715800000000, -0.0006389500000000 ] - [ 0.0072115100000000, -0.0062981400000000, 0.0061009800000000 ] - [ 0.0032543300000000, 0.0011916300000000, 0.0002615400000000 ] - [ 0.0007294700000000, 0.0004640000000000, -0.0013694900000000 ] - [ 0.0025539700000000, -0.0003642100000000, -0.0005178000000000 ] - [ 0.0023123000000000, 0.0005123900000000, 0.0002990800000000 ] - [ 0.0004759100000000, 0.0012523000000000, -0.0003211400000000 ] - [ 0.0132146900000000, -0.0114117800000000, 0.0119255400000000 ] - [ 0.0063090400000000, -0.0003743700000000, -0.0018818400000000 ] - [ -0.0070045100000000, 0.0023305600000000, 0.0034287700000000 ] - [ 0.0033339900000000, -0.0001100900000000, -0.0006073000000000 ] - [ -0.0087729400000000, -0.0011414900000000, 0.0053132200000000 ] - [ 0.0035301900000000, -0.0006013500000000, 0.0001511400000000 ] - [ -0.0063094400000000, -0.0037780900000000, -0.0026075900000000 ] - [ 0.0032783300000000, 0.0006090500000000, 0.0001412100000000 ] - [ 0.0025384400000000, 0.0007073300000000, -0.0014976500000000 ] - [ 0.0069324000000000, 0.0003606600000000, -0.0057108500000000 ] - [ 0.0047359300000000, -0.0023999200000000, -0.0048994900000000 ] - [ 0.0043453100000000, 0.0055647500000000, 0.0019505900000000 ] - [ 0.0063645900000000, 0.0048054000000000, -0.0000997600000000 ] - [ 0.0014744000000000, 0.0010877300000000, -0.0010661200000000 ] - [ 0.0144043100000000, 0.0044726800000000, -0.0791222900000000 ] - [ 0.0083623200000000, -0.0017719500000000, -0.0017378000000000 ] - [ -0.0072305900000000, -0.0061009800000000, -0.0091009900000000 ] - [ 0.0052818400000000, 0.0002684100000000, 0.0002888700000000 ] - [ -0.0078677300000000, 0.0028241900000000, -0.0001231700000000 ] - [ 0.0069956500000000, -0.0018981300000000, -0.0031431500000000 ] - [ -0.0274819400000000, 0.0116846500000000, 0.0015867600000000 ] - [ 0.0069457700000000, -0.0025461200000000, 0.0014295000000000 ] - [ -0.1857448500000000, -0.0144226800000000, 0.0231865300000000 ] - [ 0.0077970500000000, 0.0002861700000000, -0.0006213500000000 ] - [ -0.0271623100000000, 0.0016493100000000, -0.0116416400000000 ] - [ 0.0076321400000000, -0.0019487000000000, 0.0023805200000000 ] - [ -0.0071311100000000, 0.0002166000000000, -0.0026577500000000 ] - [ 0.0068832000000000, 0.0026960800000000, 0.0022428200000000 ] - [ -0.0077264100000000, 0.0088831300000000, 0.0068970400000000 ] - [ 0.0055914900000000, -0.0003971800000000, -0.0003177000000000 ] - [ 0.0100901400000000, 0.0817806100000000, 0.0010849400000000 ] - [ 0.0085696700000000, 0.0019159700000000, 0.0011626300000000 ] - [ -0.0094005600000000, -0.0075089100000000, 0.0013326800000000 ] - [ -0.0070250800000000, 0.0025404400000000, 0.0002424600000000 ] - [ 0.0004009500000000, 0.0001607600000000, 0.0013032400000000 ] - [ -0.0029242000000000, -0.0021372400000000, 0.0000436300000000 ] - [ -0.0004571500000000, -0.0009719800000000, -0.0021775700000000 ] - [ -0.0028637800000000, -0.0004054300000000, 0.0007996800000000 ] - [ -0.0029184800000000, 0.0013681400000000, 0.0027920300000000 ] - [ -0.0019834400000000, -0.0032824000000000, -0.0003273400000000 ] - [ -0.0029100600000000, 0.0012017500000000, 0.0038326000000000 ] - [ -0.0039245900000000, -0.0027037900000000, -0.0019111300000000 ] - [ -0.0026189300000000, -0.0006237200000000, 0.0003684500000000 ] - [ -0.0005133600000000, 0.0024078200000000, 0.0007529200000000 ] - [ -0.0027252300000000, 0.0000402200000000, 0.0017657000000000 ] - [ 0.0004851900000000, -0.0012109800000000, -0.0000124000000000 ] - [ -0.0060852600000000, 0.0000285000000000, -0.0017092600000000 ] - [ -0.0092125300000000, -0.0008511800000000, 0.0079784500000000 ] - [ 0.0013151000000000, 0.0001963800000000, -0.0005042300000000 ] - [ -0.0049435900000000, -0.0001280800000000, 0.0020338400000000 ] - [ 0.0008941600000000, 0.0010669700000000, 0.0087746800000000 ] - [ -0.0028904700000000, 0.0000574500000000, 0.0002648000000000 ] - [ 0.0010419900000000, -0.0043893000000000, -0.0014250100000000 ] - [ -0.0036727000000000, 0.0005583600000000, 0.0007904200000000 ] - [ 0.0015987100000000, 0.0022869400000000, 0.0009478700000000 ] - [ -0.0017124600000000, 0.0004269500000000, 0.0006356600000000 ] - [ 0.0030293700000000, 0.0111053700000000, 0.0110852800000000 ] - [ -0.0013834400000000, 0.0000260200000000, -0.0000716700000000 ] - [ 0.0451984200000000, -0.0012394000000000, 0.0270005100000000 ] - [ -0.0050439600000000, 0.0005240400000000, 0.0008294600000000 ] - [ 0.0084998800000000, 0.0032162600000000, -0.0002967600000000 ] - [ -0.0040728000000000, 0.0007647600000000, 0.0003506000000000 ] - [ 0.0128970400000000, -0.0120415000000000, 0.0028343700000000 ] - [ -0.0047367900000000, 0.0013435600000000, 0.0002224700000000 ] - [ 0.0082263900000000, -0.0021095000000000, 0.0012916500000000 ] - [ -0.0045960900000000, 0.0008731500000000, 0.0001628200000000 ] - [ 0.0266591600000000, -0.0024648000000000, -0.0012787500000000 ] - [ -0.0033809200000000, 0.0005179900000000, -0.0000711400000000 ] - [ 0.0087749900000000, 0.0001378300000000, 0.0045656400000000 ] - [ -0.0037368300000000, 0.0003052800000000, -0.0005465200000000 ] - [ 0.0183668000000000, 0.0012551300000000, 0.0044564100000000 ] - [ -0.0021484400000000, 0.0003050400000000, -0.0002663700000000 ] - [ 0.0164451500000000, -0.0088142100000000, -0.0028463300000000 ] - [ -0.0015452000000000, 0.0004005900000000, -0.0002142000000000 ] - [ 0.0084311700000000, -0.0050125100000000, -0.0000124100000000 ] - [ -0.0036362100000000, 0.0008085000000000, -0.0001711700000000 ] - [ 0.0293835000000000, 0.0029557600000000, 0.0050741000000000 ] - [ -0.0036359100000000, -0.0000966500000000, -0.0009580800000000 ] - [ 0.0079197300000000, -0.0011186000000000, 0.0014973000000000 ] - [ -0.0044469800000000, 0.0000589300000000, -0.0004818900000000 ] - [ 0.0116556800000000, -0.0046163600000000, 0.0099782000000000 ] - [ -0.0047077000000000, 0.0002404100000000, -0.0009243100000000 ] - [ 0.0068330500000000, -0.0007033600000000, -0.0024185100000000 ] - [ -0.0032091500000000, -0.0002186000000000, -0.0008806700000000 ] - [ 0.0426022400000000, -0.0297895700000000, -0.0008211200000000 ] - [ -0.0046469700000000, -0.0011491500000000, -0.0004249600000000 ] - [ 0.0035622100000000, -0.0094735300000000, -0.0119876800000000 ] - [ -0.0016329300000000, 0.0000899200000000, 0.0000406100000000 ] - [ 0.0015746800000000, -0.0010503900000000, -0.0016434400000000 ] - [ -0.0015280700000000, -0.0005608200000000, -0.0002199400000000 ] - [ 0.0006861000000000, 0.0022844900000000, 0.0046018500000000 ] - [ -0.0033201000000000, -0.0007753600000000, -0.0005512300000000 ] - [ 0.0011325000000000, -0.0102641000000000, -0.0017107900000000 ] - [ -0.0026190200000000, -0.0002037200000000, 0.0001688300000000 ] - [ 0.0014131300000000, 0.0003001800000000, 0.0004709400000000 ] - [ -0.0050804100000000, -0.0010458200000000, 0.0000586400000000 ]- atom: 35 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ 0.0047064900000000, 0.0031452000000000, -0.0006970600000000 ] - [ -0.0020339400000000, 0.0002005900000000, -0.0003432300000000 ] - [ 0.0026324400000000, 0.0005878700000000, -0.0002486900000000 ] - [ -0.0013101300000000, -0.0004256900000000, 0.0006569000000000 ] - [ -0.0027600300000000, 0.0003553800000000, 0.0132714300000000 ] - [ -0.0019038400000000, 0.0007304200000000, 0.0004120200000000 ] - [ -0.0068546500000000, 0.0065333500000000, -0.0060205900000000 ] - [ -0.0029823000000000, -0.0008743700000000, -0.0002472300000000 ] - [ -0.0005575600000000, -0.0004375300000000, 0.0013646200000000 ] - [ -0.0023698500000000, 0.0003884800000000, 0.0005145100000000 ] - [ -0.0025012000000000, -0.0005649500000000, -0.0001966800000000 ] - [ -0.0006452700000000, -0.0012992700000000, 0.0004178400000000 ] - [ -0.0132083900000000, 0.0114887900000000, -0.0121643300000000 ] - [ -0.0061203100000000, 0.0003309400000000, 0.0017787800000000 ] - [ 0.0068929300000000, -0.0022941700000000, -0.0033705100000000 ] - [ -0.0035170600000000, 0.0001331400000000, 0.0006068000000000 ] - [ 0.0087147600000000, 0.0011712100000000, -0.0052028700000000 ] - [ -0.0035589400000000, 0.0006344400000000, -0.0000524400000000 ] - [ 0.0062485400000000, 0.0038998700000000, 0.0025490200000000 ] - [ -0.0032517200000000, -0.0005770600000000, -0.0002385300000000 ] - [ -0.0022994900000000, -0.0006350200000000, 0.0014821700000000 ] - [ -0.0066653700000000, -0.0002798700000000, 0.0056455400000000 ] - [ -0.0047129000000000, 0.0021857100000000, 0.0047591700000000 ] - [ -0.0043138700000000, -0.0057967300000000, -0.0020764300000000 ] - [ -0.0068674900000000, -0.0049753400000000, 0.0000253300000000 ] - [ -0.0019558700000000, -0.0012235100000000, 0.0009783600000000 ] - [ -0.0141043300000000, -0.0046830700000000, 0.0799878100000000 ] - [ -0.0078397300000000, 0.0016301400000000, 0.0018250200000000 ] - [ 0.0072354000000000, 0.0059293800000000, 0.0092299400000000 ] - [ -0.0053172500000000, -0.0004599600000000, -0.0001821100000000 ] - [ 0.0076541200000000, -0.0027440500000000, 0.0001590900000000 ] - [ -0.0072700400000000, 0.0019800400000000, 0.0031672800000000 ] - [ 0.0275830300000000, -0.0116371900000000, -0.0018107800000000 ] - [ -0.0069059500000000, 0.0024533700000000, -0.0012138400000000 ] - [ 0.1865580100000000, 0.0128133800000000, -0.0244918000000000 ] - [ -0.0076982100000000, -0.0002953500000000, 0.0003619900000000 ] - [ 0.0274176500000000, -0.0018789100000000, 0.0115610700000000 ] - [ -0.0073574300000000, 0.0020064200000000, -0.0025506700000000 ] - [ 0.0067927700000000, -0.0001576400000000, 0.0028023100000000 ] - [ -0.0071565000000000, -0.0026407000000000, -0.0020758600000000 ] - [ 0.0075589600000000, -0.0088350900000000, -0.0066026900000000 ] - [ -0.0056887200000000, 0.0003926500000000, 0.0005806200000000 ] - [ -0.0098993100000000, -0.0810128700000000, -0.0012871000000000 ] - [ -0.0086238800000000, -0.0020082800000000, -0.0013723300000000 ] - [ 0.0096161100000000, 0.0073490400000000, -0.0012566400000000 ] - [ 0.0072147200000000, -0.0027286400000000, -0.0001594800000000 ] - [ -0.0002590200000000, -0.0001133200000000, -0.0013799300000000 ] - [ 0.0030390800000000, 0.0021829900000000, -0.0001233800000000 ] - [ 0.0003383200000000, 0.0007525400000000, 0.0021343100000000 ] - [ 0.0027222900000000, 0.0001841400000000, -0.0008312100000000 ] - [ 0.0027760900000000, -0.0013577000000000, -0.0026122700000000 ] - [ 0.0018690600000000, 0.0032843700000000, 0.0004997100000000 ] - [ 0.0030006300000000, -0.0008677200000000, -0.0037884700000000 ] - [ 0.0040524100000000, 0.0030463900000000, 0.0019641700000000 ] - [ 0.0027455200000000, 0.0006141300000000, -0.0004731000000000 ] - [ 0.0006267600000000, -0.0024249700000000, -0.0008553100000000 ] - [ 0.0028551300000000, 0.0000911700000000, -0.0016192100000000 ] - [ -0.0003754400000000, 0.0013444700000000, 0.0001577200000000 ] - [ 0.0060436600000000, -0.0000132400000000, 0.0015315400000000 ] - [ 0.0091314100000000, 0.0008625900000000, -0.0081182300000000 ] - [ -0.0013309000000000, -0.0001915700000000, 0.0006563400000000 ] - [ 0.0049648300000000, 0.0001463800000000, -0.0018843300000000 ] - [ -0.0010257000000000, -0.0009398100000000, -0.0089832900000000 ] - [ 0.0027688700000000, 0.0000688100000000, -0.0004079100000000 ] - [ -0.0012054800000000, 0.0044025500000000, 0.0015448300000000 ] - [ 0.0035499200000000, -0.0005692600000000, -0.0006847500000000 ] - [ -0.0017094000000000, -0.0019685300000000, -0.0009646900000000 ] - [ 0.0016101800000000, -0.0000998300000000, -0.0006532700000000 ] - [ -0.0029252900000000, -0.0111402200000000, -0.0113150800000000 ] - [ 0.0015066100000000, -0.0000461800000000, -0.0000992600000000 ] - [ -0.0502516000000000, 0.0014083100000000, -0.0265606000000000 ] - [ 0.0051787300000000, -0.0007442900000000, -0.0008047800000000 ] - [ -0.0086831300000000, -0.0031695900000000, 0.0003963000000000 ] - [ 0.0039558300000000, -0.0007226800000000, -0.0002635000000000 ] - [ -0.0131934400000000, 0.0119483800000000, -0.0028910100000000 ] - [ 0.0045657900000000, -0.0015033100000000, -0.0003086500000000 ] - [ -0.0081781500000000, 0.0021636900000000, -0.0011039700000000 ] - [ 0.0046643900000000, -0.0008305200000000, 0.0000302400000000 ] - [ -0.0265570900000000, 0.0024015600000000, 0.0004796400000000 ] - [ 0.0034214900000000, -0.0006898300000000, -0.0001099700000000 ] - [ -0.0089390300000000, -0.0002187900000000, -0.0045140700000000 ] - [ 0.0036049600000000, -0.0003838900000000, 0.0006272300000000 ] - [ -0.0183360600000000, -0.0012493000000000, -0.0037694900000000 ] - [ 0.0019621300000000, -0.0003386400000000, 0.0003160100000000 ] - [ -0.0166468300000000, 0.0093422900000000, 0.0030036600000000 ] - [ 0.0016254200000000, -0.0003752500000000, 0.0002334300000000 ] - [ -0.0084899400000000, 0.0046566700000000, 0.0001482200000000 ] - [ 0.0035319500000000, -0.0010973200000000, 0.0002971500000000 ] - [ -0.0297405700000000, -0.0035318400000000, -0.0048832100000000 ] - [ 0.0034155700000000, 0.0000724500000000, 0.0010255400000000 ] - [ -0.0077963500000000, 0.0012684400000000, -0.0013212700000000 ] - [ 0.0045506000000000, 0.0000865400000000, 0.0006232100000000 ] - [ -0.0116615200000000, 0.0047677900000000, -0.0100683700000000 ] - [ 0.0046011000000000, -0.0000965300000000, 0.0007880300000000 ] - [ -0.0065312700000000, 0.0006706900000000, 0.0023784700000000 ] - [ 0.0034329100000000, 0.0001970800000000, 0.0008114900000000 ] - [ -0.0378028700000000, 0.0298825100000000, 0.0007465200000000 ] - [ 0.0047525100000000, 0.0008651000000000, 0.0002976700000000 ] - [ -0.0036159900000000, 0.0094258100000000, 0.0119320100000000 ] - [ 0.0015540900000000, -0.0000731300000000, -0.0000690700000000 ] - [ -0.0013787100000000, 0.0010056600000000, 0.0015986200000000 ] - [ 0.0017129400000000, 0.0005255200000000, 0.0001737600000000 ] - [ -0.0005023100000000, -0.0023463400000000, -0.0046518300000000 ] - [ 0.0034552400000000, 0.0006994000000000, 0.0004762600000000 ] - [ -0.0011656700000000, 0.0099906700000000, 0.0018715900000000 ] - [ 0.0025766700000000, 0.0000250800000000, 0.0000068100000000 ] - [ -0.0014450800000000, -0.0002470600000000, -0.0006656700000000 ] - [ 0.0050093800000000, 0.0010919500000000, -0.0002470900000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0047672000000000, 0.0100352400000000, 0.0062222100000000 ] - [ 0.0000113800000000, 0.0002062500000000, 0.0000831100000000 ] - [ 0.0008575100000000, 0.0024985800000000, -0.0018353400000000 ] - [ 0.0001232700000000, 0.0001870800000000, 0.0000892600000000 ] - [ 0.0006739700000000, -0.0045164900000000, -0.0010346100000000 ] - [ -0.0000802200000000, 0.0000416700000000, -0.0001365500000000 ] - [ -0.0029457500000000, -0.0027863100000000, 0.0005418600000000 ] - [ 0.0004328300000000, 0.0000551700000000, 0.0001273300000000 ] - [ 0.0018838900000000, 0.0029178700000000, -0.0022137200000000 ] - [ -0.0003397300000000, 0.0002965700000000, -0.0000574900000000 ] - [ -0.0008081600000000, 0.0004431300000000, 0.0002641000000000 ] - [ 0.0024282100000000, 0.0026521300000000, -0.0017596300000000 ] - [ -0.0059187700000000, -0.0019241300000000, -0.0005540100000000 ] - [ 0.0016673900000000, -0.0012519300000000, -0.0008844800000000 ] - [ 0.0012167700000000, -0.0053257500000000, 0.0011895100000000 ] - [ -0.0001645200000000, -0.0001306800000000, -0.0000576900000000 ] - [ 0.0006376800000000, -0.0051971300000000, 0.0022262500000000 ] - [ 0.0000557700000000, -0.0000805200000000, 0.0000223000000000 ] - [ -0.0107388800000000, 0.0221483000000000, 0.0125281800000000 ] - [ 0.0001422400000000, 0.0001457200000000, -0.0000810600000000 ] - [ -0.0011396900000000, -0.0028609900000000, -0.0000966900000000 ] - [ 0.0001567100000000, -0.0023639400000000, -0.0016841200000000 ] - [ -0.0046265900000000, -0.0003688000000000, -0.0018287300000000 ] - [ 0.0020870000000000, -0.0003484700000000, -0.0000326900000000 ] - [ -0.0004210000000000, 0.0066084200000000, 0.0012630800000000 ] - [ -0.0004001200000000, 0.0019443600000000, 0.0008222100000000 ] - [ 0.0055725300000000, -0.0202764900000000, 0.0045499400000000 ] - [ 0.0002759100000000, -0.0006308200000000, 0.0005004500000000 ] - [ -0.0058813600000000, -0.0008157700000000, -0.0034790100000000 ] - [ 0.0003587700000000, -0.0000977000000000, -0.0000471900000000 ] - [ -0.0032508100000000, 0.0117453900000000, 0.0017363400000000 ] - [ 0.0001370600000000, 0.0010657500000000, -0.0007901000000000 ] - [ 0.0080162600000000, 0.0210455400000000, -0.0814520500000000 ] - [ 0.0001277100000000, -0.0000988500000000, 0.0002829300000000 ] - [ -0.0142179400000000, -0.2131671800000000, 0.0423858800000000 ] - [ 0.0003467600000000, -0.0001981200000000, -0.0000949800000000 ] - [ -0.0055179300000000, 0.0176798100000000, -0.0696483900000000 ] - [ 0.0003900400000000, -0.0000249600000000, -0.0000948200000000 ] - [ -0.0076307900000000, -0.0011745300000000, -0.0039048800000000 ] - [ 0.0004810100000000, 0.0001175000000000, 0.0002041200000000 ] - [ -0.0089136600000000, 0.0175837800000000, 0.0031808600000000 ] - [ 0.0003468300000000, 0.0003002600000000, 0.0001753200000000 ] - [ 0.0571149500000000, 0.0161833600000000, 0.0085216400000000 ] - [ -0.0003244700000000, -0.0001147700000000, 0.0001313000000000 ] - [ -0.0092559200000000, -0.0056113400000000, 0.0013029100000000 ] - [ 0.0007558400000000, -0.0005640000000000, -0.0003109200000000 ] - [ 0.0029516500000000, 0.0011104900000000, 0.0004001300000000 ] - [ -0.0008374900000000, 0.0004120000000000, 0.0002831700000000 ] - [ 0.0016257600000000, -0.0014712200000000, -0.0017830000000000 ] - [ -0.0006831500000000, -0.0007832700000000, -0.0003309600000000 ] - [ 0.0010360900000000, -0.0015383300000000, 0.0009230900000000 ] - [ -0.0005208300000000, -0.0006282600000000, -0.0001148700000000 ] - [ -0.0001784300000000, 0.0020117400000000, 0.0009903900000000 ] - [ 0.0003535100000000, 0.0011170900000000, 0.0002389500000000 ] - [ -0.0006749000000000, 0.0009521700000000, 0.0005478500000000 ] - [ 0.0019187000000000, 0.0016500500000000, 0.0003525700000000 ] - [ -0.0000583100000000, -0.0016456200000000, 0.0006651800000000 ] - [ 0.0006984000000000, -0.0010686100000000, -0.0001165400000000 ] - [ 0.0001605100000000, 0.0006245800000000, -0.0007172800000000 ] - [ -0.0017299100000000, 0.0010122200000000, 0.0013533200000000 ] - [ 0.0006861300000000, -0.0042153500000000, -0.0010023600000000 ] - [ -0.0006640500000000, -0.0007731800000000, 0.0005246600000000 ] - [ -0.0002071400000000, 0.0035569200000000, 0.0017002800000000 ] - [ 0.0001720700000000, 0.0004220000000000, -0.0001481200000000 ] - [ -0.0030848300000000, -0.0037027800000000, -0.0012116700000000 ] - [ 0.0007973900000000, -0.0007556900000000, 0.0001379200000000 ] - [ 0.0004623600000000, -0.0030513900000000, 0.0015667600000000 ] - [ 0.0000172600000000, -0.0001141700000000, 0.0001200400000000 ] - [ 0.0022993300000000, 0.0045534000000000, -0.0004437300000000 ] - [ -0.0000634100000000, 0.0001643700000000, -0.0002109600000000 ] - [ -0.0071432000000000, 0.0167128000000000, -0.0041579800000000 ] - [ -0.0003352400000000, 0.0001882600000000, -0.0001996600000000 ] - [ 0.0064242900000000, -0.0035385900000000, 0.0052219700000000 ] - [ -0.0004866400000000, -0.0001445200000000, 0.0003294600000000 ] - [ -0.0131271000000000, 0.0076080000000000, 0.0041675700000000 ] - [ 0.0000129900000000, 0.0000945000000000, -0.0001648500000000 ] - [ 0.0019432400000000, -0.0135422300000000, 0.0012913700000000 ] - [ -0.0000764500000000, -0.0001256300000000, 0.0001508300000000 ] - [ -0.0026154600000000, 0.0223502900000000, 0.0056516800000000 ] - [ -0.0000274100000000, 0.0000105700000000, -0.0001721400000000 ] - [ 0.0035280800000000, -0.0000756000000000, 0.0125869900000000 ] - [ -0.0002020800000000, 0.0000100700000000, 0.0001024200000000 ] - [ 0.0002830700000000, 0.0226789600000000, -0.0023762000000000 ] - [ -0.0001288600000000, 0.0000961900000000, 0.0000603300000000 ] - [ -0.0025704400000000, 0.0798110900000000, 0.0218604500000000 ] - [ -0.0000131200000000, 0.0001151000000000, -0.0000510900000000 ] - [ 0.0052235600000000, -0.0153378400000000, 0.0038985600000000 ] - [ -0.0001867300000000, -0.0001955100000000, 0.0000142500000000 ] - [ -0.0092445400000000, 0.0169987600000000, 0.0183371900000000 ] - [ -0.0001514000000000, 0.0000354100000000, 0.0000038500000000 ] - [ 0.0038752900000000, 0.0016137800000000, 0.0109087800000000 ] - [ -0.0001260800000000, 0.0000905300000000, 0.0000110200000000 ] - [ -0.0091120500000000, -0.0009959700000000, 0.0060270000000000 ] - [ -0.0000329000000000, 0.0000789400000000, -0.0001053700000000 ] - [ 0.0090695100000000, -0.0048891500000000, 0.0069539300000000 ] - [ -0.0000743600000000, -0.0001018600000000, -0.0000809900000000 ] - [ 0.0066295800000000, 0.0261887900000000, -0.0000694000000000 ] - [ -0.0000628300000000, -0.0000037400000000, -0.0001130000000000 ] - [ -0.0032460000000000, -0.0087123300000000, -0.0082220000000000 ] - [ -0.0000585600000000, -0.0001304000000000, -0.0001141900000000 ] - [ 0.0012450600000000, -0.0042018900000000, 0.0013169100000000 ] - [ 0.0000875600000000, -0.0002004100000000, 0.0000262500000000 ] - [ 0.0063943400000000, 0.0000960400000000, -0.0020482800000000 ] - [ -0.0003136700000000, -0.0001415600000000, -0.0000554800000000 ] - [ 0.0003447000000000, -0.0100644800000000, -0.0018777200000000 ] - [ 0.0000360500000000, -0.0003324700000000, -0.0000163000000000 ] - [ 0.0009146000000000, 0.0038414100000000, 0.0008815700000000 ] - [ -0.0001083300000000, 0.0003033400000000, 0.0000255200000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0043986000000000, -0.0096127900000000, -0.0061379100000000 ] - [ -0.0002828600000000, 0.0001107900000000, -0.0000901700000000 ] - [ -0.0006641600000000, -0.0022300200000000, 0.0020580300000000 ] - [ 0.0000736200000000, 0.0000728000000000, 0.0001351900000000 ] - [ -0.0009179600000000, 0.0047766500000000, 0.0008480500000000 ] - [ -0.0001101400000000, 0.0002155800000000, -0.0000915200000000 ] - [ 0.0032218400000000, 0.0031297600000000, -0.0005354100000000 ] - [ -0.0001443200000000, 0.0002699200000000, -0.0001139700000000 ] - [ -0.0016957000000000, -0.0028896600000000, 0.0022064400000000 ] - [ 0.0005215700000000, -0.0002776500000000, 0.0000529800000000 ] - [ 0.0006311800000000, -0.0004909600000000, -0.0001645100000000 ] - [ -0.0026095700000000, -0.0026899300000000, 0.0018520300000000 ] - [ 0.0061382900000000, 0.0017907200000000, 0.0004885800000000 ] - [ -0.0014789900000000, 0.0011887100000000, 0.0007823700000000 ] - [ -0.0013939600000000, 0.0053835000000000, -0.0011752600000000 ] - [ -0.0000126700000000, 0.0001552000000000, 0.0000565500000000 ] - [ -0.0006564600000000, 0.0051788900000000, -0.0021454500000000 ] - [ -0.0000768000000000, 0.0001104900000000, 0.0000760400000000 ] - [ 0.0108895200000000, -0.0223079200000000, -0.0127503900000000 ] - [ -0.0001105500000000, -0.0001105500000000, -0.0000160200000000 ] - [ 0.0014066700000000, 0.0029372000000000, 0.0000684300000000 ] - [ 0.0001322100000000, 0.0024327700000000, 0.0016168200000000 ] - [ 0.0046736700000000, 0.0001961800000000, 0.0017203300000000 ] - [ -0.0020712300000000, 0.0001991500000000, -0.0000667500000000 ] - [ -0.0000584400000000, -0.0067249500000000, -0.0013490900000000 ] - [ -0.0001566300000000, -0.0020733000000000, -0.0008938700000000 ] - [ -0.0049237000000000, 0.0200714400000000, -0.0048750900000000 ] - [ 0.0002392900000000, 0.0004818600000000, -0.0004181200000000 ] - [ 0.0057876200000000, 0.0005814800000000, 0.0035407000000000 ] - [ -0.0003810200000000, -0.0000991200000000, 0.0001522400000000 ] - [ 0.0029331600000000, -0.0116544800000000, -0.0017502200000000 ] - [ -0.0003902700000000, -0.0009863000000000, 0.0008041200000000 ] - [ -0.0080712500000000, -0.0212705700000000, 0.0822525900000000 ] - [ -0.0000769300000000, 0.0000064400000000, -0.0000663700000000 ] - [ 0.0129926700000000, 0.2183283600000000, -0.0430541700000000 ] - [ -0.0002348500000000, 0.0001903400000000, -0.0001628500000000 ] - [ 0.0057801600000000, -0.0174824500000000, 0.0686293500000000 ] - [ -0.0000979300000000, 0.0000755500000000, -0.0000699200000000 ] - [ 0.0073285900000000, 0.0012538300000000, 0.0040425400000000 ] - [ -0.0007444200000000, -0.0000493700000000, -0.0000336900000000 ] - [ 0.0088034900000000, -0.0175427500000000, -0.0028756900000000 ] - [ -0.0004431400000000, -0.0003056200000000, 0.0000878400000000 ] - [ -0.0564100000000000, -0.0161573500000000, -0.0087309600000000 ] - [ 0.0002969100000000, 0.0000159600000000, -0.0003409600000000 ] - [ 0.0093684800000000, 0.0054025700000000, -0.0011955800000000 ] - [ -0.0005984200000000, 0.0004191700000000, 0.0003979200000000 ] - [ -0.0028345700000000, -0.0010723000000000, -0.0004773000000000 ] - [ 0.0009524400000000, -0.0003805900000000, -0.0003597000000000 ] - [ -0.0017621700000000, 0.0012441700000000, 0.0017418000000000 ] - [ 0.0005477300000000, 0.0005586900000000, 0.0002917500000000 ] - [ -0.0011594300000000, 0.0014962500000000, -0.0007566100000000 ] - [ 0.0003960400000000, 0.0005804200000000, 0.0002753600000000 ] - [ 0.0002880100000000, -0.0016963000000000, -0.0009749100000000 ] - [ -0.0002649600000000, -0.0008123000000000, -0.0002279300000000 ] - [ 0.0007897900000000, -0.0009587300000000, -0.0006514500000000 ] - [ -0.0017833500000000, -0.0016431500000000, -0.0004531500000000 ] - [ 0.0001766400000000, 0.0017682500000000, -0.0005149900000000 ] - [ -0.0005571500000000, 0.0011913800000000, 0.0002620900000000 ] - [ -0.0001762900000000, -0.0006054400000000, 0.0005757800000000 ] - [ 0.0016476700000000, -0.0009893800000000, -0.0014484900000000 ] - [ -0.0006026200000000, 0.0042146800000000, 0.0011611200000000 ] - [ 0.0006669900000000, 0.0007884800000000, -0.0003707900000000 ] - [ 0.0000919900000000, -0.0034123800000000, -0.0018097100000000 ] - [ -0.0002988700000000, -0.0002922400000000, 0.0000058800000000 ] - [ 0.0029938600000000, 0.0036694100000000, 0.0013408800000000 ] - [ -0.0009280600000000, 0.0007373600000000, -0.0000297100000000 ] - [ -0.0005537000000000, 0.0033811500000000, -0.0015697000000000 ] - [ -0.0001252400000000, 0.0004412900000000, -0.0001348300000000 ] - [ -0.0021544200000000, -0.0044658700000000, 0.0003192100000000 ] - [ 0.0001827600000000, -0.0001810300000000, 0.0000455900000000 ] - [ 0.0075325500000000, -0.0172432600000000, 0.0042968200000000 ] - [ 0.0004677800000000, -0.0004073000000000, 0.0002275900000000 ] - [ -0.0065108400000000, 0.0036230800000000, -0.0050888300000000 ] - [ 0.0003614100000000, 0.0001917900000000, -0.0002422200000000 ] - [ 0.0129484600000000, -0.0078251100000000, -0.0042340400000000 ] - [ -0.0001885400000000, -0.0002550500000000, 0.0000792400000000 ] - [ -0.0018700900000000, 0.0136482600000000, -0.0010549100000000 ] - [ 0.0001318500000000, 0.0001702600000000, 0.0000431600000000 ] - [ 0.0028134600000000, -0.0227924900000000, -0.0065255200000000 ] - [ 0.0000638900000000, -0.0001837200000000, -0.0000105900000000 ] - [ -0.0036207400000000, -0.0000189100000000, -0.0124135700000000 ] - [ 0.0000620000000000, -0.0000874400000000, -0.0000208800000000 ] - [ -0.0004123200000000, -0.0227337100000000, 0.0031775700000000 ] - [ -0.0000611200000000, -0.0001271900000000, -0.0000101700000000 ] - [ 0.0030709700000000, -0.0874232700000000, -0.0210526700000000 ] - [ 0.0000903400000000, -0.0000901600000000, 0.0000713000000000 ] - [ -0.0052936500000000, 0.0149095800000000, -0.0038032000000000 ] - [ 0.0000792600000000, -0.0000915300000000, 0.0001106800000000 ] - [ 0.0092263000000000, -0.0136739500000000, -0.0184535000000000 ] - [ -0.0000751500000000, -0.0000588500000000, 0.0000590000000000 ] - [ -0.0037569300000000, -0.0014925500000000, -0.0107768200000000 ] - [ 0.0002251500000000, 0.0000540500000000, 0.0001290800000000 ] - [ 0.0089559900000000, 0.0011831700000000, -0.0061099100000000 ] - [ -0.0000847200000000, 0.0000686100000000, -0.0000331100000000 ] - [ -0.0088225500000000, 0.0048445100000000, -0.0070588600000000 ] - [ 0.0002922100000000, 0.0000750000000000, 0.0000127600000000 ] - [ -0.0069634700000000, -0.0266342400000000, -0.0000694800000000 ] - [ 0.0001546500000000, -0.0002756000000000, -0.0000143200000000 ] - [ 0.0031258500000000, 0.0087272800000000, 0.0081709100000000 ] - [ -0.0000217000000000, 0.0001534300000000, 0.0000864600000000 ] - [ -0.0010583100000000, 0.0041554300000000, -0.0013619700000000 ] - [ 0.0000974700000000, 0.0001627900000000, -0.0000748700000000 ] - [ -0.0062844500000000, -0.0001898400000000, 0.0020186100000000 ] - [ 0.0004465100000000, 0.0000592300000000, -0.0000214300000000 ] - [ -0.0004385600000000, 0.0099014000000000, 0.0020366300000000 ] - [ -0.0000728600000000, 0.0001555900000000, 0.0001936200000000 ] - [ -0.0009741900000000, -0.0037979600000000, -0.0010723800000000 ] - [ 0.0000258800000000, -0.0002626700000000, -0.0002156300000000 ]- atom: 35 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ -0.0001574600000000, 0.0012492800000000, -0.0030029100000000 ] - [ -0.0002461100000000, 0.0001493800000000, -0.0000703800000000 ] - [ -0.0003541200000000, -0.0011125500000000, 0.0023013000000000 ] - [ 0.0000144300000000, 0.0000858500000000, 0.0001920400000000 ] - [ -0.0156570000000000, 0.0014159500000000, 0.0040110900000000 ] - [ -0.0000846600000000, 0.0001327800000000, 0.0000101800000000 ] - [ 0.0029155800000000, 0.0001294500000000, -0.0013441300000000 ] - [ -0.0006514500000000, -0.0003495300000000, -0.0007004300000000 ] - [ -0.0020613800000000, -0.0015817000000000, 0.0025971000000000 ] - [ 0.0004703900000000, 0.0004670500000000, 0.0006839400000000 ] - [ 0.0002511100000000, -0.0000338200000000, 0.0003558900000000 ] - [ -0.0019034500000000, -0.0020519500000000, 0.0024024500000000 ] - [ 0.0057023500000000, 0.0006195600000000, -0.0049347000000000 ] - [ -0.0007791200000000, 0.0001976200000000, -0.0001317500000000 ] - [ 0.0110700400000000, 0.0121152300000000, 0.0228841200000000 ] - [ -0.0003830000000000, -0.0000318600000000, 0.0001759400000000 ] - [ 0.0098891500000000, 0.0122504000000000, 0.0199203900000000 ] - [ -0.0005610700000000, 0.0002655600000000, 0.0000362100000000 ] - [ -0.0013504900000000, 0.0012790500000000, -0.0052753800000000 ] - [ 0.0000041100000000, -0.0000564200000000, -0.0001716100000000 ] - [ 0.0003881400000000, 0.0008494200000000, 0.0019060100000000 ] - [ -0.0009325800000000, 0.0007317200000000, 0.0077796100000000 ] - [ -0.0022547000000000, 0.0001715300000000, -0.0001818800000000 ] - [ 0.0047311700000000, -0.0024438200000000, -0.0001909900000000 ] - [ -0.0002037200000000, -0.0014341900000000, -0.0024346100000000 ] - [ 0.0015182800000000, -0.0001450600000000, -0.0026930900000000 ] - [ -0.0585225200000000, 0.0065518700000000, 0.0161260500000000 ] - [ 0.0001718000000000, 0.0002134000000000, -0.0000178500000000 ] - [ 0.0053398000000000, 0.0034534700000000, 0.0160161500000000 ] - [ -0.0005177500000000, -0.0000957600000000, 0.0003153000000000 ] - [ 0.0070789100000000, -0.0028373000000000, -0.0009670400000000 ] - [ -0.0010362500000000, 0.0003085400000000, 0.0002327300000000 ] - [ 0.0074405600000000, -0.0617476600000000, 0.0160246500000000 ] - [ -0.0004423100000000, 0.0000221800000000, -0.0000664200000000 ] - [ 0.0254594500000000, 0.0425872000000000, -0.2118893100000000 ] - [ -0.0004922000000000, 0.0000269500000000, -0.0002837700000000 ] - [ -0.0003799200000000, -0.0767983600000000, 0.0171867500000000 ] - [ -0.0003366600000000, 0.0002987500000000, -0.0001655800000000 ] - [ 0.0028443400000000, 0.0012688400000000, 0.0120559300000000 ] - [ -0.0009271800000000, -0.0009890400000000, 0.0009306400000000 ] - [ 0.0067634700000000, -0.0031002300000000, -0.0013247100000000 ] - [ -0.0005432800000000, -0.0000466500000000, -0.0001127500000000 ] - [ -0.0056159200000000, -0.0005845100000000, -0.0175448300000000 ] - [ -0.0002404400000000, 0.0002972800000000, -0.0006402000000000 ] - [ 0.0022280700000000, 0.0014754100000000, 0.0007400800000000 ] - [ 0.0000311800000000, -0.0009249800000000, 0.0006772100000000 ] - [ -0.0005548700000000, -0.0002113500000000, -0.0012296100000000 ] - [ 0.0004131000000000, 0.0010551200000000, -0.0017102300000000 ] - [ -0.0022193300000000, 0.0001727100000000, 0.0016985800000000 ] - [ 0.0005967200000000, 0.0003355600000000, 0.0010801800000000 ] - [ -0.0001608400000000, -0.0000945400000000, 0.0008980600000000 ] - [ -0.0000317700000000, 0.0006775200000000, 0.0013906100000000 ] - [ 0.0010727100000000, -0.0002514800000000, -0.0007643400000000 ] - [ -0.0007005100000000, 0.0012061300000000, -0.0013678800000000 ] - [ 0.0006629600000000, -0.0003169600000000, -0.0007503700000000 ] - [ -0.0006346100000000, -0.0017161900000000, -0.0014775600000000 ] - [ 0.0010824000000000, 0.0003427800000000, 0.0002974300000000 ] - [ -0.0026044200000000, 0.0004723400000000, 0.0005294200000000 ] - [ -0.0003289800000000, -0.0002356700000000, -0.0004944000000000 ] - [ 0.0101441600000000, 0.0005971900000000, -0.0069987900000000 ] - [ -0.0017661400000000, 0.0005089600000000, 0.0035698500000000 ] - [ 0.0001747000000000, 0.0001451000000000, 0.0002588800000000 ] - [ -0.0004112900000000, -0.0008526300000000, -0.0098261000000000 ] - [ 0.0000608100000000, -0.0000103000000000, -0.0003845000000000 ] - [ -0.0064738000000000, -0.0023190700000000, -0.0003893800000000 ] - [ 0.0005443700000000, -0.0001270600000000, -0.0001631400000000 ] - [ -0.0010607500000000, 0.0002152100000000, -0.0039112700000000 ] - [ 0.0000061800000000, 0.0001661700000000, -0.0002328500000000 ] - [ 0.0042632200000000, -0.0080128500000000, -0.0086827900000000 ] - [ 0.0001222100000000, -0.0001118000000000, -0.0001853600000000 ] - [ -0.0040308100000000, -0.0017626300000000, 0.0244942900000000 ] - [ 0.0004409200000000, -0.0002266000000000, 0.0001934600000000 ] - [ -0.0089829700000000, 0.0067027300000000, -0.0037542600000000 ] - [ 0.0003516000000000, -0.0000273000000000, -0.0000965100000000 ] - [ 0.0072709700000000, 0.0071661600000000, -0.0020477700000000 ] - [ 0.0000886800000000, -0.0001868200000000, -0.0000668000000000 ] - [ -0.0042006300000000, 0.0114547100000000, 0.0003946200000000 ] - [ 0.0003951700000000, -0.0001128800000000, 0.0000759500000000 ] - [ 0.0066748400000000, 0.0098284900000000, 0.0275892500000000 ] - [ 0.0002223600000000, -0.0001445300000000, -0.0000197200000000 ] - [ -0.0034832200000000, 0.0031766900000000, -0.0142937900000000 ] - [ 0.0002256300000000, -0.0001277500000000, -0.0000094900000000 ] - [ -0.0013512400000000, 0.0171193800000000, 0.0623853900000000 ] - [ 0.0000604600000000, -0.0000703900000000, 0.0000867200000000 ] - [ -0.0016010300000000, -0.0028692000000000, 0.0207865500000000 ] - [ 0.0001021700000000, 0.0000318200000000, 0.0001594100000000 ] - [ -0.0052633000000000, 0.0111884600000000, -0.0012970300000000 ] - [ 0.0002160000000000, -0.0000965900000000, 0.0001258000000000 ] - [ 0.0036521600000000, 0.0053768100000000, 0.0219600800000000 ] - [ 0.0000598300000000, -0.0000948100000000, 0.0001250400000000 ] - [ -0.0013302200000000, 0.0013429000000000, -0.0118636300000000 ] - [ 0.0004326800000000, 0.0001548600000000, -0.0000417300000000 ] - [ 0.0099473400000000, 0.0055418400000000, 0.0041002300000000 ] - [ 0.0000847400000000, -0.0000675500000000, -0.0000170600000000 ] - [ -0.0054137500000000, 0.0046465200000000, -0.0042284400000000 ] - [ 0.0005229300000000, 0.0002429100000000, -0.0000623700000000 ] - [ 0.0047247400000000, -0.0006812800000000, 0.0184261900000000 ] - [ 0.0004557500000000, -0.0002359900000000, 0.0001812200000000 ] - [ -0.0035208800000000, -0.0016251600000000, 0.0053029600000000 ] - [ 0.0001668900000000, -0.0001730500000000, 0.0002413100000000 ] - [ -0.0004846600000000, 0.0013579100000000, -0.0031144100000000 ] - [ 0.0001340800000000, 0.0001408700000000, -0.0002039000000000 ] - [ 0.0036866900000000, -0.0027217800000000, -0.0039825100000000 ] - [ -0.0006253700000000, 0.0001922100000000, -0.0008724900000000 ] - [ 0.0002091600000000, 0.0023575900000000, 0.0039183600000000 ] - [ -0.0002766100000000, -0.0002400300000000, 0.0004807900000000 ] - [ -0.0006923900000000, -0.0009474700000000, -0.0066148200000000 ] - [ 0.0012575000000000, 0.0005056700000000, -0.0010127800000000 ]- atom: 35 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ -0.0001248500000000, -0.0009245400000000, 0.0029849400000000 ] - [ -0.0000359500000000, 0.0001824200000000, 0.0000716900000000 ] - [ 0.0005546400000000, 0.0013681900000000, -0.0020700000000000 ] - [ 0.0001828600000000, 0.0001706600000000, 0.0000353300000000 ] - [ 0.0156542600000000, -0.0011313800000000, -0.0042584900000000 ] - [ -0.0001147400000000, 0.0001257800000000, -0.0002369400000000 ] - [ -0.0026541800000000, 0.0002105500000000, 0.0013116500000000 ] - [ 0.0009316400000000, 0.0006800500000000, 0.0006950600000000 ] - [ 0.0022290000000000, 0.0015958700000000, -0.0025923300000000 ] - [ -0.0003010800000000, -0.0004455000000000, -0.0006885100000000 ] - [ -0.0004351800000000, -0.0000198100000000, -0.0002608900000000 ] - [ 0.0017148600000000, 0.0019986200000000, -0.0023045500000000 ] - [ -0.0055131600000000, -0.0006762500000000, 0.0048665700000000 ] - [ 0.0009481300000000, -0.0002446000000000, 0.0000402300000000 ] - [ -0.0113644000000000, -0.0122142500000000, -0.0230754100000000 ] - [ 0.0002040100000000, 0.0000536800000000, -0.0001661400000000 ] - [ -0.0097595000000000, -0.0120513000000000, -0.0195973300000000 ] - [ 0.0005322300000000, -0.0002294200000000, 0.0000697600000000 ] - [ 0.0013562600000000, -0.0012154000000000, 0.0052084600000000 ] - [ 0.0000141100000000, 0.0000892100000000, 0.0000666100000000 ] - [ -0.0000807400000000, -0.0007503000000000, -0.0019494800000000 ] - [ 0.0011669200000000, -0.0006477300000000, -0.0077965700000000 ] - [ 0.0022931600000000, -0.0003402300000000, 0.0001492000000000 ] - [ -0.0047167300000000, 0.0022759500000000, 0.0001499700000000 ] - [ -0.0002799600000000, 0.0012688200000000, 0.0023566400000000 ] - [ -0.0019839000000000, 0.0000061900000000, 0.0026177700000000 ] - [ 0.0583339600000000, -0.0067195800000000, -0.0159369900000000 ] - [ 0.0002951200000000, -0.0003484400000000, 0.0000826000000000 ] - [ -0.0053673800000000, -0.0035973700000000, -0.0159034300000000 ] - [ 0.0004867800000000, -0.0000769000000000, -0.0002470700000000 ] - [ -0.0073243200000000, 0.0028963800000000, 0.0010474500000000 ] - [ 0.0007658400000000, -0.0002198100000000, -0.0001720300000000 ] - [ -0.0074023600000000, 0.0609141100000000, -0.0157680400000000 ] - [ 0.0004598400000000, -0.0001628500000000, 0.0002676700000000 ] - [ -0.0245894700000000, -0.0430208700000000, 0.2147408300000000 ] - [ 0.0005925400000000, -0.0000365200000000, 0.0000141100000000 ] - [ 0.0007185800000000, 0.0773915700000000, -0.0175317000000000 ] - [ 0.0006115300000000, -0.0002416600000000, 0.0000002400000000 ] - [ -0.0030823200000000, -0.0012538000000000, -0.0118944200000000 ] - [ 0.0006339400000000, 0.0010369300000000, -0.0007649800000000 ] - [ -0.0068354300000000, 0.0030735400000000, 0.0015615100000000 ] - [ 0.0004294000000000, 0.0000373800000000, 0.0003793400000000 ] - [ 0.0054911100000000, 0.0001239000000000, 0.0172756000000000 ] - [ 0.0002185600000000, -0.0004419100000000, 0.0004380300000000 ] - [ -0.0020625200000000, -0.0015786000000000, -0.0006344000000000 ] - [ 0.0000847500000000, 0.0007987300000000, -0.0005734000000000 ] - [ 0.0006217800000000, 0.0002849300000000, 0.0011668500000000 ] - [ -0.0003280700000000, -0.0009790800000000, 0.0016462400000000 ] - [ 0.0020480200000000, -0.0004045600000000, -0.0017466400000000 ] - [ -0.0007569600000000, -0.0005699500000000, -0.0011351000000000 ] - [ 0.0000656100000000, 0.0000394200000000, -0.0007936100000000 ] - [ -0.0000770400000000, -0.0007311300000000, -0.0012774200000000 ] - [ -0.0009629000000000, 0.0005308100000000, 0.0007426100000000 ] - [ 0.0008043700000000, -0.0009206800000000, 0.0013442300000000 ] - [ -0.0005252700000000, 0.0002677600000000, 0.0006302200000000 ] - [ 0.0007745000000000, 0.0016704600000000, 0.0013559300000000 ] - [ -0.0009417600000000, -0.0001964000000000, -0.0001471300000000 ] - [ 0.0027437300000000, -0.0003291900000000, -0.0003776700000000 ] - [ 0.0003531900000000, 0.0002714100000000, 0.0003835900000000 ] - [ -0.0100806700000000, -0.0005486000000000, 0.0068245900000000 ] - [ 0.0017340100000000, -0.0004737200000000, -0.0034544800000000 ] - [ -0.0001880300000000, -0.0001072900000000, -0.0001440500000000 ] - [ 0.0003195900000000, 0.0009831300000000, 0.0096972900000000 ] - [ -0.0002036300000000, 0.0001486400000000, 0.0002272200000000 ] - [ 0.0063678300000000, 0.0023275300000000, 0.0004934700000000 ] - [ -0.0006785800000000, 0.0000892800000000, 0.0002771400000000 ] - [ 0.0009551100000000, 0.0000768500000000, 0.0039015100000000 ] - [ -0.0001121200000000, 0.0001222800000000, 0.0002283600000000 ] - [ -0.0041032700000000, 0.0079459600000000, 0.0085539600000000 ] - [ -0.0000159800000000, 0.0000576400000000, 0.0000664400000000 ] - [ 0.0047709400000000, 0.0014423000000000, -0.0245722300000000 ] - [ -0.0002710500000000, -0.0000101900000000, -0.0001273300000000 ] - [ 0.0088795200000000, -0.0066628500000000, 0.0037854500000000 ] - [ -0.0004268900000000, 0.0000967700000000, 0.0001502300000000 ] - [ -0.0073692100000000, -0.0072207100000000, 0.0019740200000000 ] - [ -0.0002074000000000, 0.0000564700000000, -0.0000342200000000 ] - [ 0.0042440600000000, -0.0114586600000000, -0.0002065700000000 ] - [ -0.0003454200000000, 0.0001371700000000, 0.0001179100000000 ] - [ -0.0068816300000000, -0.0102301200000000, -0.0236730400000000 ] - [ -0.0002015800000000, -0.0000556700000000, -0.0001864100000000 ] - [ 0.0033100800000000, -0.0032892100000000, 0.0142951300000000 ] - [ -0.0003755000000000, 0.0000426500000000, 0.0001269800000000 ] - [ 0.0011551300000000, -0.0164234800000000, -0.0689194600000000 ] - [ -0.0002491900000000, 0.0000507600000000, -0.0000073900000000 ] - [ 0.0015599800000000, 0.0037461700000000, -0.0207196000000000 ] - [ -0.0000361800000000, 0.0000217900000000, -0.0001134100000000 ] - [ 0.0051708600000000, -0.0113670400000000, 0.0013858600000000 ] - [ -0.0002787500000000, -0.0001254000000000, -0.0000049600000000 ] - [ -0.0040186400000000, -0.0060770800000000, -0.0220889600000000 ] - [ -0.0002640700000000, 0.0000431000000000, -0.0000960100000000 ] - [ 0.0014659900000000, -0.0011446400000000, 0.0120410200000000 ] - [ -0.0002810400000000, -0.0000055900000000, 0.0001653900000000 ] - [ -0.0100714300000000, -0.0053748500000000, -0.0042964200000000 ] - [ -0.0002260700000000, 0.0002170400000000, -0.0001101600000000 ] - [ 0.0056168100000000, -0.0046558100000000, 0.0042379200000000 ] - [ -0.0003152900000000, -0.0002921500000000, 0.0000339000000000 ] - [ -0.0051082900000000, 0.0004667300000000, -0.0188099300000000 ] - [ -0.0003862100000000, 0.0000102100000000, -0.0002999000000000 ] - [ 0.0034269600000000, 0.0016878100000000, -0.0052459900000000 ] - [ -0.0002277600000000, 0.0002290900000000, -0.0002825600000000 ] - [ 0.0006658900000000, -0.0013649000000000, 0.0030403300000000 ] - [ 0.0000592300000000, -0.0001568100000000, 0.0001236800000000 ] - [ -0.0035629200000000, 0.0026649300000000, 0.0038477100000000 ] - [ 0.0007813300000000, -0.0002752100000000, 0.0007491700000000 ] - [ -0.0002416100000000, -0.0025342700000000, -0.0036987500000000 ] - [ 0.0002561800000000, 0.0000448400000000, -0.0002725500000000 ] - [ 0.0005858600000000, 0.0009811100000000, 0.0064044900000000 ] - [ -0.0012920100000000, -0.0004792900000000, 0.0008149100000000 ]- atom: 37 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ -0.0049954700000000, -0.0001656800000000, -0.0016003900000000 ] - [ 0.0019325700000000, 0.0001562300000000, 0.0003006300000000 ] - [ -0.0061650900000000, -0.0011717100000000, 0.0016292700000000 ] - [ 0.0017897700000000, 0.0007925800000000, -0.0005290700000000 ] - [ 0.0025188200000000, -0.0160785400000000, -0.0006532800000000 ] - [ 0.0017496300000000, -0.0004697800000000, -0.0006424100000000 ] - [ 0.0005608400000000, -0.0004177300000000, 0.0007803700000000 ] - [ 0.0013870800000000, -0.0000706300000000, -0.0002015100000000 ] - [ 0.0183476200000000, 0.0123138000000000, -0.0130925200000000 ] - [ 0.0059796400000000, -0.0004296800000000, 0.0004869500000000 ] - [ 0.0026036300000000, 0.0009458100000000, -0.0002371100000000 ] - [ -0.0001134900000000, -0.0021731000000000, 0.0021087600000000 ] - [ 0.0133248900000000, 0.0107714000000000, -0.0118019100000000 ] - [ 0.0063320700000000, -0.0017778600000000, 0.0004827600000000 ] - [ -0.0073169400000000, 0.0040867400000000, 0.0018893100000000 ] - [ 0.0036790100000000, -0.0001944600000000, -0.0005754700000000 ] - [ -0.0088456700000000, -0.0011202500000000, -0.0016855100000000 ] - [ 0.0036223400000000, -0.0003611500000000, 0.0001258700000000 ] - [ -0.0087836700000000, 0.0050110700000000, -0.0008668500000000 ] - [ 0.0038786700000000, 0.0005109500000000, 0.0001602800000000 ] - [ 0.0059987700000000, -0.0035364700000000, -0.0052715100000000 ] - [ 0.0064341400000000, 0.0060237400000000, 0.0042771800000000 ] - [ 0.0021243400000000, -0.0004120200000000, -0.0012696400000000 ] - [ 0.0063603600000000, -0.0008250600000000, 0.0002394100000000 ] - [ 0.0069601500000000, 0.0066161900000000, 0.0022121200000000 ] - [ 0.0090601700000000, -0.0010316700000000, -0.0058040900000000 ] - [ -0.0074322800000000, 0.0082428900000000, 0.0050314400000000 ] - [ 0.0071984900000000, -0.0025533200000000, -0.0024393600000000 ] - [ 0.0022142400000000, 0.0062927900000000, 0.0515545100000000 ] - [ 0.0085454500000000, 0.0003954700000000, -0.0004208700000000 ] - [ 0.0064250100000000, -0.0597145100000000, -0.0037661200000000 ] - [ 0.0096331200000000, -0.0017960700000000, -0.0025441900000000 ] - [ -0.0123118200000000, 0.0039638300000000, 0.0001457900000000 ] - [ 0.0071993000000000, -0.0029240600000000, 0.0014308900000000 ] - [ -0.0271792300000000, -0.0055903300000000, -0.0010177700000000 ] - [ 0.0075378800000000, 0.0002359100000000, -0.0005596700000000 ] - [ -0.2377530200000000, 0.0225373700000000, -0.0381041400000000 ] - [ 0.0090437200000000, -0.0022162300000000, 0.0031682200000000 ] - [ -0.0074376700000000, 0.0009372200000000, -0.0011767400000000 ] - [ 0.0072044800000000, 0.0015088700000000, 0.0032747400000000 ] - [ -0.0070229200000000, 0.0074608600000000, 0.0030338000000000 ] - [ 0.0069595000000000, -0.0006158100000000, -0.0005956100000000 ] - [ 0.0037987700000000, -0.0059023300000000, 0.0680531100000000 ] - [ 0.0094614200000000, 0.0034825400000000, 0.0007834600000000 ] - [ -0.0067671500000000, -0.0032009000000000, -0.0057144700000000 ] - [ -0.0080187900000000, -0.0008595200000000, 0.0030692400000000 ] - [ 0.0001107300000000, 0.0005628800000000, 0.0008174000000000 ] - [ -0.0031458300000000, -0.0008922600000000, -0.0014785300000000 ] - [ -0.0007617300000000, -0.0011877900000000, -0.0018800500000000 ] - [ -0.0037867900000000, 0.0001211000000000, 0.0022777200000000 ] - [ -0.0005616700000000, -0.0015648700000000, 0.0003802100000000 ] - [ -0.0013594800000000, 0.0010626300000000, 0.0013532200000000 ] - [ -0.0034030400000000, 0.0037188600000000, 0.0013931900000000 ] - [ -0.0037856500000000, -0.0024740500000000, -0.0010155800000000 ] - [ -0.0079659900000000, 0.0020136200000000, 0.0037534800000000 ] - [ -0.0051328700000000, -0.0037204100000000, -0.0046209700000000 ] - [ -0.0067340900000000, -0.0035017900000000, -0.0002392800000000 ] - [ -0.0041222400000000, 0.0042319600000000, 0.0013919200000000 ] - [ -0.0041319200000000, 0.0004060400000000, 0.0020070700000000 ] - [ 0.0013388800000000, -0.0008114000000000, -0.0027633600000000 ] - [ -0.0044120000000000, 0.0043237300000000, 0.0075992800000000 ] - [ -0.0048589500000000, -0.0000898700000000, 0.0013330300000000 ] - [ -0.0001266800000000, -0.0049855100000000, -0.0056263800000000 ] - [ -0.0035416500000000, 0.0006541400000000, 0.0007237200000000 ] - [ -0.0014050100000000, 0.0096900900000000, -0.0018675100000000 ] - [ -0.0038360800000000, -0.0001150000000000, 0.0006763100000000 ] - [ 0.0011250200000000, 0.0064643000000000, -0.0072055200000000 ] - [ -0.0022336600000000, 0.0000888800000000, 0.0006456600000000 ] - [ 0.0031263600000000, -0.0059604500000000, -0.0110310200000000 ] - [ -0.0015997200000000, 0.0006143700000000, 0.0008530800000000 ] - [ 0.0102800100000000, -0.0038877900000000, 0.0012053500000000 ] - [ -0.0046460300000000, 0.0005508500000000, 0.0009153600000000 ] - [ 0.0247631400000000, 0.0094739800000000, -0.0097578300000000 ] - [ -0.0048826500000000, 0.0008945400000000, -0.0000345400000000 ] - [ 0.0076243100000000, -0.0027824900000000, -0.0013327600000000 ] - [ -0.0048780400000000, 0.0013662900000000, 0.0003756300000000 ] - [ 0.0334089900000000, -0.0044838900000000, 0.0012367000000000 ] - [ -0.0056033300000000, 0.0009216300000000, 0.0000477900000000 ] - [ 0.0072462300000000, -0.0007552400000000, -0.0023453900000000 ] - [ -0.0033699300000000, 0.0006433200000000, 0.0000357100000000 ] - [ 0.0226220700000000, -0.0003713500000000, 0.0054473900000000 ] - [ -0.0046913900000000, 0.0003943300000000, -0.0008557300000000 ] - [ 0.0229390800000000, 0.0056093600000000, 0.0024275700000000 ] - [ -0.0022991400000000, 0.0003749400000000, -0.0004071800000000 ] - [ 0.0031748100000000, 0.0017013800000000, -0.0000916700000000 ] - [ -0.0016440900000000, 0.0005340200000000, -0.0002253700000000 ] - [ 0.0076589100000000, -0.0023738800000000, -0.0004932500000000 ] - [ -0.0041441200000000, 0.0010850800000000, -0.0001025700000000 ] - [ 0.0237457500000000, 0.0046152900000000, -0.0033071500000000 ] - [ -0.0041022900000000, -0.0001928000000000, -0.0011642600000000 ] - [ 0.0076051100000000, 0.0000874600000000, -0.0003664200000000 ] - [ -0.0048135300000000, 0.0001864800000000, -0.0005375900000000 ] - [ 0.1003649400000000, -0.0010867400000000, -0.0126586800000000 ] - [ -0.0058972600000000, -0.0000462400000000, -0.0008786600000000 ] - [ 0.0046392100000000, -0.0023928300000000, 0.0005367800000000 ] - [ -0.0031447700000000, 0.0003783100000000, -0.0010511800000000 ] - [ 0.0114073200000000, 0.0109655000000000, -0.0050876200000000 ] - [ -0.0041878900000000, -0.0017287600000000, -0.0001331300000000 ] - [ 0.0041801000000000, -0.0044614900000000, -0.0111831700000000 ] - [ -0.0017538900000000, -0.0004124600000000, 0.0001111700000000 ] - [ 0.0021850500000000, -0.0061001500000000, 0.0034523800000000 ] - [ -0.0021233900000000, -0.0001440100000000, -0.0004676700000000 ] - [ 0.0026788600000000, 0.0002400400000000, 0.0003552500000000 ] - [ -0.0042588700000000, -0.0001989400000000, -0.0012665000000000 ] - [ 0.0000026300000000, -0.0068875300000000, -0.0068089300000000 ] - [ -0.0038329700000000, -0.0004913700000000, 0.0004789300000000 ] - [ -0.0003590700000000, 0.0042504200000000, 0.0033677100000000 ] - [ -0.0044125200000000, -0.0008018600000000, -0.0005814600000000 ]- atom: 37 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ 0.0047463600000000, 0.0005000700000000, 0.0015843600000000 ] - [ -0.0022155500000000, 0.0001691300000000, -0.0003049600000000 ] - [ 0.0063695300000000, 0.0013867200000000, -0.0013642700000000 ] - [ -0.0015958800000000, -0.0005352400000000, 0.0007562800000000 ] - [ -0.0026839400000000, 0.0161459200000000, 0.0004493100000000 ] - [ -0.0019516900000000, 0.0007295800000000, 0.0004145100000000 ] - [ -0.0002902800000000, 0.0007455400000000, -0.0007823100000000 ] - [ -0.0011092300000000, 0.0003964200000000, 0.0002086500000000 ] - [ -0.0179793100000000, -0.0121717100000000, 0.0129803400000000 ] - [ -0.0058123300000000, 0.0004537600000000, -0.0004942400000000 ] - [ -0.0027966000000000, -0.0009982400000000, 0.0003353600000000 ] - [ -0.0000636300000000, 0.0021277800000000, -0.0020116100000000 ] - [ -0.0133466000000000, -0.0109748600000000, 0.0118510500000000 ] - [ -0.0061569900000000, 0.0017340700000000, -0.0005759700000000 ] - [ 0.0072194500000000, -0.0040313000000000, -0.0018703800000000 ] - [ -0.0038656000000000, 0.0002164500000000, 0.0005804000000000 ] - [ 0.0088078100000000, 0.0011642400000000, 0.0018068400000000 ] - [ -0.0036546900000000, 0.0003939300000000, -0.0000231000000000 ] - [ 0.0087823200000000, -0.0049636000000000, 0.0007638800000000 ] - [ -0.0038619700000000, -0.0004793000000000, -0.0002618800000000 ] - [ -0.0057379200000000, 0.0035903300000000, 0.0052261400000000 ] - [ -0.0061768400000000, -0.0059455700000000, -0.0043437100000000 ] - [ -0.0021222900000000, 0.0002273600000000, 0.0011949100000000 ] - [ -0.0063394200000000, 0.0006206700000000, -0.0003219100000000 ] - [ -0.0074682200000000, -0.0067878500000000, -0.0022723900000000 ] - [ -0.0095768400000000, 0.0009127100000000, 0.0057463800000000 ] - [ 0.0079656700000000, -0.0084339000000000, -0.0049781900000000 ] - [ -0.0067251700000000, 0.0024145500000000, 0.0025147300000000 ] - [ -0.0022583900000000, -0.0064835900000000, -0.0520056100000000 ] - [ -0.0085778400000000, -0.0005743900000000, 0.0005063800000000 ] - [ -0.0068149800000000, 0.0604429200000000, 0.0037683100000000 ] - [ -0.0099097600000000, 0.0018869900000000, 0.0025959400000000 ] - [ 0.0123763600000000, -0.0040825400000000, 0.0000298900000000 ] - [ -0.0071833800000000, 0.0028123700000000, -0.0012260700000000 ] - [ 0.0273915700000000, 0.0056845200000000, 0.0004558600000000 ] - [ -0.0074542500000000, -0.0002492300000000, 0.0002965100000000 ] - [ 0.2329070700000000, -0.0233274000000000, 0.0375821100000000 ] - [ -0.0087829300000000, 0.0022763800000000, -0.0033424300000000 ] - [ 0.0071232700000000, -0.0008851400000000, 0.0013620500000000 ] - [ -0.0074947300000000, -0.0014538700000000, -0.0031153800000000 ] - [ 0.0069006400000000, -0.0074937200000000, -0.0028032500000000 ] - [ -0.0070760000000000, 0.0006113500000000, 0.0008655800000000 ] - [ -0.0036964600000000, 0.0057298000000000, -0.0677973700000000 ] - [ -0.0095269700000000, -0.0036112700000000, -0.0009862500000000 ] - [ 0.0069986800000000, 0.0030945300000000, 0.0057768400000000 ] - [ 0.0082095300000000, 0.0007019400000000, -0.0029965400000000 ] - [ 0.0000025900000000, -0.0004985800000000, -0.0008915700000000 ] - [ 0.0032480000000000, 0.0009499100000000, 0.0014149000000000 ] - [ 0.0006245400000000, 0.0009625000000000, 0.0018399900000000 ] - [ 0.0036420200000000, -0.0003513700000000, -0.0023302200000000 ] - [ 0.0004558800000000, 0.0015357000000000, -0.0002475800000000 ] - [ 0.0012490300000000, -0.0011006700000000, -0.0012141100000000 ] - [ 0.0035036300000000, -0.0033916500000000, -0.0013869400000000 ] - [ 0.0039209000000000, 0.0028147100000000, 0.0010390100000000 ] - [ 0.0080753700000000, -0.0020237900000000, -0.0038484700000000 ] - [ 0.0052402800000000, 0.0036827400000000, 0.0045452900000000 ] - [ 0.0068577900000000, 0.0036211800000000, 0.0003767500000000 ] - [ 0.0042316200000000, -0.0041109900000000, -0.0012379900000000 ] - [ 0.0041421100000000, -0.0003782200000000, -0.0021384800000000 ] - [ -0.0013525400000000, 0.0008418200000000, 0.0026375800000000 ] - [ 0.0044090800000000, -0.0043574900000000, -0.0074739600000000 ] - [ 0.0048801600000000, 0.0001186100000000, -0.0012088800000000 ] - [ -0.0000428500000000, 0.0051292900000000, 0.0055142700000000 ] - [ 0.0034156000000000, -0.0005197600000000, -0.0008729500000000 ] - [ 0.0012980800000000, -0.0097703800000000, 0.0019982400000000 ] - [ 0.0037161400000000, 0.0000879000000000, -0.0005687300000000 ] - [ -0.0012687500000000, -0.0061798300000000, 0.0072475800000000 ] - [ 0.0021318600000000, 0.0002184900000000, -0.0006583000000000 ] - [ -0.0029891200000000, 0.0059623100000000, 0.0109330900000000 ] - [ 0.0017169600000000, -0.0006491500000000, -0.0009972600000000 ] - [ -0.0102390000000000, 0.0036880300000000, -0.0011625000000000 ] - [ 0.0048093200000000, -0.0007803900000000, -0.0008735900000000 ] - [ -0.0286897500000000, -0.0091498500000000, 0.0096138000000000 ] - [ 0.0047932200000000, -0.0008401300000000, 0.0001035400000000 ] - [ -0.0078049400000000, 0.0026485700000000, 0.0012454500000000 ] - [ 0.0047427900000000, -0.0015140000000000, -0.0004702700000000 ] - [ -0.0332036200000000, 0.0040826500000000, -0.0010521300000000 ] - [ 0.0056714900000000, -0.0008894000000000, 0.0001449000000000 ] - [ -0.0072428600000000, 0.0005905500000000, 0.0021843000000000 ] - [ 0.0034071300000000, -0.0008303700000000, -0.0002295800000000 ] - [ -0.0226813700000000, 0.0003542900000000, -0.0045301300000000 ] - [ 0.0045554200000000, -0.0004760200000000, 0.0009545400000000 ] - [ -0.0228777700000000, -0.0052758500000000, -0.0023516800000000 ] - [ 0.0021158900000000, -0.0004014100000000, 0.0004719200000000 ] - [ -0.0031171800000000, -0.0017007500000000, 0.0001601900000000 ] - [ 0.0017207900000000, -0.0004953200000000, 0.0002581600000000 ] - [ -0.0077493400000000, 0.0021142700000000, 0.0006192700000000 ] - [ 0.0040680100000000, -0.0013456600000000, 0.0002260200000000 ] - [ -0.0237073600000000, -0.0044406100000000, 0.0025316300000000 ] - [ 0.0039000000000000, 0.0001578700000000, 0.0012158400000000 ] - [ -0.0074753500000000, 0.0000550200000000, 0.0004884400000000 ] - [ 0.0049474700000000, -0.0000397200000000, 0.0006708700000000 ] - [ -0.0924323600000000, 0.0012730200000000, 0.0132048800000000 ] - [ 0.0057837000000000, 0.0001932100000000, 0.0007506900000000 ] - [ -0.0044214900000000, 0.0023576900000000, -0.0005801000000000 ] - [ 0.0033657600000000, -0.0004149000000000, 0.0010026000000000 ] - [ -0.0112828400000000, -0.0112652300000000, 0.0049666500000000 ] - [ 0.0042840700000000, 0.0014780800000000, 0.0000090700000000 ] - [ -0.0042565500000000, 0.0044993900000000, 0.0111479700000000 ] - [ 0.0016880000000000, 0.0004490800000000, -0.0001498600000000 ] - [ -0.0019793600000000, 0.0060464300000000, -0.0034684100000000 ] - [ 0.0023156400000000, 0.0001171900000000, 0.0004034500000000 ] - [ -0.0024956900000000, -0.0003191800000000, -0.0004657200000000 ] - [ 0.0044144200000000, 0.0001194600000000, 0.0011741400000000 ] - [ -0.0000148400000000, 0.0067199800000000, 0.0069751400000000 ] - [ 0.0038108800000000, 0.0003027400000000, -0.0002884300000000 ] - [ 0.0003205100000000, -0.0041854200000000, -0.0035376000000000 ] - [ 0.0043571800000000, 0.0008361000000000, 0.0003905200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014366000000000, -0.0025221400000000, 0.0025189800000000 ] - [ -0.0006710000000000, 0.0000879000000000, -0.0000337000000000 ] - [ 0.0011286800000000, 0.0043838800000000, -0.0142371200000000 ] - [ -0.0003545800000000, -0.0000357000000000, 0.0002572000000000 ] - [ -0.0137793700000000, 0.0043502800000000, 0.0007579500000000 ] - [ -0.0003166900000000, 0.0002979200000000, -0.0001567100000000 ] - [ -0.0009707000000000, 0.0011624400000000, -0.0005303100000000 ] - [ 0.0003648300000000, 0.0008057400000000, 0.0004993000000000 ] - [ 0.0044288100000000, -0.0020363900000000, -0.0009715800000000 ] - [ -0.0014943700000000, -0.0016088400000000, -0.0010282900000000 ] - [ -0.0007016000000000, 0.0001137500000000, 0.0001436600000000 ] - [ 0.0004786300000000, 0.0025464200000000, -0.0014131800000000 ] - [ 0.0065119800000000, -0.0047193700000000, 0.0010698900000000 ] - [ -0.0014082600000000, 0.0000082500000000, 0.0001662700000000 ] - [ 0.0118754900000000, 0.0187092700000000, 0.0098082600000000 ] - [ -0.0010949100000000, 0.0001950900000000, 0.0000284500000000 ] - [ -0.0013204500000000, -0.0031553800000000, 0.0025872200000000 ] - [ -0.0005756400000000, -0.0002001500000000, 0.0002036800000000 ] - [ 0.0118114000000000, 0.0189649300000000, 0.0112833300000000 ] - [ -0.0013822000000000, 0.0001272500000000, -0.0000925400000000 ] - [ -0.0043256100000000, -0.0006534400000000, 0.0008063000000000 ] - [ 0.0043651800000000, 0.0001040700000000, -0.0034377400000000 ] - [ -0.0010496100000000, 0.0016660300000000, 0.0000038500000000 ] - [ -0.0032426900000000, 0.0065208800000000, -0.0015052500000000 ] - [ 0.0001305400000000, -0.0014162400000000, -0.0000576200000000 ] - [ -0.0082846600000000, -0.0005869400000000, 0.0047514600000000 ] - [ 0.0077375800000000, -0.0024038700000000, -0.0069725900000000 ] - [ -0.0022907000000000, 0.0004589100000000, 0.0009093800000000 ] - [ 0.0020983900000000, -0.0161400700000000, -0.0073476700000000 ] - [ -0.0018489300000000, -0.0006629500000000, -0.0001083500000000 ] - [ -0.0750609800000000, 0.0166115000000000, 0.0023515800000000 ] - [ -0.0018238100000000, 0.0005593100000000, 0.0004219200000000 ] - [ 0.0008313100000000, 0.0071066300000000, -0.0038206900000000 ] - [ -0.0019499700000000, 0.0011130700000000, -0.0001219600000000 ] - [ 0.0018232300000000, 0.0174653500000000, -0.0768217500000000 ] - [ -0.0019345300000000, -0.0000540800000000, 0.0001278100000000 ] - [ 0.0236113600000000, -0.1643636900000000, 0.0241879800000000 ] - [ -0.0021152100000000, 0.0002648500000000, -0.0010354100000000 ] - [ -0.0010133900000000, 0.0075593500000000, -0.0009714400000000 ] - [ -0.0016259000000000, 0.0012531600000000, -0.0014124900000000 ] - [ -0.0002364100000000, -0.0012456700000000, -0.0011419200000000 ] - [ -0.0027238400000000, 0.0000798000000000, 0.0011289300000000 ] - [ -0.0067902800000000, -0.0162056000000000, -0.0006999700000000 ] - [ -0.0023162300000000, -0.0020519400000000, -0.0002411300000000 ] - [ 0.0030300200000000, 0.0022516800000000, -0.0002169800000000 ] - [ 0.0015898000000000, 0.0026267800000000, -0.0003999000000000 ] - [ 0.0006694000000000, -0.0007782900000000, -0.0000083700000000 ] - [ 0.0005796500000000, -0.0015923800000000, 0.0013863700000000 ] - [ -0.0002409300000000, -0.0001278100000000, 0.0000342400000000 ] - [ 0.0016360600000000, -0.0004317200000000, -0.0021583300000000 ] - [ 0.0003174400000000, -0.0005273100000000, -0.0001162800000000 ] - [ 0.0003877500000000, -0.0022435500000000, -0.0005104400000000 ] - [ 0.0013122300000000, -0.0007002200000000, -0.0002255200000000 ] - [ -0.0007094200000000, -0.0023314300000000, 0.0009263500000000 ] - [ 0.0012480800000000, 0.0009024300000000, -0.0001477500000000 ] - [ 0.0001658300000000, 0.0025943100000000, 0.0010147900000000 ] - [ 0.0003336600000000, -0.0002596400000000, -0.0002076200000000 ] - [ 0.0096729700000000, -0.0017367400000000, -0.0002738800000000 ] - [ 0.0020263900000000, -0.0000347200000000, -0.0006009400000000 ] - [ -0.0040758700000000, -0.0003034500000000, 0.0018448200000000 ] - [ 0.0090866200000000, 0.0012181300000000, -0.0096879600000000 ] - [ 0.0008115500000000, 0.0001721400000000, -0.0002215900000000 ] - [ -0.0052559600000000, 0.0032048000000000, -0.0009521500000000 ] - [ 0.0013819800000000, 0.0001485600000000, -0.0002381000000000 ] - [ 0.0032944200000000, -0.0135262400000000, 0.0013175100000000 ] - [ 0.0008942200000000, -0.0004560400000000, 0.0000181200000000 ] - [ 0.0037636700000000, 0.0065353100000000, 0.0081156800000000 ] - [ 0.0004056100000000, 0.0002895300000000, -0.0000480000000000 ] - [ -0.0007061900000000, 0.0046738100000000, 0.0039912500000000 ] - [ 0.0005009400000000, 0.0001043700000000, -0.0001803900000000 ] - [ -0.0103622900000000, 0.0012514100000000, 0.0092157700000000 ] - [ 0.0014426400000000, -0.0002386700000000, -0.0003697900000000 ] - [ -0.0022556700000000, 0.0223395200000000, 0.0017130500000000 ] - [ 0.0011111700000000, -0.0000222400000000, 0.0001128400000000 ] - [ -0.0026914900000000, -0.0024008300000000, 0.0009068800000000 ] - [ 0.0013021900000000, -0.0006609400000000, -0.0001778600000000 ] - [ 0.0210602700000000, 0.0343168700000000, -0.0024722100000000 ] - [ 0.0013442200000000, -0.0000742500000000, 0.0001827900000000 ] - [ -0.0025284500000000, -0.0023253700000000, 0.0102705300000000 ] - [ 0.0009592800000000, -0.0003604900000000, -0.0002374500000000 ] - [ -0.0018014200000000, 0.0145966700000000, 0.0064018700000000 ] - [ 0.0010164700000000, 0.0000078900000000, 0.0003745300000000 ] - [ -0.0023410100000000, 0.0278276200000000, 0.0224421100000000 ] - [ 0.0004555500000000, -0.0000289700000000, 0.0001485000000000 ] - [ 0.0002897300000000, -0.0134318500000000, 0.0044369800000000 ] - [ 0.0005360300000000, -0.0002844900000000, 0.0000052800000000 ] - [ -0.0004663600000000, -0.0029132400000000, 0.0006607900000000 ] - [ 0.0012511500000000, -0.0007189600000000, 0.0000071200000000 ] - [ 0.0018510500000000, 0.0220179700000000, -0.0038565900000000 ] - [ 0.0009527300000000, 0.0002242600000000, 0.0003493400000000 ] - [ 0.0002595000000000, -0.0065538200000000, 0.0012895600000000 ] - [ 0.0012009800000000, -0.0001771800000000, 0.0002707800000000 ] - [ 0.0030936200000000, 0.0147434000000000, -0.0015440500000000 ] - [ 0.0014374700000000, 0.0004986000000000, 0.0002719000000000 ] - [ 0.0008554400000000, -0.0015600900000000, 0.0009507900000000 ] - [ 0.0008979300000000, -0.0005690200000000, 0.0001314700000000 ] - [ 0.0079956300000000, 0.0069293600000000, 0.0044629500000000 ] - [ 0.0009448900000000, 0.0005600200000000, -0.0001427200000000 ] - [ 0.0003901700000000, 0.0031165700000000, 0.0021431400000000 ] - [ 0.0003456700000000, 0.0006569000000000, -0.0002756400000000 ] - [ -0.0023677600000000, -0.0024374200000000, 0.0039177000000000 ] - [ 0.0008586100000000, -0.0002676000000000, 0.0000724100000000 ] - [ -0.0003078600000000, -0.0061499600000000, 0.0003736900000000 ] - [ 0.0019182700000000, -0.0008100600000000, 0.0011668200000000 ] - [ -0.0028514800000000, 0.0030647000000000, -0.0030374700000000 ] - [ 0.0023306100000000, 0.0005956400000000, -0.0005771200000000 ] - [ 0.0046470700000000, -0.0021471000000000, -0.0021807500000000 ] - [ -0.0008260100000000, -0.0007407300000000, 0.0002831900000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016984200000000, 0.0028269600000000, -0.0025223100000000 ] - [ 0.0003896700000000, 0.0002374800000000, 0.0000300900000000 ] - [ -0.0009436400000000, -0.0041293700000000, 0.0142557700000000 ] - [ 0.0005480500000000, 0.0002934400000000, -0.0000299000000000 ] - [ 0.0137989400000000, -0.0040779700000000, -0.0009674700000000 ] - [ 0.0001176500000000, -0.0000366200000000, -0.0000705500000000 ] - [ 0.0012483100000000, -0.0008327200000000, 0.0005312300000000 ] - [ -0.0000892400000000, -0.0004785500000000, -0.0004926500000000 ] - [ -0.0043330100000000, 0.0019951500000000, 0.0010119600000000 ] - [ 0.0016638000000000, 0.0016170900000000, 0.0010120900000000 ] - [ 0.0005163700000000, -0.0001677300000000, -0.0000460500000000 ] - [ -0.0006590400000000, -0.0026009200000000, 0.0015129800000000 ] - [ -0.0063332500000000, 0.0046902900000000, -0.0011606800000000 ] - [ 0.0015737400000000, -0.0000509300000000, -0.0002663900000000 ] - [ -0.0121885300000000, -0.0188651400000000, -0.0099547300000000 ] - [ 0.0009096500000000, -0.0001707200000000, -0.0000242300000000 ] - [ 0.0012844000000000, 0.0032642400000000, -0.0024190200000000 ] - [ 0.0005446400000000, 0.0002352200000000, -0.0000998800000000 ] - [ -0.0116282200000000, -0.0187583600000000, -0.0112464400000000 ] - [ 0.0013969300000000, -0.0000931100000000, -0.0000080300000000 ] - [ 0.0045967800000000, 0.0007678600000000, -0.0008289700000000 ] - [ -0.0040987800000000, -0.0000031000000000, 0.0034010700000000 ] - [ 0.0011184800000000, -0.0018464500000000, -0.0000729100000000 ] - [ 0.0032538500000000, -0.0066636500000000, 0.0014139100000000 ] - [ -0.0006335600000000, 0.0012481900000000, -0.0000295200000000 ] - [ 0.0077758100000000, 0.0004366200000000, -0.0047951000000000 ] - [ -0.0072645200000000, 0.0022903800000000, 0.0070608900000000 ] - [ 0.0027711000000000, -0.0005920700000000, -0.0008299100000000 ] - [ -0.0018393500000000, 0.0159510800000000, 0.0075312400000000 ] - [ 0.0017981200000000, 0.0004785300000000, 0.0001981900000000 ] - [ 0.0741010000000000, -0.0162847900000000, -0.0023227200000000 ] - [ 0.0015366900000000, -0.0004750500000000, -0.0003770000000000 ] - [ -0.0007856400000000, -0.0072676300000000, 0.0039991000000000 ] - [ 0.0019708600000000, -0.0012216800000000, 0.0003296700000000 ] - [ -0.0016745300000000, -0.0177002900000000, 0.0773437600000000 ] - [ 0.0020229000000000, 0.0000443700000000, -0.0003913000000000 ] - [ -0.0222623700000000, 0.1641149500000000, -0.0252448200000000 ] - [ 0.0023796100000000, -0.0002046500000000, 0.0008605500000000 ] - [ 0.0008071700000000, -0.0075115400000000, 0.0010887600000000 ] - [ 0.0013350600000000, -0.0011927400000000, 0.0015704500000000 ] - [ 0.0001349200000000, 0.0011802600000000, 0.0013867000000000 ] - [ 0.0026087300000000, -0.0000891400000000, -0.0008575700000000 ] - [ 0.0066299400000000, 0.0161041000000000, 0.0001934800000000 ] - [ 0.0022708900000000, 0.0019256500000000, 0.0000332400000000 ] - [ -0.0028535400000000, -0.0023670500000000, 0.0003007600000000 ] - [ -0.0014398000000000, -0.0027615300000000, 0.0004905100000000 ] - [ -0.0005832100000000, 0.0008309200000000, -0.0000642200000000 ] - [ -0.0004753400000000, 0.0016437600000000, -0.0014519300000000 ] - [ 0.0000926900000000, -0.0000953500000000, -0.0000722800000000 ] - [ -0.0017799500000000, 0.0002048700000000, 0.0021026700000000 ] - [ -0.0004321000000000, 0.0005022500000000, 0.0002490300000000 ] - [ -0.0004988000000000, 0.0022054200000000, 0.0006488700000000 ] - [ -0.0011998500000000, 0.0009804200000000, 0.0002292300000000 ] - [ 0.0008158700000000, 0.0026211600000000, -0.0009095700000000 ] - [ -0.0010935200000000, -0.0009409900000000, 0.0000242200000000 ] - [ -0.0000712700000000, -0.0026246500000000, -0.0011056800000000 ] - [ -0.0001828500000000, 0.0004139700000000, 0.0003572700000000 ] - [ -0.0094698700000000, 0.0018441500000000, 0.0004192800000000 ] - [ -0.0020215000000000, 0.0000598500000000, 0.0004651500000000 ] - [ 0.0040821000000000, 0.0003297500000000, -0.0019833000000000 ] - [ -0.0090421100000000, -0.0011716400000000, 0.0098051700000000 ] - [ -0.0008006100000000, -0.0001421500000000, 0.0003526000000000 ] - [ 0.0051181500000000, -0.0031312200000000, 0.0008233600000000 ] - [ -0.0015100100000000, -0.0000190400000000, 0.0000883400000000 ] - [ -0.0033955100000000, 0.0135676300000000, -0.0012139600000000 ] - [ -0.0010228100000000, 0.0004351100000000, 0.0000916600000000 ] - [ -0.0038811600000000, -0.0061253900000000, -0.0080801500000000 ] - [ -0.0005075300000000, 0.0000232100000000, 0.0000367100000000 ] - [ 0.0008283000000000, -0.0047437800000000, -0.0041636200000000 ] - [ -0.0003839400000000, -0.0001414300000000, 0.0000316300000000 ] - [ 0.0105121900000000, -0.0015020400000000, -0.0092263600000000 ] - [ -0.0012831200000000, 0.0000099200000000, 0.0004126900000000 ] - [ 0.0028143300000000, -0.0224158500000000, -0.0015674100000000 ] - [ -0.0012015900000000, 0.0000791500000000, -0.0000405200000000 ] - [ 0.0025449500000000, 0.0022578200000000, -0.0009974100000000 ] - [ -0.0014429600000000, 0.0005135200000000, 0.0000843500000000 ] - [ -0.0214046700000000, -0.0298037000000000, 0.0026627200000000 ] - [ -0.0012776700000000, 0.0001095400000000, 0.0000114800000000 ] - [ 0.0025635700000000, 0.0021607400000000, -0.0105451000000000 ] - [ -0.0009239600000000, 0.0001743400000000, 0.0000421100000000 ] - [ 0.0015971400000000, -0.0143556400000000, -0.0056325800000000 ] - [ -0.0011502900000000, -0.0000889800000000, -0.0002732100000000 ] - [ 0.0020611700000000, -0.0322008700000000, -0.0220550800000000 ] - [ -0.0006407200000000, 0.0000021600000000, -0.0000823200000000 ] - [ -0.0002152700000000, 0.0133786000000000, -0.0044343900000000 ] - [ -0.0004599600000000, 0.0003230000000000, 0.0000253300000000 ] - [ 0.0003693000000000, 0.0026997200000000, -0.0005387100000000 ] - [ -0.0013282600000000, 0.0004611500000000, 0.0001159200000000 ] - [ -0.0021612400000000, -0.0218790400000000, 0.0032369600000000 ] - [ -0.0011608100000000, -0.0002597900000000, -0.0002991200000000 ] - [ -0.0001733000000000, 0.0067169500000000, -0.0010998400000000 ] - [ -0.0010682300000000, 0.0003243800000000, -0.0001368300000000 ] - [ -0.0039364900000000, -0.0148666400000000, 0.0014570200000000 ] - [ -0.0015550200000000, -0.0003476800000000, -0.0004005800000000 ] - [ -0.0006519500000000, 0.0015420900000000, -0.0009847100000000 ] - [ -0.0006768500000000, 0.0005324300000000, -0.0001787800000000 ] - [ -0.0079572200000000, -0.0073086200000000, -0.0045754000000000 ] - [ -0.0008534400000000, -0.0008106400000000, 0.0000198000000000 ] - [ -0.0004695100000000, -0.0030582100000000, -0.0021471900000000 ] - [ -0.0004140600000000, -0.0006165700000000, 0.0002392100000000 ] - [ 0.0025359600000000, 0.0024579300000000, -0.0039551400000000 ] - [ -0.0006656900000000, 0.0002420000000000, -0.0001346800000000 ] - [ 0.0003849900000000, 0.0060648500000000, -0.0004557400000000 ] - [ -0.0017632800000000, 0.0007243700000000, -0.0012590300000000 ] - [ 0.0028013400000000, -0.0031844400000000, 0.0032427000000000 ] - [ -0.0023510600000000, -0.0007762600000000, 0.0007642700000000 ] - [ -0.0047299700000000, 0.0021438700000000, 0.0020024700000000 ] - [ 0.0007678700000000, 0.0007712100000000, -0.0004756700000000 ]- atom: 37 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ -0.0078834600000000, 0.0051638600000000, 0.0104404500000000 ] - [ 0.0007123800000000, 0.0000784100000000, 0.0002854200000000 ] - [ -0.0019547000000000, -0.0161555100000000, 0.0049891400000000 ] - [ 0.0006867900000000, 0.0003627500000000, -0.0001276700000000 ] - [ 0.0000469500000000, -0.0000428100000000, -0.0044831900000000 ] - [ 0.0004805300000000, -0.0000120800000000, -0.0005659000000000 ] - [ 0.0012245300000000, -0.0006925500000000, 0.0015291300000000 ] - [ 0.0003844500000000, 0.0001415000000000, 0.0002732900000000 ] - [ -0.0042945800000000, -0.0006645900000000, -0.0035766900000000 ] - [ 0.0026144500000000, -0.0010178600000000, -0.0013587900000000 ] - [ 0.0006745300000000, 0.0004870900000000, 0.0005500200000000 ] - [ 0.0004734900000000, -0.0022913100000000, 0.0027314700000000 ] - [ -0.0049479700000000, 0.0006412300000000, -0.0041165400000000 ] - [ 0.0027677100000000, -0.0014072700000000, -0.0012414800000000 ] - [ -0.0020749000000000, 0.0052014100000000, -0.0046290300000000 ] - [ 0.0011370300000000, 0.0000819600000000, -0.0004391400000000 ] - [ -0.0140012600000000, 0.0114124500000000, 0.0229606000000000 ] - [ 0.0015615500000000, -0.0002681000000000, 0.0004635100000000 ] - [ -0.0000138000000000, 0.0033726400000000, -0.0040106200000000 ] - [ 0.0011987000000000, 0.0002685500000000, -0.0001143600000000 ] - [ -0.0030113900000000, -0.0003968500000000, -0.0006462900000000 ] - [ 0.0062535200000000, 0.0071866700000000, 0.0010067100000000 ] - [ 0.0008909900000000, 0.0005445800000000, -0.0030295000000000 ] - [ 0.0006488600000000, 0.0001190500000000, -0.0021224100000000 ] - [ 0.0047096700000000, 0.0054680300000000, -0.0003781700000000 ] - [ -0.0016563500000000, 0.0003747400000000, -0.0003225500000000 ] - [ -0.0061280100000000, 0.0089124900000000, 0.0170137800000000 ] - [ 0.0023168500000000, -0.0008674300000000, 0.0001440800000000 ] - [ 0.0683475700000000, -0.0012721200000000, 0.0155454500000000 ] - [ 0.0014081600000000, -0.0005967600000000, -0.0000274600000000 ] - [ -0.0026598400000000, -0.0034872000000000, -0.0165140500000000 ] - [ 0.0030474800000000, -0.0003687200000000, -0.0024540000000000 ] - [ -0.0041657900000000, -0.0010216100000000, 0.0090746900000000 ] - [ 0.0024782500000000, -0.0008362700000000, 0.0009526500000000 ] - [ -0.0113557000000000, -0.0694290000000000, 0.0172518100000000 ] - [ 0.0024682200000000, -0.0000179100000000, -0.0001943000000000 ] - [ -0.0360093100000000, 0.0250715000000000, -0.2118868400000000 ] - [ 0.0033388100000000, -0.0009052500000000, 0.0004103500000000 ] - [ -0.0013685600000000, 0.0010512400000000, -0.0002894200000000 ] - [ 0.0030100500000000, 0.0015092100000000, 0.0009037200000000 ] - [ -0.0027129000000000, 0.0039322600000000, 0.0120687600000000 ] - [ 0.0020655700000000, -0.0001164100000000, 0.0009959000000000 ] - [ 0.0598310400000000, 0.0072919700000000, 0.0113805000000000 ] - [ 0.0016788100000000, 0.0006869300000000, 0.0003585700000000 ] - [ -0.0112008200000000, -0.0050685700000000, 0.0024259000000000 ] - [ -0.0005728600000000, -0.0003559300000000, 0.0004724900000000 ] - [ 0.0010427300000000, -0.0005741800000000, 0.0007694000000000 ] - [ -0.0016724900000000, -0.0011459900000000, 0.0003335600000000 ] - [ -0.0004857500000000, -0.0009057200000000, -0.0021140900000000 ] - [ -0.0011458200000000, 0.0000549700000000, -0.0010457100000000 ] - [ -0.0009159300000000, -0.0012705600000000, 0.0017887500000000 ] - [ 0.0000222400000000, -0.0001369300000000, 0.0012246200000000 ] - [ -0.0005384700000000, 0.0003435600000000, 0.0018468000000000 ] - [ -0.0002498400000000, -0.0009301600000000, 0.0018639300000000 ] - [ -0.0001725200000000, 0.0005199200000000, 0.0005013200000000 ] - [ -0.0107381000000000, -0.0050801800000000, 0.0023143200000000 ] - [ -0.0012320900000000, -0.0008039000000000, 0.0015212800000000 ] - [ -0.0007665400000000, 0.0010168800000000, 0.0023972200000000 ] - [ -0.0011230000000000, 0.0000573900000000, -0.0010383200000000 ] - [ 0.0015013800000000, -0.0009458000000000, -0.0035285800000000 ] - [ 0.0035570000000000, -0.0019868300000000, 0.0043216400000000 ] - [ -0.0032243000000000, -0.0005063400000000, 0.0016583200000000 ] - [ -0.0066533200000000, -0.0080669900000000, -0.0034038800000000 ] - [ -0.0002637800000000, 0.0001853400000000, 0.0000135800000000 ] - [ 0.0005956800000000, 0.0021220500000000, 0.0011024700000000 ] - [ -0.0012646100000000, -0.0002853500000000, 0.0005441200000000 ] - [ -0.0054147400000000, 0.0105391400000000, 0.0043699900000000 ] - [ -0.0006399500000000, 0.0004749700000000, 0.0005198900000000 ] - [ -0.0023142600000000, -0.0064454000000000, -0.0153693500000000 ] - [ -0.0004855300000000, 0.0002750100000000, -0.0003054300000000 ] - [ 0.0114710800000000, 0.0034347100000000, -0.0089741900000000 ] - [ -0.0017652000000000, 0.0003251500000000, -0.0000887300000000 ] - [ -0.0018736300000000, 0.0018068700000000, 0.0180591200000000 ] - [ -0.0018224600000000, 0.0004525100000000, 0.0006095100000000 ] - [ 0.0040164100000000, -0.0011063000000000, -0.0021952800000000 ] - [ -0.0016897900000000, 0.0002326300000000, -0.0000596700000000 ] - [ 0.0028413100000000, 0.0047160800000000, 0.0188691800000000 ] - [ -0.0019610000000000, 0.0004272100000000, 0.0002898200000000 ] - [ 0.0030124600000000, 0.0004651800000000, -0.0117361900000000 ] - [ -0.0010715400000000, 0.0001147200000000, -0.0003113400000000 ] - [ -0.0162878400000000, -0.0009355800000000, 0.0647943500000000 ] - [ -0.0014424100000000, 0.0001905800000000, 0.0000687100000000 ] - [ 0.0019134600000000, -0.0015119900000000, 0.0283484300000000 ] - [ -0.0008350300000000, 0.0001494100000000, 0.0000762700000000 ] - [ 0.0001233700000000, 0.0115395100000000, -0.0057321000000000 ] - [ -0.0004992400000000, 0.0001650300000000, -0.0002288900000000 ] - [ 0.0021317200000000, 0.0011791400000000, -0.0063018700000000 ] - [ -0.0013927100000000, 0.0001329600000000, -0.0001660100000000 ] - [ -0.0139405500000000, 0.0130298800000000, 0.0383150100000000 ] - [ -0.0012550500000000, 0.0000040600000000, -0.0001543800000000 ] - [ 0.0015185300000000, 0.0004273100000000, -0.0013370700000000 ] - [ -0.0018593900000000, -0.0000585400000000, -0.0002227900000000 ] - [ 0.0045754200000000, -0.0002160500000000, 0.0198566000000000 ] - [ -0.0021787000000000, 0.0001177700000000, 0.0002998300000000 ] - [ 0.0005038700000000, -0.0005674400000000, -0.0026029100000000 ] - [ -0.0009933900000000, -0.0000506200000000, -0.0006975000000000 ] - [ -0.0062461000000000, 0.0079661800000000, -0.0003537300000000 ] - [ -0.0011176200000000, -0.0004683400000000, -0.0001245300000000 ] - [ -0.0001638000000000, -0.0024546100000000, -0.0137063300000000 ] - [ -0.0006215600000000, -0.0000352700000000, -0.0006094600000000 ] - [ 0.0036949100000000, 0.0031367700000000, -0.0043075400000000 ] - [ -0.0009163700000000, -0.0000592300000000, -0.0005456700000000 ] - [ 0.0001190300000000, 0.0003717700000000, 0.0021962000000000 ] - [ -0.0009515200000000, -0.0002143500000000, 0.0002656000000000 ] - [ -0.0048153700000000, -0.0051039100000000, -0.0033728600000000 ] - [ -0.0004542600000000, -0.0002582100000000, -0.0001130400000000 ] - [ 0.0056549700000000, -0.0044382900000000, 0.0001166000000000 ] - [ -0.0032847300000000, -0.0014799700000000, -0.0002090400000000 ]- atom: 37 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ 0.0075204400000000, -0.0047642400000000, -0.0103435300000000 ] - [ -0.0009854500000000, 0.0002398700000000, -0.0002937900000000 ] - [ 0.0021283500000000, 0.0166161600000000, -0.0047896000000000 ] - [ -0.0004912800000000, -0.0001033900000000, 0.0003518600000000 ] - [ -0.0002847700000000, 0.0003574300000000, 0.0042602200000000 ] - [ -0.0006740000000000, 0.0002699300000000, 0.0003384200000000 ] - [ -0.0009476600000000, 0.0010114800000000, -0.0015184000000000 ] - [ -0.0001097300000000, 0.0001759300000000, -0.0002651600000000 ] - [ 0.0044330500000000, 0.0006672400000000, 0.0036039800000000 ] - [ -0.0024351000000000, 0.0010477200000000, 0.0013576700000000 ] - [ -0.0008527200000000, -0.0005367300000000, -0.0004506200000000 ] - [ -0.0006575400000000, 0.0022335700000000, -0.0026264100000000 ] - [ 0.0051348900000000, -0.0007024900000000, 0.0039932200000000 ] - [ -0.0025813900000000, 0.0013489200000000, 0.0011312300000000 ] - [ 0.0018966300000000, -0.0051874700000000, 0.0046640400000000 ] - [ -0.0013170300000000, -0.0000586400000000, 0.0004385200000000 ] - [ 0.0140996100000000, -0.0115111600000000, -0.0230660200000000 ] - [ -0.0015892800000000, 0.0003016900000000, -0.0003671300000000 ] - [ 0.0000224100000000, -0.0033754600000000, 0.0038438200000000 ] - [ -0.0011679800000000, -0.0002353600000000, 0.0000164300000000 ] - [ 0.0033002600000000, 0.0004929800000000, 0.0006318700000000 ] - [ -0.0059921300000000, -0.0071187500000000, -0.0010214600000000 ] - [ -0.0008733200000000, -0.0007321000000000, 0.0029162100000000 ] - [ -0.0005937600000000, -0.0003166300000000, 0.0020148400000000 ] - [ -0.0052114900000000, -0.0055879700000000, 0.0002789100000000 ] - [ 0.0011588800000000, -0.0005125100000000, 0.0002326900000000 ] - [ 0.0066097600000000, -0.0090558400000000, -0.0169053600000000 ] - [ -0.0018007900000000, 0.0007221900000000, -0.0000615200000000 ] - [ -0.0688547500000000, 0.0011336200000000, -0.0155272000000000 ] - [ -0.0014421200000000, 0.0004023000000000, 0.0001334400000000 ] - [ 0.0026879000000000, 0.0035022100000000, 0.0164817200000000 ] - [ -0.0033160600000000, 0.0004530100000000, 0.0024698800000000 ] - [ 0.0041925800000000, 0.0009620400000000, -0.0088390700000000 ] - [ -0.0024341100000000, 0.0007403000000000, -0.0007385500000000 ] - [ 0.0114773500000000, 0.0687672500000000, -0.0173236400000000 ] - [ -0.0023626800000000, 0.0000095800000000, -0.0000662500000000 ] - [ 0.0366514900000000, -0.0240522800000000, 0.2141204700000000 ] - [ -0.0030548200000000, 0.0009610900000000, -0.0005786800000000 ] - [ 0.0010732900000000, -0.0009979100000000, 0.0004892600000000 ] - [ -0.0032821700000000, -0.0014543600000000, -0.0007308500000000 ] - [ 0.0026497500000000, -0.0039165400000000, -0.0118079000000000 ] - [ -0.0021604700000000, 0.0001120100000000, -0.0007390500000000 ] - [ -0.0592206700000000, -0.0074078500000000, -0.0115862600000000 ] - [ -0.0017123900000000, -0.0007784700000000, -0.0005712800000000 ] - [ 0.0113230300000000, 0.0048870800000000, -0.0023413800000000 ] - [ 0.0007344900000000, 0.0001909000000000, -0.0003878700000000 ] - [ -0.0009251000000000, 0.0006169900000000, -0.0008562300000000 ] - [ 0.0017893200000000, 0.0011944000000000, -0.0004218800000000 ] - [ 0.0003453300000000, 0.0006805700000000, 0.0020836600000000 ] - [ 0.0010076000000000, -0.0002765200000000, 0.0010170000000000 ] - [ 0.0007941000000000, 0.0012430500000000, -0.0016185700000000 ] - [ -0.0001444900000000, 0.0001189800000000, -0.0010578200000000 ] - [ 0.0006499200000000, -0.0000260700000000, -0.0018294400000000 ] - [ 0.0003476700000000, 0.0012573600000000, -0.0018506100000000 ] - [ 0.0003069100000000, -0.0005409000000000, -0.0006184500000000 ] - [ 0.0108716100000000, 0.0050781100000000, -0.0024227700000000 ] - [ 0.0013683000000000, 0.0009346900000000, -0.0013695400000000 ] - [ 0.0008686300000000, -0.0009055500000000, -0.0022559000000000 ] - [ 0.0010982400000000, -0.0000394300000000, 0.0008873400000000 ] - [ -0.0015145600000000, 0.0009646500000000, 0.0033754100000000 ] - [ -0.0035425800000000, 0.0019857600000000, -0.0040925600000000 ] - [ 0.0032354000000000, 0.0005205900000000, -0.0015029700000000 ] - [ 0.0065598900000000, 0.0081970600000000, 0.0032428600000000 ] - [ 0.0001350100000000, -0.0000580500000000, -0.0001590500000000 ] - [ -0.0007444700000000, -0.0021135800000000, -0.0009922700000000 ] - [ 0.0011413200000000, 0.0002687100000000, -0.0004391300000000 ] - [ 0.0053099300000000, -0.0102073900000000, -0.0044413400000000 ] - [ 0.0005346500000000, -0.0001473500000000, -0.0005378300000000 ] - [ 0.0024750300000000, 0.0063985100000000, 0.0150865100000000 ] - [ 0.0006057500000000, -0.0002938300000000, 0.0001345000000000 ] - [ -0.0113167100000000, -0.0036112700000000, 0.0090019600000000 ] - [ 0.0018988200000000, -0.0005443800000000, 0.0001145100000000 ] - [ 0.0025119000000000, -0.0019359100000000, -0.0181540800000000 ] - [ 0.0017016400000000, -0.0004076700000000, -0.0005229700000000 ] - [ -0.0041743300000000, 0.0009464100000000, 0.0021016900000000 ] - [ 0.0015160900000000, -0.0003930800000000, -0.0000272800000000 ] - [ -0.0027893300000000, -0.0050782800000000, -0.0188808300000000 ] - [ 0.0020234100000000, -0.0003842900000000, -0.0000971600000000 ] - [ -0.0029720000000000, -0.0006090800000000, 0.0116058100000000 ] - [ 0.0011102000000000, -0.0002878900000000, 0.0001281000000000 ] - [ 0.0154930400000000, 0.0008089500000000, -0.0714139300000000 ] - [ 0.0013079300000000, -0.0002697200000000, 0.0000113400000000 ] - [ -0.0020672800000000, 0.0019989700000000, -0.0283837300000000 ] - [ 0.0006469900000000, -0.0001822400000000, -0.0000277000000000 ] - [ -0.0000580400000000, -0.0114682500000000, 0.0057275500000000 ] - [ 0.0005774300000000, -0.0001392500000000, 0.0002480700000000 ] - [ -0.0022512800000000, -0.0015233000000000, 0.0064156300000000 ] - [ 0.0012856400000000, -0.0004201600000000, 0.0002908700000000 ] - [ 0.0139267600000000, -0.0134067700000000, -0.0334432200000000 ] - [ 0.0010317800000000, -0.0000287800000000, 0.0002172700000000 ] - [ -0.0014013100000000, -0.0002840500000000, 0.0014415900000000 ] - [ 0.0019622900000000, 0.0002047200000000, 0.0003618300000000 ] - [ -0.0056129600000000, 0.0002967400000000, -0.0198914800000000 ] - [ 0.0020663500000000, 0.0000273900000000, -0.0004397900000000 ] - [ -0.0002826400000000, 0.0005406900000000, 0.0025261700000000 ] - [ 0.0012155800000000, 0.0000286900000000, 0.0006291700000000 ] - [ 0.0063022000000000, -0.0082178900000000, 0.0002643300000000 ] - [ 0.0012173300000000, 0.0001850400000000, -0.0000018000000000 ] - [ 0.0000324600000000, 0.0024878400000000, 0.0137601600000000 ] - [ 0.0005429000000000, 0.0000521700000000, 0.0005832600000000 ] - [ -0.0035312600000000, -0.0031947300000000, 0.0042455400000000 ] - [ 0.0011014000000000, 0.0000235200000000, 0.0004979100000000 ] - [ 0.0000382100000000, -0.0004436200000000, -0.0022871600000000 ] - [ 0.0010805800000000, 0.0001362000000000, -0.0003485400000000 ] - [ 0.0047431300000000, 0.0049234400000000, 0.0035857700000000 ] - [ 0.0004088300000000, 0.0000788400000000, 0.0002925100000000 ] - [ -0.0057647600000000, 0.0045114800000000, -0.0003268000000000 ] - [ 0.0032170900000000, 0.0015283800000000, 0.0000127800000000 ]- atom: 45 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ -0.0019090800000000, 0.0015330100000000, 0.0009600800000000 ] - [ -0.0028868300000000, -0.0002837200000000, -0.0012872200000000 ] - [ 0.0002055000000000, 0.0008420500000000, 0.0000615500000000 ] - [ -0.0007844200000000, -0.0003569000000000, 0.0005643300000000 ] - [ 0.0025707500000000, -0.0017674000000000, -0.0025244500000000 ] - [ -0.0012375700000000, 0.0006099100000000, 0.0003578500000000 ] - [ 0.0043500500000000, -0.0013704100000000, 0.0006835300000000 ] - [ -0.0012024700000000, 0.0001387600000000, -0.0002317200000000 ] - [ 0.0083416300000000, 0.0014438100000000, 0.0009028900000000 ] - [ -0.0025471600000000, -0.0001079300000000, 0.0004106000000000 ] - [ 0.0011877900000000, -0.0008207900000000, -0.0002454200000000 ] - [ -0.0020378200000000, -0.0001293700000000, -0.0000219300000000 ] - [ -0.0032153500000000, 0.0001917000000000, -0.0001583400000000 ] - [ 0.0293250200000000, -0.0212169600000000, -0.0173519800000000 ] - [ -0.0008860300000000, -0.0011758700000000, -0.0009354400000000 ] - [ -0.0013985000000000, 0.0001580900000000, 0.0009569600000000 ] - [ 0.0007450200000000, -0.0028333600000000, 0.0028101100000000 ] - [ -0.0022919200000000, 0.0005086200000000, -0.0001241400000000 ] - [ 0.0016771000000000, 0.0017254000000000, -0.0026011000000000 ] - [ -0.0025832300000000, -0.0004321400000000, -0.0000541500000000 ] - [ 0.0077668700000000, 0.0013929800000000, 0.0006050800000000 ] - [ -0.0050002600000000, -0.0017974900000000, 0.0016198600000000 ] - [ 0.0080452000000000, -0.0029321700000000, 0.0050051800000000 ] - [ -0.0042254600000000, 0.0000415500000000, -0.0001496800000000 ] - [ 0.0303402500000000, -0.0239331600000000, -0.0075733800000000 ] - [ -0.0055292900000000, -0.0011774000000000, 0.0018899600000000 ] - [ -0.0046834800000000, -0.0007668200000000, 0.0036707500000000 ] - [ 0.0009171100000000, 0.0043821300000000, -0.0057477500000000 ] - [ -0.0045833500000000, -0.0001975000000000, -0.0005292900000000 ] - [ 0.0014891100000000, 0.0013833300000000, 0.0010191500000000 ] - [ -0.0053309600000000, 0.0031244100000000, 0.0011726300000000 ] - [ -0.0033105300000000, -0.0054645100000000, 0.0096110200000000 ] - [ 0.0005663300000000, -0.0012739600000000, 0.0041393000000000 ] - [ -0.0036793700000000, 0.0014170200000000, -0.0017369600000000 ] - [ -0.0093933000000000, -0.0092536900000000, 0.0019434000000000 ] - [ -0.0070509600000000, 0.0006766300000000, -0.0002033800000000 ] - [ -0.0067344800000000, 0.0029387600000000, -0.0113243400000000 ] - [ -0.0079467000000000, 0.0015251300000000, -0.0007840000000000 ] - [ 0.0075215100000000, 0.0026276400000000, 0.0042066100000000 ] - [ -0.0049414800000000, -0.0013515500000000, -0.0015436800000000 ] - [ 0.0129030300000000, 0.0129700200000000, 0.0075460100000000 ] - [ -0.0046819100000000, -0.0001038200000000, 0.0002458200000000 ] - [ 0.1100926100000000, 0.0127450800000000, -0.0119939800000000 ] - [ -0.0056974000000000, -0.0023033100000000, -0.0012967200000000 ] - [ -0.2169176200000000, 0.0181396300000000, 0.0382205100000000 ] - [ 0.0039842900000000, 0.0007939800000000, -0.0003570900000000 ] - [ -0.0044572100000000, -0.0003744200000000, -0.0018233300000000 ] - [ 0.0025586400000000, 0.0007073200000000, 0.0000414700000000 ] - [ -0.0120514300000000, 0.0019745900000000, 0.0090477900000000 ] - [ 0.0027942300000000, 0.0001413400000000, -0.0007840000000000 ] - [ -0.0040693500000000, 0.0103893800000000, -0.0039191400000000 ] - [ 0.0009578900000000, 0.0001740500000000, -0.0002874000000000 ] - [ -0.0035656500000000, -0.0013052300000000, -0.0032690500000000 ] - [ 0.0015735500000000, 0.0005421600000000, -0.0002408500000000 ] - [ -0.0040979600000000, -0.0006889400000000, -0.0006342700000000 ] - [ 0.0030117300000000, 0.0006029800000000, -0.0002917700000000 ] - [ -0.0038060000000000, 0.0055379500000000, -0.0048670500000000 ] - [ 0.0026265600000000, -0.0000853800000000, -0.0003297400000000 ] - [ -0.0036996100000000, -0.0009611700000000, 0.0018208400000000 ] - [ 0.0033548100000000, 0.0003347600000000, -0.0013323000000000 ] - [ 0.0036867100000000, -0.0005827500000000, -0.0011039700000000 ] - [ 0.0077384900000000, 0.0142810100000000, -0.0048356800000000 ] - [ 0.0021490800000000, 0.0006064800000000, -0.0005551600000000 ] - [ -0.0016276800000000, -0.0008978700000000, 0.0002071700000000 ] - [ 0.0023580900000000, -0.0008222800000000, 0.0000685500000000 ] - [ -0.0015526300000000, 0.0032045600000000, -0.0011233400000000 ] - [ 0.0010604100000000, -0.0007732900000000, 0.0001318500000000 ] - [ -0.0002594900000000, 0.0005172700000000, -0.0020074300000000 ] - [ 0.0012744000000000, 0.0000355500000000, -0.0006362500000000 ] - [ 0.0016640000000000, -0.0014241800000000, 0.0031556400000000 ] - [ 0.0049458300000000, 0.0004573700000000, -0.0023378500000000 ] - [ 0.0074256800000000, -0.0053757500000000, 0.0033958100000000 ] - [ 0.0040057000000000, -0.0013594600000000, 0.0013723800000000 ] - [ 0.0073169100000000, 0.0010656900000000, -0.0056057700000000 ] - [ 0.0011492500000000, 0.0006372100000000, -0.0006421600000000 ] - [ 0.0013803000000000, -0.0010098300000000, 0.0004042000000000 ] - [ 0.0025782900000000, -0.0029796300000000, 0.0009793300000000 ] - [ 0.0031893500000000, 0.0000711900000000, -0.0002429800000000 ] - [ 0.0017781000000000, 0.0015372600000000, -0.0027608600000000 ] - [ 0.0015779200000000, -0.0006263000000000, 0.0007962700000000 ] - [ 0.0024467700000000, -0.0000521200000000, 0.0028270000000000 ] - [ 0.0020659900000000, -0.0004424300000000, -0.0008450500000000 ] - [ 0.0009109700000000, 0.0020593300000000, 0.0027540800000000 ] - [ 0.0013578600000000, -0.0006237900000000, -0.0001837100000000 ] - [ 0.0006534200000000, 0.0033803200000000, -0.0017808200000000 ] - [ 0.0012971400000000, -0.0007115300000000, 0.0007224000000000 ] - [ -0.0006722100000000, -0.0014798100000000, -0.0012422000000000 ] - [ 0.0025854900000000, -0.0005958300000000, 0.0004506800000000 ] - [ 0.0209089800000000, 0.0017883500000000, 0.0073632900000000 ] - [ 0.0029983000000000, -0.0000703300000000, 0.0006711700000000 ] - [ -0.0027626700000000, 0.0000812900000000, -0.0012347500000000 ] - [ 0.0028673800000000, 0.0001197200000000, 0.0005295600000000 ] - [ 0.0063866700000000, -0.0007484300000000, 0.0146482300000000 ] - [ 0.0039193600000000, 0.0002139800000000, 0.0002230100000000 ] - [ -0.0027799900000000, -0.0014249600000000, -0.0024392900000000 ] - [ 0.0021802500000000, -0.0000339600000000, 0.0006864500000000 ] - [ 0.0067633100000000, 0.0175937200000000, 0.0002128100000000 ] - [ 0.0032944700000000, 0.0006754300000000, 0.0002476400000000 ] - [ 0.0019322200000000, -0.0091469800000000, -0.0178758800000000 ] - [ 0.0010668400000000, 0.0004496100000000, 0.0003221700000000 ] - [ -0.0024305800000000, -0.0024546800000000, -0.0025267700000000 ] - [ 0.0014513800000000, 0.0003100700000000, 0.0002194900000000 ] - [ -0.0059123600000000, -0.0001762100000000, -0.0010082300000000 ] - [ 0.0027768400000000, 0.0001797300000000, 0.0003468200000000 ] - [ 0.0044137200000000, -0.0239265200000000, -0.0041421200000000 ] - [ 0.0023931600000000, 0.0004511100000000, 0.0001254100000000 ] - [ -0.0057348700000000, 0.0001918700000000, -0.0005576900000000 ] - [ 0.0033110500000000, 0.0005820500000000, -0.0001316400000000 ]- atom: 45 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ 0.0016494000000000, -0.0012331100000000, -0.0009810900000000 ] - [ 0.0026175800000000, 0.0005928800000000, 0.0012782000000000 ] - [ -0.0000159700000000, -0.0005915100000000, 0.0001656100000000 ] - [ 0.0009875100000000, 0.0006189100000000, -0.0003425900000000 ] - [ -0.0028058600000000, 0.0020353100000000, 0.0023259000000000 ] - [ 0.0010513800000000, -0.0003541200000000, -0.0005870800000000 ] - [ -0.0041275000000000, 0.0017108700000000, -0.0006776000000000 ] - [ 0.0014880000000000, 0.0001806000000000, 0.0002434900000000 ] - [ -0.0082480900000000, -0.0014164900000000, -0.0009980000000000 ] - [ 0.0027475800000000, 0.0001302300000000, -0.0004151900000000 ] - [ -0.0013518600000000, 0.0007832500000000, 0.0003609100000000 ] - [ 0.0018682000000000, 0.0000782200000000, 0.0001229600000000 ] - [ 0.0034258600000000, -0.0002436700000000, 0.0000618000000000 ] - [ -0.0281581300000000, 0.0198405100000000, 0.0162179000000000 ] - [ 0.0007076100000000, 0.0012135600000000, 0.0009470400000000 ] - [ 0.0012353800000000, -0.0001311700000000, -0.0009631400000000 ] - [ -0.0007846400000000, 0.0028929900000000, -0.0027456100000000 ] - [ 0.0022811600000000, -0.0004780400000000, 0.0002233000000000 ] - [ -0.0016898600000000, -0.0016892900000000, 0.0025154400000000 ] - [ 0.0026308900000000, 0.0004681800000000, -0.0000410700000000 ] - [ -0.0075483900000000, -0.0013120900000000, -0.0006578300000000 ] - [ 0.0053097600000000, 0.0018904600000000, -0.0016573200000000 ] - [ -0.0080562200000000, 0.0027883200000000, -0.0052110600000000 ] - [ 0.0042869500000000, -0.0002320200000000, 0.0000455200000000 ] - [ -0.0308936000000000, 0.0240899200000000, 0.0075308600000000 ] - [ 0.0050584800000000, 0.0010419500000000, -0.0019893000000000 ] - [ 0.0052369400000000, 0.0006333200000000, -0.0036290600000000 ] - [ -0.0003696300000000, -0.0045332800000000, 0.0058298900000000 ] - [ 0.0045883400000000, 0.0000017400000000, 0.0006348500000000 ] - [ -0.0014991700000000, -0.0015885900000000, -0.0009084400000000 ] - [ 0.0050936300000000, -0.0030641100000000, -0.0011521700000000 ] - [ 0.0031492800000000, 0.0055191400000000, -0.0095952200000000 ] - [ -0.0005553200000000, 0.0012227400000000, -0.0039753100000000 ] - [ 0.0037590500000000, -0.0015207900000000, 0.0019587500000000 ] - [ 0.0096249800000000, 0.0093714000000000, -0.0022237200000000 ] - [ 0.0071882100000000, -0.0006790600000000, -0.0000561100000000 ] - [ 0.0070131200000000, -0.0029239100000000, 0.0112940200000000 ] - [ 0.0082637300000000, -0.0014848900000000, 0.0006308000000000 ] - [ -0.0078837200000000, -0.0025842500000000, -0.0040872300000000 ] - [ 0.0047050200000000, 0.0014188500000000, 0.0017256800000000 ] - [ -0.0131888600000000, -0.0131108200000000, -0.0072680300000000 ] - [ 0.0046191500000000, 0.0000953700000000, 0.0000120900000000 ] - [ -0.1180594100000000, -0.0141555300000000, 0.0128438500000000 ] - [ 0.0056978000000000, 0.0022235800000000, 0.0010904400000000 ] - [ 0.2243455600000000, -0.0158658500000000, -0.0381611800000000 ] - [ -0.0038501600000000, -0.0009585500000000, 0.0004461700000000 ] - [ 0.0046155000000000, 0.0004137400000000, 0.0017653100000000 ] - [ -0.0024595100000000, -0.0006702700000000, -0.0001259000000000 ] - [ 0.0120129400000000, -0.0022671900000000, -0.0092325800000000 ] - [ -0.0029520500000000, -0.0003637800000000, 0.0007587100000000 ] - [ 0.0040436900000000, -0.0105858500000000, 0.0041699000000000 ] - [ -0.0010865400000000, -0.0001953700000000, 0.0004538900000000 ] - [ 0.0036746700000000, 0.0016681600000000, 0.0033534300000000 ] - [ -0.0014814700000000, -0.0002226900000000, 0.0002611100000000 ] - [ 0.0042306700000000, 0.0006819500000000, 0.0005412400000000 ] - [ -0.0029106400000000, -0.0006191100000000, 0.0001880900000000 ] - [ 0.0038605000000000, -0.0055310800000000, 0.0051127600000000 ] - [ -0.0025171800000000, 0.0002146500000000, 0.0004764900000000 ] - [ 0.0036768200000000, 0.0009907700000000, -0.0019874500000000 ] - [ -0.0033988500000000, -0.0003209800000000, 0.0011955200000000 ] - [ -0.0036953900000000, 0.0006067600000000, 0.0012592400000000 ] - [ -0.0076427700000000, -0.0140773700000000, 0.0049749400000000 ] - [ -0.0022924100000000, -0.0004821100000000, 0.0004162900000000 ] - [ 0.0014988400000000, 0.0010275200000000, -0.0003479800000000 ] - [ -0.0024980100000000, 0.0008126900000000, 0.0000374400000000 ] - [ 0.0013911900000000, -0.0032211100000000, 0.0012346600000000 ] - [ -0.0011708900000000, 0.0011078300000000, -0.0001503800000000 ] - [ 0.0001411700000000, -0.0001783000000000, 0.0019976700000000 ] - [ -0.0011634200000000, -0.0000551100000000, 0.0004780800000000 ] - [ -0.0015482300000000, 0.0014084600000000, -0.0033175600000000 ] - [ -0.0048648800000000, -0.0006863000000000, 0.0023975100000000 ] - [ -0.0073110600000000, 0.0051334600000000, -0.0033694700000000 ] - [ -0.0041458000000000, 0.0014168100000000, -0.0013006000000000 ] - [ -0.0074441100000000, -0.0010154800000000, 0.0056696100000000 ] - [ -0.0013203000000000, -0.0008090700000000, 0.0005618500000000 ] - [ -0.0015759500000000, 0.0008510900000000, -0.0004901600000000 ] - [ -0.0025195500000000, 0.0030527700000000, -0.0007956900000000 ] - [ -0.0031604500000000, -0.0000216400000000, 0.0004387900000000 ] - [ -0.0017557900000000, -0.0017355300000000, 0.0026154900000000 ] - [ -0.0015531900000000, 0.0004546400000000, -0.0009791800000000 ] - [ -0.0025985600000000, -0.0000233000000000, -0.0027738300000000 ] - [ -0.0022165100000000, 0.0003671500000000, 0.0009236200000000 ] - [ -0.0011047200000000, -0.0021089700000000, -0.0027481800000000 ] - [ -0.0015553000000000, 0.0005932700000000, 0.0002324800000000 ] - [ -0.0005768600000000, -0.0034172800000000, 0.0018264900000000 ] - [ -0.0012261000000000, 0.0007384100000000, -0.0007015100000000 ] - [ 0.0005966000000000, 0.0011914300000000, 0.0013748100000000 ] - [ -0.0027098300000000, 0.0003154900000000, -0.0003259800000000 ] - [ -0.0215153200000000, -0.0018332000000000, -0.0074198800000000 ] - [ -0.0032350800000000, 0.0000444600000000, -0.0006119300000000 ] - [ 0.0029061900000000, 0.0000598600000000, 0.0013888300000000 ] - [ -0.0027862000000000, 0.0000249300000000, -0.0003927400000000 ] - [ -0.0064401700000000, 0.0009130400000000, -0.0149698100000000 ] - [ -0.0040554000000000, -0.0000681600000000, -0.0003641200000000 ] - [ 0.0030470500000000, 0.0014059400000000, 0.0023944100000000 ] - [ -0.0019749200000000, 0.0000108300000000, -0.0007580300000000 ] - [ -0.0067120500000000, -0.0182287200000000, -0.0003526000000000 ] - [ -0.0032144100000000, -0.0009637500000000, -0.0003755700000000 ] - [ -0.0019804200000000, 0.0092973200000000, 0.0181300800000000 ] - [ -0.0011528900000000, -0.0004308000000000, -0.0003500600000000 ] - [ 0.0026498400000000, 0.0024412000000000, 0.0024951300000000 ] - [ -0.0012755900000000, -0.0003456900000000, -0.0002685100000000 ] - [ 0.0061192000000000, 0.0000932000000000, 0.0009508700000000 ] - [ -0.0026619400000000, -0.0002596400000000, -0.0004296600000000 ] - [ -0.0044103200000000, 0.0240363900000000, 0.0043165100000000 ] - [ -0.0024507700000000, -0.0006308100000000, 0.0000536000000000 ] - [ 0.0057187200000000, -0.0001538300000000, 0.0003733500000000 ] - [ -0.0034059400000000, -0.0005428900000000, -0.0000609300000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003127600000000, 0.0011264600000000, 0.0004934200000000 ] - [ -0.0012746500000000, 0.0015925800000000, -0.0010111100000000 ] - [ 0.0005475600000000, 0.0006677300000000, -0.0002159100000000 ] - [ -0.0003634600000000, 0.0000474100000000, 0.0004801400000000 ] - [ -0.0003767600000000, -0.0018056800000000, -0.0021436900000000 ] - [ -0.0003225300000000, 0.0002092200000000, -0.0000592800000000 ] - [ 0.0012610500000000, -0.0043107300000000, 0.0003475600000000 ] - [ -0.0001605200000000, 0.0000508900000000, -0.0000089800000000 ] - [ 0.0025840600000000, 0.0044366800000000, -0.0001645300000000 ] - [ -0.0006382400000000, 0.0000948400000000, 0.0000833100000000 ] - [ -0.0020946100000000, -0.0019882500000000, -0.0015516200000000 ] - [ -0.0003142300000000, 0.0000068400000000, -0.0000711300000000 ] - [ -0.0009669100000000, 0.0000663900000000, -0.0002119100000000 ] - [ -0.0199023600000000, 0.0250659000000000, 0.0148797300000000 ] - [ -0.0000070600000000, -0.0008132400000000, -0.0006140200000000 ] - [ -0.0008607500000000, -0.0012440100000000, 0.0005624200000000 ] - [ 0.0000843900000000, -0.0006391600000000, 0.0010021700000000 ] - [ -0.0003798800000000, 0.0002439700000000, 0.0001722300000000 ] - [ 0.0032151700000000, -0.0009531100000000, 0.0014021600000000 ] - [ -0.0013725900000000, -0.0005614700000000, -0.0003284200000000 ] - [ 0.0005160100000000, -0.0013080400000000, 0.0009294300000000 ] - [ -0.0011384700000000, -0.0005339000000000, 0.0004316600000000 ] - [ 0.0020491800000000, -0.0142545500000000, 0.0133906300000000 ] - [ -0.0010404500000000, -0.0002216600000000, -0.0001473300000000 ] - [ 0.0105138500000000, 0.0403546000000000, 0.0075053400000000 ] - [ -0.0014771300000000, -0.0001690100000000, 0.0005162200000000 ] - [ -0.0011281900000000, -0.0009935100000000, 0.0019611400000000 ] - [ 0.0030980600000000, -0.0020250700000000, 0.0042276300000000 ] - [ -0.0012347100000000, 0.0001494500000000, -0.0003601300000000 ] - [ 0.0003895300000000, 0.0035857900000000, 0.0010702200000000 ] - [ -0.0010058500000000, 0.0012803000000000, 0.0002519700000000 ] - [ -0.0075129300000000, 0.0030244500000000, 0.0111517000000000 ] - [ 0.0025535600000000, -0.0035618400000000, 0.0019472000000000 ] - [ -0.0012502300000000, -0.0009574400000000, -0.0000987700000000 ] - [ -0.0073802900000000, -0.0055746700000000, 0.0013613100000000 ] - [ 0.0026766600000000, -0.0005015500000000, -0.0009748800000000 ] - [ -0.0030646200000000, 0.0023563300000000, -0.0051384400000000 ] - [ -0.0006479400000000, 0.0027431400000000, -0.0003611000000000 ] - [ 0.0026111200000000, -0.0022979500000000, 0.0011425400000000 ] - [ -0.0015872600000000, -0.0005555000000000, -0.0002425700000000 ] - [ 0.0120373100000000, 0.0078060400000000, -0.0069962500000000 ] - [ -0.0014890500000000, 0.0001729200000000, 0.0002437600000000 ] - [ -0.0104560900000000, 0.0188874000000000, 0.0035621600000000 ] - [ -0.0012801400000000, 0.0001404800000000, -0.0003906200000000 ] - [ 0.0160204200000000, -0.1420744100000000, -0.0283554200000000 ] - [ 0.0009681900000000, -0.0001118600000000, -0.0000580800000000 ] - [ -0.0011115600000000, 0.0032402600000000, -0.0014837600000000 ] - [ 0.0006958100000000, 0.0002945400000000, 0.0000033900000000 ] - [ -0.0074455800000000, 0.0035831200000000, 0.0161837000000000 ] - [ 0.0006504300000000, -0.0000731500000000, -0.0002654200000000 ] - [ -0.0054320400000000, 0.0242635500000000, -0.0126182200000000 ] - [ 0.0001764300000000, 0.0000890500000000, 0.0000135400000000 ] - [ -0.0006027300000000, 0.0128237800000000, 0.0043996700000000 ] - [ 0.0004621300000000, 0.0003919100000000, 0.0000032900000000 ] - [ -0.0009520300000000, -0.0013475500000000, 0.0003061700000000 ] - [ 0.0008186700000000, 0.0001461800000000, -0.0000730800000000 ] - [ 0.0025758600000000, 0.0084239600000000, -0.0116892400000000 ] - [ 0.0006450700000000, -0.0000301200000000, -0.0000266600000000 ] - [ -0.0013209400000000, 0.0023390200000000, -0.0038996200000000 ] - [ 0.0008945900000000, 0.0001875800000000, -0.0005317200000000 ] - [ 0.0007579100000000, -0.0002621800000000, -0.0002943600000000 ] - [ 0.0165191300000000, 0.0045899400000000, -0.0073677600000000 ] - [ 0.0004620700000000, 0.0003199900000000, -0.0002228600000000 ] - [ -0.0007144600000000, -0.0001813200000000, -0.0008199800000000 ] - [ 0.0004169800000000, -0.0001942000000000, 0.0001392000000000 ] - [ 0.0012295100000000, 0.0027742000000000, -0.0014008000000000 ] - [ 0.0000480800000000, -0.0004049600000000, 0.0001892000000000 ] - [ 0.0009290800000000, -0.0023933100000000, -0.0020544000000000 ] - [ 0.0003453100000000, -0.0000828500000000, -0.0002350100000000 ] - [ -0.0004447400000000, -0.0018539100000000, -0.0015434800000000 ] - [ 0.0027638600000000, 0.0001948400000000, -0.0015106800000000 ] - [ -0.0059518000000000, 0.0033773500000000, -0.0021203600000000 ] - [ 0.0015720100000000, -0.0008444400000000, 0.0007568600000000 ] - [ -0.0015032300000000, -0.0040998500000000, 0.0008693500000000 ] - [ -0.0008114900000000, 0.0009464800000000, -0.0001793600000000 ] - [ 0.0008563400000000, 0.0019125800000000, -0.0001035900000000 ] - [ -0.0000748600000000, -0.0019727700000000, -0.0000224100000000 ] - [ 0.0033559800000000, -0.0017664100000000, -0.0007915800000000 ] - [ 0.0006392600000000, 0.0013211200000000, -0.0017670800000000 ] - [ -0.0004323000000000, 0.0002690700000000, -0.0004603500000000 ] - [ 0.0006467800000000, -0.0002436300000000, 0.0015011300000000 ] - [ 0.0001008800000000, -0.0005348100000000, -0.0001991700000000 ] - [ 0.0003347100000000, 0.0009058400000000, 0.0014770500000000 ] - [ -0.0000203800000000, -0.0003660800000000, 0.0006746500000000 ] - [ -0.0004548700000000, 0.0036568200000000, -0.0011098800000000 ] - [ 0.0003980900000000, 0.0012730400000000, 0.0001992300000000 ] - [ -0.0029573500000000, 0.0005886100000000, 0.0005506700000000 ] - [ 0.0010813700000000, 0.0000407800000000, 0.0003446200000000 ] - [ 0.0085725400000000, 0.0017585000000000, 0.0033659300000000 ] - [ 0.0004576100000000, -0.0008932700000000, 0.0004472700000000 ] - [ -0.0016877900000000, 0.0006786700000000, -0.0001195200000000 ] - [ 0.0010716900000000, 0.0003302700000000, -0.0001171200000000 ] - [ 0.0037140500000000, -0.0041592300000000, 0.0051217000000000 ] - [ 0.0008021500000000, -0.0002353800000000, 0.0001564900000000 ] - [ -0.0022124100000000, 0.0015506500000000, 0.0002589200000000 ] - [ 0.0006604200000000, 0.0001127500000000, 0.0000261200000000 ] - [ 0.0130240000000000, 0.0092461600000000, -0.0010532200000000 ] - [ -0.0000346300000000, -0.0003829400000000, -0.0000303800000000 ] - [ 0.0012469800000000, -0.0089869600000000, -0.0074454100000000 ] - [ 0.0002009000000000, -0.0001434000000000, -0.0000416500000000 ] - [ -0.0016086400000000, -0.0001441200000000, 0.0015000600000000 ] - [ 0.0005435400000000, 0.0000759900000000, -0.0000366000000000 ] - [ -0.0028716400000000, 0.0013156000000000, -0.0016669800000000 ] - [ 0.0008593100000000, 0.0001460200000000, 0.0000703700000000 ] - [ -0.0229489700000000, 0.0098222400000000, 0.0053598700000000 ] - [ 0.0006982500000000, -0.0001339800000000, 0.0001298800000000 ] - [ -0.0004877200000000, 0.0017885800000000, -0.0002183000000000 ] - [ 0.0007689600000000, 0.0002985700000000, -0.0001402200000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000286200000000, -0.0007896900000000, -0.0004901300000000 ] - [ 0.0009924300000000, -0.0012554800000000, 0.0009912600000000 ] - [ -0.0003475400000000, -0.0003980900000000, 0.0004367600000000 ] - [ 0.0005515400000000, 0.0002107200000000, -0.0002504200000000 ] - [ 0.0002035400000000, 0.0020390900000000, 0.0019127000000000 ] - [ 0.0001219600000000, 0.0000510600000000, -0.0001649900000000 ] - [ -0.0009517400000000, 0.0046077300000000, -0.0003554100000000 ] - [ 0.0004289600000000, 0.0002675200000000, 0.0000185400000000 ] - [ -0.0023735500000000, -0.0043406800000000, 0.0000812900000000 ] - [ 0.0008042700000000, -0.0000712200000000, -0.0000842400000000 ] - [ 0.0018848600000000, 0.0019173900000000, 0.0016258800000000 ] - [ 0.0001246400000000, -0.0000560500000000, 0.0001691900000000 ] - [ 0.0011267300000000, -0.0001194400000000, 0.0001145000000000 ] - [ 0.0213001600000000, -0.0258173200000000, -0.0158394200000000 ] - [ -0.0001729300000000, 0.0008244000000000, 0.0006051300000000 ] - [ 0.0006625200000000, 0.0012550400000000, -0.0005523900000000 ] - [ -0.0001084400000000, 0.0006385400000000, -0.0008872600000000 ] - [ 0.0003418300000000, -0.0002105000000000, -0.0000752900000000 ] - [ -0.0031519900000000, 0.0009982500000000, -0.0014920600000000 ] - [ 0.0013775000000000, 0.0005883600000000, 0.0002302000000000 ] - [ -0.0002218000000000, 0.0013461200000000, -0.0009358200000000 ] - [ 0.0013806300000000, 0.0005970700000000, -0.0004498400000000 ] - [ -0.0019920800000000, 0.0140117300000000, -0.0133141700000000 ] - [ 0.0010463800000000, 0.0000327600000000, 0.0000409700000000 ] - [ -0.0102351400000000, -0.0362951200000000, -0.0069736900000000 ] - [ 0.0009358000000000, 0.0000238500000000, -0.0005869500000000 ] - [ 0.0016176300000000, 0.0008298200000000, -0.0018634900000000 ] - [ -0.0025851400000000, 0.0018513500000000, -0.0041488400000000 ] - [ 0.0011711300000000, -0.0003433400000000, 0.0004499200000000 ] - [ -0.0004148500000000, -0.0037440700000000, -0.0009646400000000 ] - [ 0.0007056600000000, -0.0011660600000000, -0.0002207400000000 ] - [ 0.0071995300000000, -0.0028790300000000, -0.0109871500000000 ] - [ -0.0024835500000000, 0.0034403200000000, -0.0017108700000000 ] - [ 0.0012579600000000, 0.0008657700000000, 0.0003024200000000 ] - [ 0.0074773700000000, 0.0054402600000000, -0.0015946700000000 ] - [ -0.0025933500000000, 0.0004833900000000, 0.0007146600000000 ] - [ 0.0032463000000000, -0.0022795900000000, 0.0048594400000000 ] - [ 0.0009265200000000, -0.0026618900000000, 0.0001958700000000 ] - [ -0.0028327000000000, 0.0023463600000000, -0.0009479400000000 ] - [ 0.0012798300000000, 0.0006020800000000, 0.0004017500000000 ] - [ -0.0119494100000000, -0.0076263000000000, 0.0072300800000000 ] - [ 0.0013588200000000, -0.0001755500000000, 0.0000181600000000 ] - [ 0.0104469300000000, -0.0188014500000000, -0.0037815100000000 ] - [ 0.0012147700000000, -0.0002438500000000, 0.0001740700000000 ] - [ -0.0179852900000000, 0.1376560800000000, 0.0286489800000000 ] - [ -0.0007845800000000, -0.0000445900000000, 0.0001406300000000 ] - [ 0.0012042400000000, -0.0031738700000000, 0.0013762700000000 ] - [ -0.0005625800000000, -0.0002465400000000, -0.0000857300000000 ] - [ 0.0071668200000000, -0.0037785600000000, -0.0158834400000000 ] - [ -0.0007702100000000, -0.0001463400000000, 0.0002282500000000 ] - [ 0.0052135600000000, -0.0238837400000000, 0.0125938500000000 ] - [ -0.0002926800000000, -0.0001090800000000, 0.0001483900000000 ] - [ 0.0007020500000000, -0.0124464900000000, -0.0044211500000000 ] - [ -0.0003495200000000, -0.0000652800000000, 0.0000149300000000 ] - [ 0.0010535900000000, 0.0013466600000000, -0.0003980100000000 ] - [ -0.0006775700000000, -0.0001516700000000, -0.0000316000000000 ] - [ -0.0024375800000000, -0.0082838300000000, 0.0116619300000000 ] - [ -0.0005032700000000, 0.0001549800000000, 0.0001678500000000 ] - [ 0.0012928100000000, -0.0023078600000000, 0.0037587300000000 ] - [ -0.0008968100000000, -0.0001680000000000, 0.0003799900000000 ] - [ -0.0007170200000000, 0.0002722400000000, 0.0004328900000000 ] - [ -0.0161756800000000, -0.0045791200000000, 0.0073924300000000 ] - [ -0.0005772300000000, -0.0001838900000000, 0.0000796800000000 ] - [ 0.0005856800000000, 0.0003138100000000, 0.0006727000000000 ] - [ -0.0005277500000000, 0.0001718400000000, -0.0000318800000000 ] - [ -0.0013331000000000, -0.0027732000000000, 0.0014826100000000 ] - [ -0.0001473000000000, 0.0007194600000000, -0.0002017300000000 ] - [ -0.0010215500000000, 0.0026859500000000, 0.0020138600000000 ] - [ -0.0002147000000000, 0.0000682700000000, 0.0000705500000000 ] - [ 0.0005565800000000, 0.0018353500000000, 0.0013595900000000 ] - [ -0.0026162300000000, -0.0004007500000000, 0.0015296600000000 ] - [ 0.0061133300000000, -0.0035849500000000, 0.0021480700000000 ] - [ -0.0016441700000000, 0.0008759100000000, -0.0006542100000000 ] - [ 0.0013344000000000, 0.0041075800000000, -0.0007547300000000 ] - [ 0.0006336000000000, -0.0010927900000000, 0.0000919000000000 ] - [ -0.0010042500000000, -0.0020574500000000, 0.0000193900000000 ] - [ 0.0001511800000000, 0.0019790900000000, 0.0002161700000000 ] - [ -0.0032506500000000, 0.0017853700000000, 0.0009716300000000 ] - [ -0.0005929000000000, -0.0014726600000000, 0.0015733600000000 ] - [ 0.0004789600000000, -0.0004394600000000, 0.0002810000000000 ] - [ -0.0007569800000000, 0.0001656500000000, -0.0013894400000000 ] - [ -0.0002343100000000, 0.0004525700000000, 0.0002803300000000 ] - [ -0.0005145800000000, -0.0009040000000000, -0.0014228500000000 ] - [ -0.0001600700000000, 0.0003349100000000, -0.0006255100000000 ] - [ 0.0005238700000000, -0.0035966100000000, 0.0011177600000000 ] - [ -0.0003091800000000, -0.0012397800000000, -0.0001739300000000 ] - [ 0.0028192300000000, -0.0008853900000000, -0.0004206300000000 ] - [ -0.0011640700000000, -0.0003304300000000, -0.0002133700000000 ] - [ -0.0085568500000000, -0.0017790900000000, -0.0032302700000000 ] - [ -0.0006669700000000, 0.0008659200000000, -0.0003802500000000 ] - [ 0.0017643000000000, -0.0005283400000000, 0.0002565800000000 ] - [ -0.0009446000000000, -0.0001831300000000, 0.0002582200000000 ] - [ -0.0036667200000000, 0.0043189700000000, -0.0051088900000000 ] - [ -0.0008994900000000, 0.0003783400000000, -0.0002928900000000 ] - [ 0.0023995900000000, -0.0015726100000000, -0.0003287800000000 ] - [ -0.0004230000000000, -0.0001360400000000, -0.0000897000000000 ] - [ -0.0130754900000000, -0.0095262500000000, 0.0009466900000000 ] - [ 0.0001508900000000, 0.0001059700000000, -0.0000951100000000 ] - [ -0.0012573400000000, 0.0088739800000000, 0.0072493000000000 ] - [ -0.0002740100000000, 0.0001626800000000, 0.0000163400000000 ] - [ 0.0017674500000000, 0.0000893100000000, -0.0015341500000000 ] - [ -0.0003485000000000, -0.0001099600000000, -0.0000084500000000 ] - [ 0.0029540700000000, -0.0013904300000000, 0.0015615100000000 ] - [ -0.0007068700000000, -0.0002220800000000, -0.0001463000000000 ] - [ 0.0225297700000000, -0.0099087700000000, -0.0051384100000000 ] - [ -0.0007236600000000, -0.0000419600000000, 0.0000487100000000 ] - [ 0.0003890000000000, -0.0017215600000000, 0.0000223300000000 ] - [ -0.0008202800000000, -0.0002486100000000, -0.0000525400000000 ]- atom: 45 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ 0.0003455300000000, 0.0000025600000000, -0.0000808600000000 ] - [ -0.0006495600000000, 0.0001544400000000, 0.0001133700000000 ] - [ 0.0002068700000000, 0.0002098600000000, -0.0002084700000000 ] - [ 0.0001901000000000, 0.0002248000000000, -0.0000538400000000 ] - [ -0.0011569500000000, -0.0008447800000000, -0.0000308700000000 ] - [ 0.0000476700000000, 0.0000330400000000, -0.0001622800000000 ] - [ -0.0001460300000000, 0.0005140800000000, -0.0001237600000000 ] - [ 0.0002843300000000, 0.0001664800000000, 0.0000499400000000 ] - [ -0.0028550600000000, 0.0028757800000000, -0.0068742200000000 ] - [ 0.0003880500000000, 0.0000859700000000, -0.0001388600000000 ] - [ -0.0009025000000000, -0.0004101300000000, -0.0012053700000000 ] - [ 0.0002451700000000, 0.0000731200000000, -0.0000643200000000 ] - [ 0.0004593200000000, -0.0002025400000000, 0.0002264500000000 ] - [ -0.0185130800000000, 0.0171534800000000, 0.0195267700000000 ] - [ 0.0000288900000000, 0.0000072200000000, -0.0000880000000000 ] - [ 0.0002477700000000, -0.0000704600000000, -0.0004012000000000 ] - [ 0.0003579500000000, 0.0007218800000000, -0.0012719400000000 ] - [ 0.0001271000000000, -0.0000917900000000, -0.0000809000000000 ] - [ -0.0000914700000000, 0.0000876100000000, 0.0010484200000000 ] - [ 0.0002816100000000, 0.0001537600000000, 0.0001280300000000 ] - [ -0.0005494500000000, -0.0009476200000000, -0.0050715700000000 ] - [ 0.0007116900000000, 0.0000683400000000, -0.0004074400000000 ] - [ -0.0018326500000000, 0.0004652000000000, 0.0037168300000000 ] - [ 0.0004207400000000, -0.0000331200000000, -0.0000198200000000 ] - [ -0.0016547800000000, 0.0025054800000000, 0.0190880400000000 ] - [ 0.0003214500000000, 0.0001057000000000, -0.0000822900000000 ] - [ 0.0011642900000000, -0.0003217200000000, -0.0006867200000000 ] - [ -0.0016909000000000, 0.0009146600000000, 0.0002047200000000 ] - [ 0.0001943000000000, -0.0002062700000000, -0.0006399500000000 ] - [ 0.0002733600000000, -0.0006030500000000, -0.0044301600000000 ] - [ 0.0000679600000000, 0.0003173600000000, 0.0000763800000000 ] - [ 0.0038131900000000, 0.0021984900000000, 0.0018620100000000 ] - [ 0.0008187300000000, -0.0008704300000000, -0.0004295200000000 ] - [ -0.0001690600000000, -0.0001086600000000, 0.0002011700000000 ] - [ 0.0013984400000000, 0.0012889500000000, 0.0005543900000000 ] - [ 0.0002977100000000, -0.0003617600000000, 0.0004966700000000 ] - [ -0.0055523300000000, -0.0002434300000000, 0.0023095600000000 ] - [ 0.0032111600000000, -0.0004232400000000, 0.0003660500000000 ] - [ -0.0014684000000000, -0.0009340600000000, -0.0020978300000000 ] - [ 0.0003160700000000, 0.0001713900000000, 0.0000812200000000 ] - [ 0.0027328600000000, -0.0042940100000000, -0.0018839000000000 ] - [ 0.0002421700000000, 0.0001190200000000, 0.0001156700000000 ] - [ -0.0090407200000000, -0.0004832500000000, 0.0167588200000000 ] - [ 0.0005736700000000, 0.0001173600000000, 0.0003078300000000 ] - [ 0.0391653600000000, -0.0283415000000000, -0.0605989500000000 ] - [ -0.0003427300000000, -0.0001839700000000, -0.0000086700000000 ] - [ 0.0008036100000000, 0.0003748700000000, 0.0013417500000000 ] - [ -0.0002075400000000, -0.0000403900000000, 0.0000136100000000 ] - [ -0.0010863600000000, 0.0056420100000000, 0.0026354200000000 ] - [ -0.0003584800000000, -0.0001628700000000, 0.0000069500000000 ] - [ -0.0007925400000000, 0.0054996200000000, -0.0040038400000000 ] - [ -0.0001726500000000, -0.0000590300000000, 0.0000523200000000 ] - [ 0.0001475500000000, 0.0058192300000000, 0.0038287300000000 ] - [ -0.0001028000000000, 0.0001469600000000, 0.0000613100000000 ] - [ -0.0001879200000000, 0.0007045600000000, 0.0023923700000000 ] - [ -0.0001532400000000, 0.0000749700000000, 0.0000881900000000 ] - [ -0.0028293500000000, -0.0128593100000000, 0.0047993100000000 ] - [ -0.0000889800000000, -0.0000419200000000, 0.0000550400000000 ] - [ 0.0009109100000000, -0.0009838900000000, 0.0025643600000000 ] - [ -0.0005565700000000, 0.0000070200000000, 0.0002214600000000 ] - [ -0.0004414100000000, 0.0000891300000000, -0.0000771500000000 ] - [ 0.0026013600000000, 0.0003121800000000, -0.0045555700000000 ] - [ -0.0003019800000000, 0.0001422900000000, 0.0001667900000000 ] - [ 0.0000061800000000, 0.0001592900000000, 0.0007149800000000 ] - [ -0.0002731400000000, -0.0000911600000000, 0.0000881400000000 ] - [ -0.0007659100000000, -0.0008436600000000, -0.0000666400000000 ] - [ -0.0001859500000000, 0.0001302300000000, 0.0001789600000000 ] - [ -0.0000370800000000, 0.0000392200000000, 0.0007911500000000 ] - [ -0.0001754000000000, 0.0001138100000000, 0.0003760700000000 ] - [ 0.0011154400000000, -0.0002013200000000, 0.0024258000000000 ] - [ -0.0008224000000000, -0.0002505500000000, 0.0002850000000000 ] - [ 0.0001319000000000, 0.0000296200000000, -0.0016951200000000 ] - [ 0.0010763300000000, -0.0001310200000000, 0.0000596600000000 ] - [ -0.0054091300000000, -0.0012450600000000, 0.0030564800000000 ] - [ -0.0006945900000000, 0.0000534400000000, 0.0001487100000000 ] - [ 0.0003546000000000, -0.0000141800000000, 0.0000219500000000 ] - [ 0.0001255700000000, -0.0005247300000000, -0.0002395800000000 ] - [ -0.0009096800000000, -0.0002999600000000, -0.0000760300000000 ] - [ -0.0003739000000000, -0.0000845300000000, 0.0000452700000000 ] - [ 0.0001286700000000, -0.0000459800000000, -0.0003021900000000 ] - [ 0.0001153900000000, -0.0000563500000000, 0.0008017000000000 ] - [ -0.0004395400000000, 0.0001184800000000, 0.0009174400000000 ] - [ 0.0000240000000000, 0.0005356100000000, -0.0011065000000000 ] - [ -0.0004091600000000, 0.0003187400000000, -0.0002717000000000 ] - [ -0.0002018600000000, -0.0001237200000000, -0.0001001100000000 ] - [ 0.0000165400000000, 0.0001389500000000, -0.0002191600000000 ] - [ -0.0013358500000000, 0.0009576500000000, 0.0002433200000000 ] - [ -0.0000848800000000, -0.0001416300000000, 0.0000845400000000 ] - [ -0.0059667700000000, -0.0000648600000000, -0.0018350300000000 ] - [ -0.0004151400000000, 0.0000968600000000, -0.0004586400000000 ] - [ 0.0002675600000000, 0.0002044700000000, 0.0006479700000000 ] - [ -0.0001969800000000, 0.0000670600000000, 0.0002122700000000 ] - [ 0.0160949100000000, 0.0004925700000000, 0.0052447300000000 ] - [ -0.0010454900000000, 0.0000483000000000, -0.0002380800000000 ] - [ -0.0003214000000000, 0.0011975400000000, 0.0010318800000000 ] - [ 0.0000275600000000, -0.0000349700000000, -0.0000238000000000 ] - [ -0.0012443500000000, -0.0026462500000000, -0.0021491000000000 ] - [ -0.0001477700000000, -0.0001027900000000, -0.0001723000000000 ] - [ -0.0061327300000000, 0.0028403200000000, 0.0039953200000000 ] - [ -0.0001311200000000, -0.0000865600000000, -0.0000983000000000 ] - [ 0.0003770500000000, 0.0002761700000000, 0.0019379600000000 ] - [ -0.0000416600000000, -0.0001034800000000, 0.0000450700000000 ] - [ 0.0012654400000000, 0.0000219100000000, 0.0003252500000000 ] - [ -0.0002255800000000, -0.0000914100000000, -0.0000227600000000 ] - [ -0.0027412300000000, 0.0037243600000000, -0.0049343700000000 ] - [ -0.0002653400000000, -0.0001760000000000, -0.0000057700000000 ] - [ 0.0007648300000000, 0.0003546300000000, 0.0006943800000000 ] - [ -0.0003994000000000, 0.0000153100000000, -0.0000404800000000 ]- atom: 45 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ -0.0006244200000000, 0.0003201500000000, 0.0000784000000000 ] - [ 0.0003736100000000, 0.0001597800000000, -0.0001174100000000 ] - [ -0.0000106600000000, 0.0000490600000000, 0.0004334400000000 ] - [ 0.0000028300000000, 0.0000328000000000, 0.0002802900000000 ] - [ 0.0009716300000000, 0.0011075900000000, -0.0002008200000000 ] - [ -0.0002445200000000, 0.0002268300000000, -0.0000635400000000 ] - [ 0.0004274400000000, -0.0001937800000000, 0.0001413400000000 ] - [ -0.0000110200000000, 0.0001522000000000, -0.0000402100000000 ] - [ 0.0030883100000000, -0.0028978500000000, 0.0069395400000000 ] - [ -0.0002109400000000, -0.0000649900000000, 0.0001371600000000 ] - [ 0.0007204800000000, 0.0003573500000000, 0.0013075500000000 ] - [ -0.0004301100000000, -0.0001254100000000, 0.0001624300000000 ] - [ -0.0002846700000000, 0.0001543300000000, -0.0003276100000000 ] - [ 0.0192426400000000, -0.0177179200000000, -0.0197175900000000 ] - [ -0.0002105900000000, 0.0000142000000000, 0.0000865600000000 ] - [ -0.0004334700000000, 0.0000966800000000, 0.0004027000000000 ] - [ -0.0003803700000000, -0.0006886300000000, 0.0013741700000000 ] - [ -0.0001599900000000, 0.0001266800000000, 0.0001799200000000 ] - [ 0.0001181700000000, -0.0000500600000000, -0.0011601500000000 ] - [ -0.0002566700000000, -0.0001216300000000, -0.0002262600000000 ] - [ 0.0008315700000000, 0.0010524200000000, 0.0050636600000000 ] - [ -0.0004507500000000, 0.0000082600000000, 0.0003871500000000 ] - [ 0.0018732900000000, -0.0006516900000000, -0.0038667700000000 ] - [ -0.0003964900000000, -0.0001571200000000, -0.0000860100000000 ] - [ 0.0011146800000000, -0.0029191000000000, -0.0193310000000000 ] - [ -0.0008398400000000, -0.0002502900000000, 0.0000010800000000 ] - [ -0.0006637500000000, 0.0001753900000000, 0.0007788300000000 ] - [ 0.0021899000000000, -0.0010429100000000, -0.0001122800000000 ] - [ -0.0002274400000000, 0.0000156500000000, 0.0007472000000000 ] - [ -0.0003242000000000, 0.0004058100000000, 0.0045470300000000 ] - [ -0.0003441800000000, -0.0002326400000000, -0.0000512200000000 ] - [ -0.0041038000000000, -0.0021307800000000, -0.0018860600000000 ] - [ -0.0007798900000000, 0.0007737900000000, 0.0006555200000000 ] - [ 0.0002024900000000, 0.0000201100000000, 0.0000131800000000 ] - [ -0.0013185200000000, -0.0013319100000000, -0.0008096900000000 ] - [ -0.0001992300000000, 0.0003570000000000, -0.0007570500000000 ] - [ 0.0058523000000000, 0.0003055900000000, -0.0025304000000000 ] - [ -0.0029554000000000, 0.0004800100000000, -0.0005435900000000 ] - [ 0.0012059000000000, 0.0009979500000000, 0.0022707500000000 ] - [ -0.0006004800000000, -0.0001171100000000, 0.0000858600000000 ] - [ -0.0028182200000000, 0.0042812100000000, 0.0021969500000000 ] - [ -0.0003490600000000, -0.0001258800000000, 0.0001451200000000 ] - [ 0.0096159100000000, 0.0004496400000000, -0.0172913300000000 ] - [ -0.0006176600000000, -0.0002145000000000, -0.0005238700000000 ] - [ -0.0400823100000000, 0.0288644500000000, 0.0612100100000000 ] - [ 0.0005113100000000, 0.0000254500000000, 0.0000953000000000 ] - [ -0.0006906300000000, -0.0003383300000000, -0.0014236200000000 ] - [ 0.0003303100000000, 0.0000851900000000, -0.0000968500000000 ] - [ 0.0009292900000000, -0.0057582400000000, -0.0026310300000000 ] - [ 0.0002266300000000, -0.0000573900000000, -0.0000394200000000 ] - [ 0.0006821200000000, -0.0055793300000000, 0.0042317700000000 ] - [ 0.0000538100000000, 0.0000399600000000, 0.0001107900000000 ] - [ -0.0000404300000000, -0.0055509900000000, -0.0038261600000000 ] - [ 0.0002098000000000, 0.0001761800000000, -0.0000433000000000 ] - [ 0.0003139000000000, -0.0007288000000000, -0.0025239300000000 ] - [ 0.0002789000000000, -0.0000895900000000, -0.0001951800000000 ] - [ 0.0029941300000000, 0.0131685200000000, -0.0047020800000000 ] - [ 0.0002202600000000, 0.0001716800000000, 0.0000892600000000 ] - [ -0.0009291000000000, 0.0009874500000000, -0.0027099100000000 ] - [ 0.0005464400000000, 0.0000110500000000, -0.0003722400000000 ] - [ 0.0004677800000000, -0.0000724700000000, 0.0002229300000000 ] - [ -0.0026327500000000, -0.0003362400000000, 0.0047230100000000 ] - [ 0.0001775100000000, -0.0000132300000000, -0.0003136200000000 ] - [ -0.0001303000000000, -0.0000351100000000, -0.0008610500000000 ] - [ 0.0001533300000000, 0.0000734400000000, 0.0000196000000000 ] - [ 0.0006482600000000, 0.0008303500000000, 0.0001781700000000 ] - [ 0.0000822500000000, 0.0001941200000000, -0.0001946100000000 ] - [ -0.0000658100000000, 0.0002939900000000, -0.0008046000000000 ] - [ 0.0002978600000000, -0.0001366700000000, -0.0005454800000000 ] - [ -0.0009795900000000, 0.0001771500000000, -0.0025870600000000 ] - [ 0.0009714600000000, 0.0000322600000000, -0.0002611300000000 ] - [ 0.0000047000000000, -0.0002482000000000, 0.0017166300000000 ] - [ -0.0012000200000000, 0.0001767000000000, 0.0000304400000000 ] - [ 0.0053497600000000, 0.0012988600000000, -0.0029852900000000 ] - [ 0.0005257400000000, -0.0002091200000000, -0.0002367700000000 ] - [ -0.0005197600000000, -0.0001506400000000, -0.0001100400000000 ] - [ -0.0000589300000000, 0.0005689600000000, 0.0004368700000000 ] - [ 0.0009784500000000, 0.0003485300000000, 0.0002736300000000 ] - [ 0.0004144100000000, -0.0000865600000000, -0.0002356700000000 ] - [ -0.0000848200000000, -0.0001302300000000, 0.0001186600000000 ] - [ -0.0002501200000000, -0.0000227900000000, -0.0007170900000000 ] - [ 0.0003160700000000, -0.0001985100000000, -0.0008369400000000 ] - [ -0.0002115000000000, -0.0005691800000000, 0.0011681400000000 ] - [ 0.0002243500000000, -0.0003543200000000, 0.0003242500000000 ] - [ 0.0002829500000000, 0.0001554500000000, 0.0001137100000000 ] - [ 0.0000627900000000, -0.0001162900000000, 0.0002395800000000 ] - [ 0.0012267000000000, -0.0012430200000000, -0.0001246400000000 ] - [ -0.0000153200000000, -0.0001462400000000, 0.0000400000000000 ] - [ 0.0058462500000000, 0.0000510900000000, 0.0019691700000000 ] - [ 0.0001968800000000, -0.0001208300000000, 0.0005279200000000 ] - [ -0.0001685200000000, -0.0000586800000000, -0.0005093400000000 ] - [ 0.0003084800000000, 0.0000786800000000, -0.0000712600000000 ] - [ -0.0164154600000000, -0.0003633000000000, -0.0054180400000000 ] - [ 0.0009450000000000, 0.0000986800000000, 0.0001021400000000 ] - [ 0.0005399600000000, -0.0012187800000000, -0.0011067200000000 ] - [ 0.0001999900000000, 0.0000122600000000, -0.0000428300000000 ] - [ 0.0013735400000000, 0.0024023000000000, 0.0020192500000000 ] - [ 0.0002525200000000, -0.0001781700000000, 0.0000471900000000 ] - [ 0.0059351900000000, -0.0028036700000000, -0.0039840100000000 ] - [ 0.0000556100000000, 0.0001077800000000, 0.0000724400000000 ] - [ -0.0001924000000000, -0.0003144400000000, -0.0019945800000000 ] - [ 0.0002312200000000, 0.0000693100000000, -0.0000927800000000 ] - [ -0.0011369800000000, -0.0001012900000000, -0.0003982000000000 ] - [ 0.0003655300000000, 0.0000128400000000, -0.0000552500000000 ] - [ 0.0027684200000000, -0.0039848700000000, 0.0050542300000000 ] - [ 0.0002287400000000, -0.0000001400000000, 0.0001850300000000 ] - [ -0.0008460000000000, -0.0003138000000000, -0.0008889200000000 ] - [ 0.0003373600000000, 0.0000305000000000, -0.0001534000000000 ]- atom: 47 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ -0.0007492200000000, -0.0000392000000000, -0.0003682700000000 ] - [ -0.0004793400000000, 0.0000536600000000, 0.0002853300000000 ] - [ -0.0009600100000000, -0.0015584600000000, 0.0006427000000000 ] - [ -0.0009872400000000, -0.0000589000000000, 0.0003030200000000 ] - [ 0.0013985000000000, 0.0014543600000000, 0.0008633000000000 ] - [ -0.0009294900000000, 0.0004059300000000, 0.0001788200000000 ] - [ 0.0030637000000000, 0.0008332600000000, -0.0003671800000000 ] - [ -0.0009274900000000, 0.0000950900000000, -0.0001263800000000 ] - [ 0.0055628000000000, -0.0012499100000000, 0.0010747800000000 ] - [ -0.0018154200000000, -0.0000078900000000, 0.0002129600000000 ] - [ 0.0247534600000000, -0.0166628700000000, -0.0163680100000000 ] - [ -0.0026803400000000, -0.0006642600000000, 0.0000602600000000 ] - [ -0.0015699500000000, 0.0003386300000000, 0.0000379300000000 ] - [ 0.0015251800000000, -0.0008450200000000, -0.0008273900000000 ] - [ -0.0036228300000000, 0.0021913400000000, 0.0025566100000000 ] - [ -0.0051091400000000, -0.0013518500000000, -0.0015828200000000 ] - [ -0.0001974200000000, 0.0014237400000000, -0.0013114300000000 ] - [ -0.0019159200000000, 0.0001981900000000, -0.0000133800000000 ] - [ -0.0000731200000000, -0.0023870000000000, 0.0016583500000000 ] - [ -0.0018065900000000, 0.0000043200000000, -0.0000646900000000 ] - [ 0.0268607700000000, -0.0125698700000000, -0.0010864300000000 ] - [ -0.0044159900000000, -0.0012071900000000, 0.0013824800000000 ] - [ 0.0264794300000000, 0.0039325500000000, -0.0101957100000000 ] - [ -0.0037930600000000, 0.0001205300000000, -0.0000074600000000 ] - [ 0.0074553300000000, 0.0026829600000000, -0.0030225000000000 ] - [ -0.0039950600000000, -0.0010599200000000, 0.0013397800000000 ] - [ -0.0034781700000000, 0.0023832600000000, 0.0002348400000000 ] - [ -0.0008673300000000, -0.0028571700000000, 0.0048024500000000 ] - [ -0.0028632500000000, -0.0002176900000000, 0.0003332900000000 ] - [ -0.0000789700000000, -0.0003476800000000, -0.0004979300000000 ] - [ -0.0038177700000000, 0.0001395500000000, 0.0018527500000000 ] - [ -0.0001010300000000, 0.0068467100000000, -0.0058398500000000 ] - [ -0.0043576000000000, 0.0007820400000000, -0.0081782400000000 ] - [ -0.0068504700000000, 0.0019076800000000, 0.0003400400000000 ] - [ 0.0003691000000000, 0.0028663000000000, -0.0007150700000000 ] - [ -0.0029094500000000, -0.0009026000000000, 0.0002130500000000 ] - [ 0.0001920800000000, 0.0006407200000000, 0.0008919900000000 ] - [ -0.0030265200000000, 0.0005404500000000, -0.0018281500000000 ] - [ 0.0247319900000000, 0.0023926800000000, -0.0020670300000000 ] - [ -0.0049697500000000, -0.0011347100000000, -0.0017031400000000 ] - [ 0.0084652300000000, -0.0064352100000000, -0.0086925500000000 ] - [ -0.0040483400000000, 0.0004197700000000, 0.0004979700000000 ] - [ 0.0052270900000000, 0.0007041900000000, -0.0012302000000000 ] - [ -0.0035668500000000, -0.0014174500000000, -0.0006059000000000 ] - [ -0.0044449000000000, -0.0012152900000000, 0.0007612200000000 ] - [ 0.0025610400000000, 0.0005578200000000, -0.0002010000000000 ] - [ -0.1463548600000000, 0.0280850200000000, 0.0268001200000000 ] - [ 0.0024759500000000, 0.0005489600000000, 0.0000071300000000 ] - [ -0.0076125200000000, -0.0019381800000000, 0.0004880100000000 ] - [ 0.0023851600000000, 0.0001517200000000, -0.0005945900000000 ] - [ -0.0015570600000000, -0.0027151300000000, 0.0049879000000000 ] - [ 0.0007743300000000, 0.0001848500000000, -0.0002580000000000 ] - [ -0.0067486400000000, 0.0027785800000000, 0.0043413900000000 ] - [ 0.0011486100000000, 0.0003013500000000, -0.0002692400000000 ] - [ -0.0008843100000000, 0.0026379400000000, 0.0007634500000000 ] - [ 0.0022048600000000, 0.0002187800000000, -0.0003649300000000 ] - [ -0.0041799000000000, -0.0016743500000000, 0.0025456200000000 ] - [ 0.0019564100000000, 0.0001404400000000, -0.0002821200000000 ] - [ -0.0033145800000000, 0.0030067200000000, -0.0026011700000000 ] - [ 0.0026535000000000, 0.0000207900000000, -0.0009294500000000 ] - [ 0.0023946400000000, 0.0000519400000000, -0.0008895100000000 ] - [ -0.0035675200000000, -0.0006030300000000, 0.0030061800000000 ] - [ 0.0024349700000000, -0.0005793400000000, -0.0002878600000000 ] - [ 0.0030013900000000, 0.0094954800000000, -0.0014780400000000 ] - [ 0.0027623800000000, 0.0000982300000000, -0.0008137700000000 ] - [ 0.0054331300000000, -0.0054019900000000, 0.0130993800000000 ] - [ 0.0012989700000000, 0.0006191900000000, -0.0004972700000000 ] - [ 0.0028652800000000, -0.0044750200000000, 0.0017714800000000 ] - [ 0.0006170600000000, -0.0004837600000000, -0.0002755300000000 ] - [ 0.0003019200000000, 0.0007987900000000, -0.0012372700000000 ] - [ 0.0013043000000000, -0.0005713800000000, 0.0003027000000000 ] - [ 0.0009429200000000, 0.0002563000000000, -0.0015469200000000 ] - [ 0.0010329100000000, -0.0000763600000000, -0.0002946000000000 ] - [ 0.0005772500000000, -0.0009686700000000, 0.0013708000000000 ] - [ 0.0039879400000000, -0.0016640400000000, 0.0011045500000000 ] - [ 0.0073109100000000, 0.0013596200000000, -0.0054014200000000 ] - [ 0.0020396500000000, 0.0009575500000000, -0.0005856100000000 ] - [ 0.0016239700000000, -0.0004118700000000, 0.0004897500000000 ] - [ 0.0012111500000000, -0.0016616700000000, 0.0012974400000000 ] - [ 0.0014927300000000, 0.0002416900000000, -0.0003855600000000 ] - [ 0.0014917000000000, -0.0002699400000000, -0.0004658900000000 ] - [ 0.0019465300000000, -0.0000113800000000, 0.0007814000000000 ] - [ 0.0003060600000000, -0.0015608800000000, -0.0007110800000000 ] - [ 0.0009797100000000, 0.0001296100000000, 0.0003684800000000 ] - [ 0.0005406300000000, -0.0017018400000000, 0.0016122900000000 ] - [ 0.0010123800000000, 0.0001869500000000, -0.0004056200000000 ] - [ -0.0003696500000000, 0.0020366400000000, 0.0016261200000000 ] - [ 0.0022512800000000, -0.0013064600000000, -0.0000110000000000 ] - [ -0.0010092400000000, -0.0006835100000000, -0.0001337100000000 ] - [ 0.0013718200000000, 0.0002726600000000, 0.0005156800000000 ] - [ 0.0242874700000000, -0.0018947100000000, 0.0035958900000000 ] - [ 0.0035369800000000, 0.0000252800000000, 0.0005523700000000 ] - [ -0.0017721500000000, 0.0000242200000000, -0.0006326200000000 ] - [ 0.0021870200000000, 0.0001399100000000, 0.0002171800000000 ] - [ 0.0042075700000000, 0.0029594100000000, 0.0099534200000000 ] - [ 0.0024979500000000, -0.0001534900000000, 0.0005494900000000 ] - [ -0.0020236700000000, -0.0011802100000000, -0.0000880300000000 ] - [ 0.0019984800000000, 0.0005269100000000, 0.0000027000000000 ] - [ -0.0011375700000000, 0.0016871200000000, 0.0019349300000000 ] - [ 0.0008171200000000, 0.0001450500000000, 0.0000099500000000 ] - [ 0.0032011500000000, 0.0119935400000000, 0.0043851600000000 ] - [ 0.0012444600000000, 0.0000588100000000, 0.0002048700000000 ] - [ 0.0068451600000000, 0.0016186800000000, -0.0247495000000000 ] - [ 0.0023476600000000, 0.0001335800000000, 0.0004787400000000 ] - [ -0.0035584500000000, 0.0006887400000000, 0.0017240500000000 ] - [ 0.0017337700000000, 0.0001831700000000, -0.0000654000000000 ] - [ 0.0030271900000000, -0.0231269300000000, 0.0018188100000000 ] - [ 0.0027880700000000, 0.0006243400000000, -0.0000748900000000 ]- atom: 47 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ 0.0004759500000000, 0.0003668900000000, 0.0003692800000000 ] - [ 0.0002100500000000, 0.0002726900000000, -0.0002892800000000 ] - [ 0.0011628800000000, 0.0018446800000000, -0.0004238800000000 ] - [ 0.0011931300000000, 0.0003217900000000, -0.0000801700000000 ] - [ -0.0016282000000000, -0.0012016500000000, -0.0010903500000000 ] - [ 0.0007417400000000, -0.0001512200000000, -0.0004091600000000 ] - [ -0.0028297800000000, -0.0005071500000000, 0.0003725100000000 ] - [ 0.0012159100000000, 0.0002294000000000, 0.0001333600000000 ] - [ -0.0054708800000000, 0.0012676900000000, -0.0010847700000000 ] - [ 0.0020123200000000, 0.0000305900000000, -0.0002209300000000 ] - [ -0.0243337300000000, 0.0156866900000000, 0.0155321000000000 ] - [ 0.0025251400000000, 0.0006210300000000, 0.0000409100000000 ] - [ 0.0017671700000000, -0.0003922900000000, -0.0001399700000000 ] - [ -0.0013249500000000, 0.0008140500000000, 0.0007443900000000 ] - [ 0.0034888100000000, -0.0022028900000000, -0.0025934700000000 ] - [ 0.0049244400000000, 0.0013596100000000, 0.0015662100000000 ] - [ 0.0001563700000000, -0.0014037000000000, 0.0014234400000000 ] - [ 0.0019083500000000, -0.0001674600000000, 0.0001170500000000 ] - [ 0.0000821700000000, 0.0024455900000000, -0.0017754800000000 ] - [ 0.0018479200000000, 0.0000311200000000, -0.0000361100000000 ] - [ -0.0266585400000000, 0.0128158700000000, 0.0010772900000000 ] - [ 0.0047262900000000, 0.0012995900000000, -0.0014319200000000 ] - [ -0.0266767800000000, -0.0042522900000000, 0.0103948700000000 ] - [ 0.0038604900000000, -0.0003036400000000, -0.0000767000000000 ] - [ -0.0079873900000000, -0.0029186400000000, 0.0029856700000000 ] - [ 0.0035387700000000, 0.0009323000000000, -0.0014276500000000 ] - [ 0.0040010600000000, -0.0025578000000000, -0.0001561900000000 ] - [ 0.0014622100000000, 0.0027110700000000, -0.0047368700000000 ] - [ 0.0028530700000000, 0.0000350200000000, -0.0002519100000000 ] - [ 0.0001391800000000, 0.0001519900000000, 0.0005759000000000 ] - [ 0.0035820600000000, -0.0000459500000000, -0.0018347600000000 ] - [ -0.0000952700000000, -0.0067468000000000, 0.0058819400000000 ] - [ 0.0044184100000000, -0.0008993700000000, 0.0085334500000000 ] - [ 0.0069140900000000, -0.0020426600000000, -0.0001187000000000 ] - [ -0.0002917600000000, -0.0029178700000000, 0.0004624600000000 ] - [ 0.0030534700000000, 0.0008901500000000, -0.0004835500000000 ] - [ 0.0000637600000000, -0.0005892800000000, -0.0010771700000000 ] - [ 0.0033475800000000, -0.0004918800000000, 0.0016758900000000 ] - [ -0.0286913400000000, -0.0026688300000000, 0.0019662300000000 ] - [ 0.0047288000000000, 0.0011992200000000, 0.0018860100000000 ] - [ -0.0087164100000000, 0.0065007900000000, 0.0090521900000000 ] - [ 0.0039810100000000, -0.0004269500000000, -0.0002332400000000 ] - [ -0.0053366500000000, -0.0008424200000000, 0.0010389700000000 ] - [ 0.0035756800000000, 0.0013140700000000, 0.0004072900000000 ] - [ 0.0046457900000000, 0.0010876600000000, -0.0006798300000000 ] - [ -0.0024418600000000, -0.0007122300000000, 0.0002970900000000 ] - [ 0.1503132600000000, -0.0267723100000000, -0.0259704400000000 ] - [ -0.0023976600000000, -0.0004954000000000, -0.0000787100000000 ] - [ 0.0075474400000000, 0.0017594700000000, -0.0005153600000000 ] - [ -0.0025565300000000, -0.0003833900000000, 0.0005537000000000 ] - [ 0.0015282800000000, 0.0027816400000000, -0.0050320700000000 ] - [ -0.0008949200000000, -0.0002201800000000, 0.0004044600000000 ] - [ 0.0068220200000000, -0.0026140700000000, -0.0044915100000000 ] - [ -0.0010523200000000, 0.0000032300000000, 0.0002825200000000 ] - [ 0.0009918500000000, -0.0028651200000000, -0.0009252500000000 ] - [ -0.0020946200000000, -0.0002473200000000, 0.0002561100000000 ] - [ 0.0042965400000000, 0.0018761900000000, -0.0024717200000000 ] - [ -0.0018406800000000, -0.0000085800000000, 0.0004352900000000 ] - [ 0.0032386200000000, -0.0030562300000000, 0.0025606500000000 ] - [ -0.0026764500000000, 0.0000058400000000, 0.0008015500000000 ] - [ -0.0024127800000000, -0.0000270300000000, 0.0010324800000000 ] - [ 0.0035551400000000, 0.0006313600000000, -0.0028751500000000 ] - [ -0.0025947600000000, 0.0007249900000000, 0.0001388600000000 ] - [ -0.0030831200000000, -0.0092407200000000, 0.0013163200000000 ] - [ -0.0029238900000000, -0.0001331300000000, 0.0009401200000000 ] - [ -0.0054733200000000, 0.0053236800000000, -0.0128403600000000 ] - [ -0.0014188500000000, -0.0003194900000000, 0.0004947500000000 ] - [ -0.0029941900000000, 0.0047671100000000, -0.0017808600000000 ] - [ -0.0005069200000000, 0.0004561900000000, 0.0001302400000000 ] - [ -0.0002023600000000, -0.0008365100000000, 0.0010908300000000 ] - [ -0.0011600600000000, 0.0003480900000000, -0.0002630200000000 ] - [ -0.0008214100000000, -0.0004836100000000, 0.0016004400000000 ] - [ -0.0011364100000000, 0.0001330200000000, 0.0003723000000000 ] - [ -0.0007037200000000, 0.0010221300000000, -0.0013033100000000 ] - [ -0.0041832400000000, 0.0015401600000000, -0.0012195400000000 ] - [ -0.0074701300000000, -0.0014909100000000, 0.0052685700000000 ] - [ -0.0019962400000000, -0.0009378200000000, 0.0007889300000000 ] - [ -0.0015920300000000, 0.0004464000000000, -0.0002982100000000 ] - [ -0.0011858400000000, 0.0014994700000000, -0.0015115700000000 ] - [ -0.0014871600000000, -0.0004222500000000, 0.0001935300000000 ] - [ -0.0016401200000000, 0.0001895300000000, 0.0005721900000000 ] - [ -0.0021125600000000, -0.0000666500000000, -0.0006891800000000 ] - [ -0.0004912800000000, 0.0015547800000000, 0.0007847800000000 ] - [ -0.0011795900000000, -0.0001534100000000, -0.0003031000000000 ] - [ -0.0004683500000000, 0.0017639200000000, -0.0016095900000000 ] - [ -0.0009478800000000, -0.0001408200000000, 0.0004355900000000 ] - [ 0.0003024200000000, -0.0023332800000000, -0.0015249300000000 ] - [ -0.0023576900000000, 0.0010543000000000, 0.0001329900000000 ] - [ 0.0008172000000000, 0.0006580200000000, 0.0001864600000000 ] - [ -0.0016024800000000, -0.0003098500000000, -0.0004715900000000 ] - [ -0.0246975100000000, 0.0020855700000000, -0.0035236600000000 ] - [ -0.0034329500000000, 0.0001230000000000, -0.0004244000000000 ] - [ 0.0016856400000000, 0.0001242000000000, 0.0005066200000000 ] - [ -0.0023394300000000, 0.0000073100000000, -0.0003520200000000 ] - [ -0.0040194000000000, -0.0030374200000000, -0.0101839900000000 ] - [ -0.0022991900000000, 0.0001194400000000, -0.0006067100000000 ] - [ 0.0021516200000000, 0.0009418900000000, -0.0000359400000000 ] - [ -0.0019334000000000, -0.0007877300000000, -0.0001263900000000 ] - [ 0.0010874000000000, -0.0016729900000000, -0.0019962100000000 ] - [ -0.0008950800000000, -0.0001119800000000, -0.0000472900000000 ] - [ -0.0030089500000000, -0.0122326100000000, -0.0044938800000000 ] - [ -0.0010644800000000, -0.0000882100000000, -0.0002714500000000 ] - [ -0.0067232800000000, -0.0017365700000000, 0.0251142300000000 ] - [ -0.0022241300000000, -0.0002172800000000, -0.0005801900000000 ] - [ 0.0035827100000000, -0.0008772600000000, -0.0015562000000000 ] - [ -0.0017806600000000, -0.0003738300000000, 0.0002562900000000 ] - [ -0.0030930400000000, 0.0235582600000000, -0.0020394000000000 ] - [ -0.0028696400000000, -0.0005918200000000, -0.0001200200000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004470200000000, -0.0000831700000000, -0.0001573200000000 ] - [ 0.0000338400000000, -0.0005660800000000, 0.0004931200000000 ] - [ -0.0010174800000000, -0.0002498300000000, 0.0005595300000000 ] - [ 0.0003333200000000, 0.0000094400000000, -0.0000365700000000 ] - [ 0.0012377200000000, 0.0006641700000000, -0.0017227500000000 ] - [ -0.0003418900000000, 0.0002403600000000, -0.0000250700000000 ] - [ 0.0013329700000000, 0.0019147500000000, 0.0007210100000000 ] - [ -0.0001424800000000, 0.0002188900000000, -0.0000452600000000 ] - [ 0.0017088500000000, -0.0080322000000000, -0.0000831500000000 ] - [ -0.0003563900000000, -0.0000992500000000, 0.0000320300000000 ] - [ -0.0147907900000000, 0.0213488700000000, 0.0158086600000000 ] - [ -0.0008084300000000, -0.0001944900000000, 0.0001172800000000 ] - [ -0.0002888600000000, 0.0000516000000000, -0.0000375300000000 ] - [ -0.0005801500000000, -0.0020688800000000, -0.0013240700000000 ] - [ -0.0004999800000000, 0.0009337200000000, 0.0003332200000000 ] - [ -0.0007934100000000, 0.0026341500000000, -0.0012940800000000 ] - [ 0.0024047500000000, -0.0019748800000000, 0.0024306700000000 ] - [ -0.0010588600000000, -0.0000184900000000, 0.0000175000000000 ] - [ -0.0007999200000000, -0.0003988200000000, 0.0002072700000000 ] - [ 0.0000858400000000, 0.0002098100000000, 0.0001901100000000 ] - [ -0.0058347200000000, 0.0156095100000000, -0.0069390500000000 ] - [ -0.0008886200000000, -0.0001245600000000, 0.0002973200000000 ] - [ 0.0025092600000000, 0.0199348500000000, 0.0116843900000000 ] - [ -0.0008264400000000, 0.0000474500000000, -0.0000217100000000 ] - [ 0.0006463000000000, -0.0016838700000000, -0.0010061600000000 ] - [ -0.0011869400000000, -0.0004041800000000, 0.0002533200000000 ] - [ -0.0003713200000000, 0.0008116600000000, 0.0001316100000000 ] - [ -0.0092457900000000, 0.0022791300000000, 0.0051221300000000 ] - [ -0.0002876800000000, -0.0004122800000000, 0.0002344900000000 ] - [ -0.0092406800000000, -0.0108465400000000, -0.0019431100000000 ] - [ -0.0011891300000000, -0.0000194600000000, 0.0003954600000000 ] - [ 0.0059901800000000, -0.0043673500000000, -0.0000921000000000 ] - [ -0.0019079700000000, 0.0025547300000000, -0.0014702000000000 ] - [ -0.0001827900000000, 0.0013797300000000, -0.0001982100000000 ] - [ 0.0001932500000000, 0.0011004500000000, -0.0003852600000000 ] - [ -0.0021216400000000, 0.0003974400000000, 0.0008736000000000 ] - [ 0.0006733300000000, -0.0007718400000000, -0.0006812000000000 ] - [ -0.0007991600000000, -0.0015890600000000, -0.0012753500000000 ] - [ -0.0095077600000000, 0.0225147900000000, -0.0018865900000000 ] - [ -0.0010104900000000, -0.0000191400000000, -0.0003548400000000 ] - [ -0.0032391900000000, -0.0036331800000000, -0.0065541700000000 ] - [ -0.0008081800000000, -0.0001749200000000, 0.0001937300000000 ] - [ 0.0002508000000000, -0.0022731000000000, -0.0010912400000000 ] - [ -0.0010303700000000, -0.0008187600000000, -0.0002162400000000 ] - [ -0.0003411400000000, 0.0031571800000000, 0.0004080100000000 ] - [ 0.0007569000000000, 0.0002075300000000, -0.0000091800000000 ] - [ 0.0269599500000000, -0.1324168000000000, -0.0229111300000000 ] - [ 0.0005589900000000, 0.0000667400000000, -0.0000281900000000 ] - [ 0.0010373000000000, 0.0036557800000000, 0.0057417300000000 ] - [ 0.0004792100000000, -0.0000329400000000, -0.0001428800000000 ] - [ -0.0003999000000000, 0.0006820400000000, -0.0009719700000000 ] - [ 0.0001471000000000, 0.0000045700000000, -0.0000161000000000 ] - [ 0.0014876800000000, 0.0055279800000000, 0.0204133900000000 ] - [ 0.0003042900000000, 0.0000991700000000, -0.0000550100000000 ] - [ 0.0065300500000000, 0.0256029000000000, 0.0059135100000000 ] - [ 0.0004945300000000, 0.0000508200000000, -0.0001054100000000 ] - [ -0.0027160700000000, 0.0051932100000000, -0.0083708800000000 ] - [ 0.0005412700000000, 0.0001073700000000, 0.0000043100000000 ] - [ 0.0072461800000000, 0.0049625800000000, -0.0142729300000000 ] - [ 0.0006177000000000, -0.0000490900000000, -0.0002820500000000 ] - [ 0.0006698000000000, 0.0000543300000000, -0.0000987600000000 ] - [ -0.0020406200000000, 0.0006828200000000, -0.0001826800000000 ] - [ 0.0003258800000000, -0.0000418500000000, -0.0001980200000000 ] - [ 0.0086929900000000, 0.0056264200000000, -0.0011252100000000 ] - [ 0.0005983800000000, -0.0000560600000000, -0.0001340700000000 ] - [ -0.0035046200000000, -0.0013255200000000, -0.0023870200000000 ] - [ 0.0003394000000000, 0.0005081500000000, -0.0001629500000000 ] - [ -0.0037243700000000, 0.0100011400000000, 0.0002867800000000 ] - [ 0.0001913300000000, -0.0001008900000000, -0.0002379000000000 ] - [ 0.0010503000000000, 0.0020346300000000, -0.0005570800000000 ] - [ 0.0002738300000000, -0.0002162800000000, 0.0000866900000000 ] - [ 0.0019863800000000, -0.0002026700000000, -0.0021014200000000 ] - [ 0.0000717700000000, 0.0001523700000000, 0.0000228300000000 ] - [ 0.0009719400000000, 0.0027380700000000, 0.0014687400000000 ] - [ 0.0013461500000000, -0.0009335700000000, 0.0001192800000000 ] - [ -0.0011187700000000, -0.0041925800000000, 0.0012332400000000 ] - [ 0.0008054100000000, 0.0005808400000000, -0.0001009600000000 ] - [ -0.0015840500000000, 0.0013516700000000, 0.0003214700000000 ] - [ -0.0002695500000000, -0.0010427900000000, -0.0004795900000000 ] - [ 0.0018280900000000, -0.0009637500000000, -0.0007219900000000 ] - [ -0.0005070800000000, 0.0010447300000000, 0.0001889800000000 ] - [ 0.0016846500000000, 0.0009804100000000, 0.0013032200000000 ] - [ -0.0003547600000000, -0.0003105300000000, 0.0005482500000000 ] - [ 0.0003571900000000, 0.0000827500000000, -0.0000308400000000 ] - [ 0.0003628500000000, -0.0010321500000000, 0.0006513100000000 ] - [ 0.0001209900000000, -0.0007991400000000, -0.0001549200000000 ] - [ 0.0016835000000000, -0.0008520500000000, 0.0010328100000000 ] - [ 0.0001828400000000, -0.0003680700000000, 0.0000428500000000 ] - [ -0.0000967700000000, 0.0000903300000000, 0.0004131000000000 ] - [ 0.0003660500000000, 0.0004336500000000, 0.0000095200000000 ] - [ 0.0049001000000000, 0.0012771500000000, 0.0009697600000000 ] - [ 0.0005278300000000, -0.0003909800000000, 0.0003631800000000 ] - [ -0.0009499700000000, 0.0012197800000000, 0.0009943100000000 ] - [ 0.0005440700000000, 0.0003295400000000, 0.0000758100000000 ] - [ 0.0023315600000000, -0.0022916200000000, 0.0018579900000000 ] - [ 0.0004558800000000, -0.0001627000000000, 0.0001780900000000 ] - [ -0.0007669800000000, 0.0002638200000000, 0.0000087600000000 ] - [ 0.0008658000000000, 0.0002487100000000, -0.0001263200000000 ] - [ -0.0002245200000000, 0.0032035700000000, -0.0000412000000000 ] - [ 0.0002600700000000, 0.0003045500000000, -0.0000084200000000 ] - [ 0.0109761500000000, 0.0073281800000000, 0.0040804800000000 ] - [ 0.0002995600000000, 0.0000556500000000, 0.0000456400000000 ] - [ 0.0032087300000000, -0.0061622300000000, -0.0038411500000000 ] - [ 0.0004889300000000, -0.0000921800000000, 0.0000711900000000 ] - [ 0.0005546800000000, 0.0009256600000000, 0.0014394900000000 ] - [ 0.0003255100000000, 0.0001073000000000, 0.0000297400000000 ] - [ -0.0247176200000000, 0.0090919700000000, -0.0016747300000000 ] - [ 0.0007111600000000, -0.0000308500000000, -0.0000487600000000 ]- atom: 47 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001652100000000, 0.0004125600000000, 0.0001579200000000 ] - [ -0.0003148900000000, 0.0008885300000000, -0.0004825200000000 ] - [ 0.0012152500000000, 0.0004884800000000, -0.0003323400000000 ] - [ -0.0001402000000000, 0.0002416500000000, 0.0002634400000000 ] - [ -0.0014306600000000, -0.0003846200000000, 0.0014829600000000 ] - [ 0.0001390400000000, 0.0000201100000000, -0.0002019200000000 ] - [ -0.0010376900000000, -0.0015469100000000, -0.0007210300000000 ] - [ 0.0004179300000000, 0.0001138400000000, 0.0000431700000000 ] - [ -0.0014715500000000, 0.0080290700000000, 0.0000238900000000 ] - [ 0.0005181600000000, 0.0001185100000000, -0.0000385300000000 ] - [ 0.0155115400000000, -0.0219234900000000, -0.0165368800000000 ] - [ 0.0006094500000000, 0.0001363900000000, -0.0000182300000000 ] - [ 0.0004639000000000, -0.0000981700000000, -0.0000634200000000 ] - [ 0.0007688500000000, 0.0020114600000000, 0.0012162400000000 ] - [ 0.0003071700000000, -0.0008852800000000, -0.0003054900000000 ] - [ 0.0006352500000000, -0.0025703400000000, 0.0012886700000000 ] - [ -0.0023950400000000, 0.0020020700000000, -0.0022960900000000 ] - [ 0.0010155100000000, 0.0000555100000000, 0.0000923900000000 ] - [ 0.0008094400000000, 0.0004042200000000, -0.0003006200000000 ] - [ -0.0000668700000000, -0.0001777900000000, -0.0002951300000000 ] - [ 0.0062433400000000, -0.0124437700000000, 0.0064562300000000 ] - [ 0.0011272000000000, 0.0002089400000000, -0.0003361900000000 ] - [ -0.0024334400000000, -0.0201473800000000, -0.0115362200000000 ] - [ 0.0008335100000000, -0.0002192600000000, -0.0000370200000000 ] - [ -0.0010860600000000, 0.0014377800000000, 0.0009174100000000 ] - [ 0.0006943300000000, 0.0002592400000000, -0.0003243500000000 ] - [ 0.0008271100000000, -0.0009240700000000, -0.0000615000000000 ] - [ 0.0095936100000000, -0.0023483200000000, -0.0049960900000000 ] - [ 0.0002601100000000, 0.0002333200000000, -0.0001603300000000 ] - [ 0.0090480100000000, 0.0106163100000000, 0.0020017900000000 ] - [ 0.0009093100000000, 0.0000999500000000, -0.0003365500000000 ] - [ -0.0062390800000000, 0.0043377200000000, 0.0001039300000000 ] - [ 0.0018946900000000, -0.0026913600000000, 0.0016091300000000 ] - [ 0.0002134400000000, -0.0015086200000000, 0.0003983800000000 ] - [ -0.0000810500000000, -0.0010803700000000, 0.0001105500000000 ] - [ 0.0021994300000000, -0.0003941500000000, -0.0011304000000000 ] - [ -0.0003735300000000, 0.0008220800000000, 0.0005043500000000 ] - [ 0.0010565300000000, 0.0016324300000000, 0.0010791500000000 ] - [ 0.0091149900000000, -0.0222468800000000, 0.0019785100000000 ] - [ 0.0007118000000000, 0.0000686100000000, 0.0005146300000000 ] - [ 0.0031494400000000, 0.0035303500000000, 0.0068524300000000 ] - [ 0.0006804200000000, 0.0001632400000000, 0.0000776400000000 ] - [ -0.0002507000000000, 0.0021225900000000, 0.0008878300000000 ] - [ 0.0009855400000000, 0.0006628600000000, 0.0000107800000000 ] - [ 0.0004479000000000, -0.0032579800000000, -0.0002999900000000 ] - [ -0.0006194800000000, -0.0003334300000000, 0.0001074300000000 ] - [ -0.0278756800000000, 0.1291217900000000, 0.0240963000000000 ] - [ -0.0004718000000000, 0.0000049100000000, -0.0000301800000000 ] - [ -0.0012172500000000, -0.0038612600000000, -0.0058301400000000 ] - [ -0.0006337700000000, -0.0001975600000000, 0.0000802200000000 ] - [ 0.0003119400000000, -0.0006615700000000, 0.0009103900000000 ] - [ -0.0002495000000000, -0.0000573900000000, 0.0001291600000000 ] - [ -0.0013561900000000, -0.0051953800000000, -0.0200821000000000 ] - [ -0.0001922800000000, 0.0001869400000000, 0.0000543400000000 ] - [ -0.0062898900000000, -0.0251512900000000, -0.0059124500000000 ] - [ -0.0003484000000000, -0.0000900600000000, -0.0000098800000000 ] - [ 0.0028595000000000, -0.0050664900000000, 0.0086464000000000 ] - [ -0.0003973200000000, 0.0000344800000000, 0.0001504600000000 ] - [ -0.0071097200000000, -0.0048977500000000, 0.0138614400000000 ] - [ -0.0005801300000000, 0.0000795000000000, 0.0001556900000000 ] - [ -0.0006833500000000, -0.0000208200000000, 0.0002170900000000 ] - [ 0.0019992200000000, -0.0006343400000000, 0.0003118600000000 ] - [ -0.0004486700000000, 0.0001750800000000, 0.0000423300000000 ] - [ -0.0086943800000000, -0.0054578000000000, 0.0009642000000000 ] - [ -0.0007189600000000, 0.0000216700000000, 0.0002400600000000 ] - [ 0.0032681400000000, 0.0013676200000000, 0.0024358500000000 ] - [ -0.0004394300000000, -0.0002106400000000, 0.0001554300000000 ] - [ 0.0036675000000000, -0.0096652300000000, -0.0002654800000000 ] - [ -0.0000826900000000, 0.0000428900000000, 0.0001178300000000 ] - [ -0.0009245000000000, -0.0020825000000000, 0.0004188300000000 ] - [ -0.0001023300000000, -0.0000213700000000, -0.0000206300000000 ] - [ -0.0017967600000000, -0.0000354500000000, 0.0021311600000000 ] - [ -0.0001499300000000, -0.0000831500000000, 0.0000319900000000 ] - [ -0.0010325600000000, -0.0026390600000000, -0.0013853000000000 ] - [ -0.0014322600000000, 0.0007867200000000, -0.0002064300000000 ] - [ 0.0009591100000000, 0.0040167700000000, -0.0012974000000000 ] - [ -0.0007443900000000, -0.0005423800000000, 0.0002909900000000 ] - [ 0.0016275200000000, -0.0013091900000000, -0.0001211000000000 ] - [ 0.0002870700000000, 0.0008223300000000, 0.0002724700000000 ] - [ -0.0017855100000000, 0.0007466300000000, 0.0005038000000000 ] - [ 0.0003394000000000, -0.0011197000000000, -0.0000650100000000 ] - [ -0.0017979800000000, -0.0010580900000000, -0.0011609000000000 ] - [ 0.0001629900000000, 0.0002783800000000, -0.0004661500000000 ] - [ -0.0005403300000000, -0.0001048000000000, 0.0001097200000000 ] - [ -0.0002874200000000, 0.0010698400000000, -0.0005932800000000 ] - [ -0.0000532900000000, 0.0008406200000000, 0.0002008300000000 ] - [ -0.0017552000000000, 0.0006599500000000, -0.0009095200000000 ] - [ -0.0002382900000000, 0.0001488400000000, 0.0000774700000000 ] - [ -0.0001148700000000, -0.0001491700000000, -0.0003815800000000 ] - [ -0.0005600900000000, -0.0004837100000000, 0.0000219800000000 ] - [ -0.0045315400000000, -0.0011961200000000, -0.0008099200000000 ] - [ -0.0003719500000000, 0.0005347400000000, -0.0002373200000000 ] - [ 0.0007794800000000, -0.0010669200000000, -0.0011052200000000 ] - [ -0.0006742300000000, -0.0001779900000000, -0.0001987100000000 ] - [ -0.0020556300000000, 0.0022788700000000, -0.0018103800000000 ] - [ -0.0002519400000000, 0.0001083500000000, -0.0002031000000000 ] - [ 0.0008186100000000, -0.0005015000000000, -0.0001337600000000 ] - [ -0.0007863300000000, -0.0004724800000000, 0.0000033900000000 ] - [ 0.0001547500000000, -0.0031172400000000, -0.0000157200000000 ] - [ -0.0003185400000000, -0.0002424300000000, -0.0000356300000000 ] - [ -0.0109478900000000, -0.0074097800000000, -0.0042075500000000 ] - [ -0.0001040600000000, -0.0000678600000000, -0.0001255200000000 ] - [ -0.0029144800000000, 0.0061211900000000, 0.0035587400000000 ] - [ -0.0003263100000000, 0.0000100000000000, -0.0001915500000000 ] - [ -0.0005796200000000, -0.0010983300000000, -0.0012364200000000 ] - [ -0.0003355700000000, -0.0002994800000000, 0.0001778000000000 ] - [ 0.0241848300000000, -0.0089995800000000, 0.0014554600000000 ] - [ -0.0007439700000000, 0.0000520900000000, -0.0001433600000000 ]- atom: 47 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ -0.0001458500000000, 0.0000267000000000, -0.0002152100000000 ] - [ -0.0003928000000000, 0.0004284600000000, -0.0006687100000000 ] - [ -0.0001211700000000, -0.0000316900000000, 0.0004540400000000 ] - [ 0.0001038300000000, 0.0001206600000000, 0.0005306900000000 ] - [ 0.0014630000000000, -0.0011209400000000, 0.0003547200000000 ] - [ -0.0001785600000000, 0.0001860800000000, -0.0000806100000000 ] - [ 0.0002723000000000, -0.0003458000000000, -0.0037541200000000 ] - [ 0.0001456800000000, 0.0001838500000000, -0.0000716400000000 ] - [ 0.0009916900000000, 0.0010822400000000, 0.0027229900000000 ] - [ -0.0000461800000000, -0.0000160900000000, 0.0001568000000000 ] - [ -0.0176218200000000, 0.0163236900000000, 0.0215691300000000 ] - [ -0.0003007500000000, -0.0001995600000000, 0.0001917000000000 ] - [ 0.0001485300000000, 0.0000207200000000, -0.0000874100000000 ] - [ -0.0021624500000000, -0.0013899600000000, -0.0018417600000000 ] - [ -0.0000565100000000, 0.0001090100000000, 0.0007154700000000 ] - [ -0.0012980500000000, -0.0013249100000000, 0.0023201700000000 ] - [ -0.0005301700000000, 0.0004932100000000, -0.0003153000000000 ] - [ 0.0001935000000000, 0.0001681400000000, 0.0002556900000000 ] - [ 0.0022402100000000, 0.0015323100000000, -0.0014794100000000 ] - [ -0.0007402900000000, -0.0002830300000000, -0.0005289300000000 ] - [ 0.0022108600000000, 0.0058548300000000, 0.0234068700000000 ] - [ 0.0000579100000000, 0.0001322000000000, 0.0002275700000000 ] - [ 0.0035246700000000, 0.0114302700000000, 0.0051497000000000 ] - [ 0.0000203700000000, -0.0001679100000000, -0.0000120200000000 ] - [ 0.0014169800000000, 0.0099353800000000, -0.0095029000000000 ] - [ -0.0002513600000000, -0.0001750200000000, -0.0002665000000000 ] - [ 0.0000948700000000, 0.0007022000000000, -0.0002710400000000 ] - [ 0.0070909300000000, 0.0030474700000000, -0.0030191600000000 ] - [ -0.0000197000000000, -0.0000275800000000, 0.0003855200000000 ] - [ 0.0016737400000000, 0.0012811600000000, 0.0031915500000000 ] - [ 0.0004516900000000, -0.0001329600000000, 0.0001027600000000 ] - [ -0.0056638600000000, 0.0077020900000000, 0.0024873200000000 ] - [ -0.0032498100000000, 0.0012806300000000, -0.0013190500000000 ] - [ 0.0035086300000000, -0.0010816600000000, -0.0005713900000000 ] - [ 0.0014017200000000, 0.0004176600000000, -0.0013192200000000 ] - [ 0.0001470600000000, 0.0003210700000000, -0.0018113100000000 ] - [ 0.0009916300000000, 0.0000593600000000, 0.0007378500000000 ] - [ -0.0012979700000000, 0.0014582200000000, 0.0003035300000000 ] - [ -0.0100003600000000, -0.0016419500000000, 0.0181453500000000 ] - [ -0.0001721500000000, -0.0000351600000000, 0.0006618100000000 ] - [ -0.0004292900000000, -0.0051130500000000, -0.0036370600000000 ] - [ 0.0002792600000000, -0.0002914700000000, 0.0000054900000000 ] - [ 0.0022200700000000, 0.0003580400000000, -0.0018790200000000 ] - [ -0.0002525500000000, 0.0000115500000000, -0.0005882600000000 ] - [ -0.0017011400000000, -0.0015165200000000, 0.0014137200000000 ] - [ 0.0001494900000000, -0.0000375700000000, 0.0001009700000000 ] - [ 0.0267678300000000, -0.0233119200000000, -0.1246681100000000 ] - [ 0.0000822300000000, 0.0000203800000000, -0.0001918900000000 ] - [ -0.0000559100000000, 0.0036452400000000, 0.0103073200000000 ] - [ -0.0001060100000000, -0.0000422900000000, 0.0001383900000000 ] - [ -0.0039959600000000, -0.0110684400000000, 0.0238813500000000 ] - [ -0.0000531600000000, 0.0000182800000000, 0.0001507400000000 ] - [ 0.0019739600000000, 0.0211381800000000, 0.0099823700000000 ] - [ 0.0000596300000000, 0.0001624800000000, -0.0000781900000000 ] - [ -0.0015126900000000, -0.0050938400000000, -0.0009686900000000 ] - [ 0.0000977500000000, -0.0000856000000000, -0.0001338000000000 ] - [ 0.0019352300000000, -0.0078793000000000, 0.0041983200000000 ] - [ -0.0000105600000000, 0.0001036400000000, 0.0000812700000000 ] - [ -0.0058149500000000, -0.0121819100000000, 0.0070687700000000 ] - [ 0.0001323200000000, -0.0000988700000000, -0.0001621700000000 ] - [ -0.0000529400000000, 0.0000419400000000, 0.0002345700000000 ] - [ 0.0009246000000000, -0.0009813800000000, 0.0014941500000000 ] - [ 0.0000056100000000, -0.0000693300000000, -0.0001965000000000 ] - [ -0.0015076300000000, -0.0012485800000000, -0.0024541400000000 ] - [ -0.0001759300000000, 0.0000764700000000, -0.0000295900000000 ] - [ 0.0116094400000000, -0.0052947200000000, 0.0043223800000000 ] - [ -0.0000027500000000, 0.0002397200000000, -0.0002591800000000 ] - [ -0.0011222000000000, -0.0001065700000000, -0.0034725600000000 ] - [ 0.0000814000000000, -0.0001390800000000, -0.0001949200000000 ] - [ -0.0005254900000000, -0.0018181000000000, -0.0011902300000000 ] - [ -0.0002624500000000, -0.0001908100000000, 0.0004312800000000 ] - [ 0.0003811600000000, -0.0001819900000000, 0.0030035400000000 ] - [ -0.0003931900000000, 0.0000286500000000, -0.0001352200000000 ] - [ 0.0012852100000000, -0.0014065300000000, -0.0013753600000000 ] - [ 0.0012276600000000, -0.0007744900000000, -0.0000205900000000 ] - [ -0.0057605400000000, -0.0008977700000000, 0.0029819100000000 ] - [ -0.0007617800000000, -0.0003232900000000, -0.0001652100000000 ] - [ 0.0023547000000000, -0.0012952400000000, -0.0002624700000000 ] - [ 0.0001612000000000, -0.0006407200000000, 0.0005945200000000 ] - [ -0.0012279000000000, -0.0005225600000000, 0.0005031200000000 ] - [ 0.0000377200000000, -0.0000668400000000, -0.0004850300000000 ] - [ -0.0005943300000000, -0.0003259900000000, -0.0010613500000000 ] - [ -0.0005300600000000, 0.0002178400000000, 0.0000410400000000 ] - [ 0.0002860700000000, -0.0001024200000000, 0.0005160600000000 ] - [ -0.0005285400000000, -0.0002688600000000, 0.0020166900000000 ] - [ 0.0001125300000000, 0.0001017500000000, 0.0012973400000000 ] - [ 0.0005919000000000, 0.0006479300000000, 0.0005452500000000 ] - [ -0.0004006800000000, 0.0004970500000000, 0.0001824200000000 ] - [ -0.0006984200000000, -0.0000969000000000, 0.0000966000000000 ] - [ 0.0001086800000000, -0.0003637800000000, 0.0004664300000000 ] - [ 0.0019740900000000, 0.0002755300000000, 0.0021875800000000 ] - [ 0.0000925900000000, 0.0001923100000000, -0.0008466200000000 ] - [ -0.0010470000000000, 0.0001155500000000, -0.0004817700000000 ] - [ 0.0004985300000000, -0.0000766300000000, 0.0000455200000000 ] - [ 0.0096011300000000, 0.0024740800000000, 0.0052188300000000 ] - [ -0.0005094400000000, 0.0000818500000000, -0.0002880900000000 ] - [ -0.0011425900000000, 0.0000572200000000, 0.0009009600000000 ] - [ 0.0000262300000000, -0.0003028400000000, 0.0001442300000000 ] - [ -0.0000614600000000, 0.0009504800000000, 0.0015165100000000 ] - [ -0.0001046800000000, 0.0000863000000000, 0.0001731700000000 ] - [ 0.0017879700000000, 0.0019427800000000, -0.0016281800000000 ] - [ 0.0001230100000000, 0.0000798000000000, -0.0002267700000000 ] - [ -0.0208818400000000, -0.0020620200000000, 0.0076527200000000 ] - [ 0.0002266200000000, 0.0000480800000000, -0.0002434700000000 ] - [ -0.0014501000000000, -0.0011521200000000, 0.0025043400000000 ] - [ 0.0000709700000000, -0.0000480100000000, 0.0003500800000000 ] - [ 0.0025358600000000, -0.0024524400000000, -0.0061461100000000 ] - [ -0.0000284800000000, -0.0000056800000000, -0.0002149500000000 ]- atom: 47 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ -0.0001280400000000, 0.0002910400000000, 0.0002046200000000 ] - [ 0.0001127500000000, -0.0001050700000000, 0.0006528700000000 ] - [ 0.0003102300000000, 0.0002808900000000, -0.0002254200000000 ] - [ 0.0000937600000000, 0.0001401500000000, -0.0003030400000000 ] - [ -0.0016447500000000, 0.0013753000000000, -0.0005614300000000 ] - [ -0.0000182700000000, 0.0000733700000000, -0.0001447800000000 ] - [ 0.0000252800000000, 0.0006378200000000, 0.0037476500000000 ] - [ 0.0001271300000000, 0.0001350500000000, 0.0000809600000000 ] - [ -0.0008120300000000, -0.0010536500000000, -0.0026798900000000 ] - [ 0.0002227900000000, 0.0000383400000000, -0.0001579000000000 ] - [ 0.0182889400000000, -0.0172138900000000, -0.0219509900000000 ] - [ 0.0001109300000000, 0.0001448900000000, -0.0000962300000000 ] - [ 0.0000302700000000, -0.0000695900000000, -0.0000111000000000 ] - [ 0.0023211600000000, 0.0013229400000000, 0.0017402400000000 ] - [ -0.0001382300000000, -0.0000725800000000, -0.0006907300000000 ] - [ 0.0011289300000000, 0.0013318800000000, -0.0022855300000000 ] - [ 0.0004882100000000, -0.0004437500000000, 0.0003873100000000 ] - [ -0.0002196300000000, -0.0001345200000000, -0.0001610000000000 ] - [ -0.0021878500000000, -0.0014894400000000, 0.0013837000000000 ] - [ 0.0007554300000000, 0.0003147500000000, 0.0004291000000000 ] - [ -0.0018365800000000, -0.0056367600000000, -0.0232026700000000 ] - [ 0.0001997600000000, -0.0000561600000000, -0.0002485100000000 ] - [ -0.0031970500000000, -0.0115734900000000, -0.0029717100000000 ] - [ 0.0000011100000000, -0.0000225600000000, -0.0000933900000000 ] - [ -0.0019274400000000, -0.0098991900000000, 0.0093806700000000 ] - [ -0.0002657800000000, 0.0000293100000000, 0.0001853300000000 ] - [ 0.0004073600000000, -0.0008393700000000, 0.0003434600000000 ] - [ -0.0065821500000000, -0.0032071700000000, 0.0030339300000000 ] - [ -0.0000195600000000, -0.0001635800000000, -0.0002789500000000 ] - [ -0.0016336800000000, -0.0014437800000000, -0.0030843600000000 ] - [ -0.0007223300000000, 0.0002114800000000, -0.0000690000000000 ] - [ 0.0053488100000000, -0.0075461100000000, -0.0023926800000000 ] - [ 0.0033027400000000, -0.0013802300000000, 0.0014486800000000 ] - [ -0.0034738100000000, 0.0009904200000000, 0.0007738000000000 ] - [ -0.0012778700000000, -0.0004214000000000, 0.0010511900000000 ] - [ -0.0000599100000000, -0.0003333200000000, 0.0015473500000000 ] - [ -0.0007042200000000, -0.0000008800000000, -0.0008856600000000 ] - [ 0.0015661400000000, -0.0013867100000000, -0.0004556000000000 ] - [ 0.0097114900000000, 0.0016576900000000, -0.0179596900000000 ] - [ -0.0001127900000000, 0.0000877700000000, -0.0004942000000000 ] - [ 0.0003786400000000, 0.0051117600000000, 0.0037900400000000 ] - [ -0.0003869700000000, 0.0002864600000000, 0.0002530900000000 ] - [ -0.0022083800000000, -0.0004392800000000, 0.0016568000000000 ] - [ 0.0002071500000000, -0.0001077100000000, 0.0003724500000000 ] - [ 0.0018274200000000, 0.0013285200000000, -0.0013186000000000 ] - [ 0.0000152900000000, -0.0001186400000000, -0.0000139400000000 ] - [ -0.0278987900000000, 0.0240661400000000, 0.1219705800000000 ] - [ 0.0000406500000000, 0.0000261300000000, 0.0001092500000000 ] - [ -0.0001126500000000, -0.0039228300000000, -0.0102953000000000 ] - [ -0.0000260100000000, -0.0001789000000000, -0.0001736400000000 ] - [ 0.0037840800000000, 0.0108659400000000, -0.0232375100000000 ] - [ -0.0000640100000000, -0.0000387800000000, 0.0000082800000000 ] - [ -0.0018310900000000, -0.0203905100000000, -0.0098650900000000 ] - [ 0.0000475400000000, 0.0001574400000000, 0.0000933500000000 ] - [ 0.0015799600000000, 0.0049083200000000, 0.0007846800000000 ] - [ 0.0000312000000000, 0.0000675500000000, 0.0000246600000000 ] - [ -0.0017892900000000, 0.0078858800000000, -0.0040443000000000 ] - [ 0.0001430300000000, 0.0000274500000000, 0.0000630300000000 ] - [ 0.0058383300000000, 0.0123648200000000, -0.0072887400000000 ] - [ -0.0001402200000000, 0.0001182200000000, 0.0000160400000000 ] - [ 0.0000724300000000, -0.0000213000000000, -0.0000931800000000 ] - [ -0.0008787800000000, 0.0009851000000000, -0.0013573200000000 ] - [ -0.0001252500000000, 0.0001946000000000, 0.0000507800000000 ] - [ 0.0013106000000000, 0.0013182600000000, 0.0023230200000000 ] - [ 0.0000585000000000, -0.0000945000000000, 0.0001321400000000 ] - [ -0.0115371300000000, 0.0052109600000000, -0.0041955100000000 ] - [ -0.0000974600000000, 0.0000870300000000, 0.0002414300000000 ] - [ 0.0009847300000000, 0.0004345500000000, 0.0034259100000000 ] - [ 0.0000388400000000, 0.0001144800000000, 0.0000322900000000 ] - [ 0.0006440700000000, 0.0018033400000000, 0.0010553200000000 ] - [ 0.0003957300000000, -0.0000330700000000, -0.0003902100000000 ] - [ -0.0002291200000000, -0.0000397100000000, -0.0029523900000000 ] - [ 0.0002757000000000, 0.0000193200000000, 0.0002150000000000 ] - [ -0.0013929300000000, 0.0014347600000000, 0.0014320700000000 ] - [ -0.0013915600000000, 0.0006154600000000, -0.0000516800000000 ] - [ 0.0056111600000000, 0.0007449300000000, -0.0030559300000000 ] - [ 0.0008185700000000, 0.0003649100000000, 0.0003496700000000 ] - [ -0.0022668400000000, 0.0013191500000000, 0.0004480100000000 ] - [ -0.0001205900000000, 0.0004622300000000, -0.0007602500000000 ] - [ 0.0012675600000000, 0.0003515100000000, -0.0006793000000000 ] - [ -0.0001628500000000, -0.0000165300000000, 0.0005577200000000 ] - [ 0.0004440300000000, 0.0002422200000000, 0.0011293700000000 ] - [ 0.0003397600000000, -0.0002520200000000, -0.0000007400000000 ] - [ -0.0004700700000000, 0.0000725100000000, -0.0004669900000000 ] - [ 0.0005931900000000, 0.0002932300000000, -0.0019744000000000 ] - [ -0.0000300800000000, -0.0000709500000000, -0.0012674800000000 ] - [ -0.0007050000000000, -0.0009273900000000, -0.0004029600000000 ] - [ 0.0003038100000000, -0.0007826800000000, -0.0000540600000000 ] - [ 0.0004667500000000, 0.0000698600000000, -0.0000380900000000 ] - [ -0.0003236300000000, 0.0003374500000000, -0.0004033400000000 ] - [ -0.0016743600000000, -0.0001430200000000, -0.0020254400000000 ] - [ 0.0000214200000000, -0.0000434800000000, 0.0009851300000000 ] - [ 0.0009234600000000, 0.0000306100000000, 0.0003275000000000 ] - [ -0.0006070100000000, 0.0002218700000000, -0.0001838500000000 ] - [ -0.0095003100000000, -0.0025100700000000, -0.0053105400000000 ] - [ 0.0007366900000000, -0.0001060600000000, 0.0002246800000000 ] - [ 0.0012210400000000, -0.0003342500000000, -0.0010220500000000 ] - [ 0.0000790000000000, 0.0000272200000000, -0.0002686000000000 ] - [ -0.0000219100000000, -0.0009355800000000, -0.0015186900000000 ] - [ 0.0000291300000000, -0.0000642300000000, -0.0001996200000000 ] - [ -0.0015512700000000, -0.0019057400000000, 0.0016340800000000 ] - [ 0.0000668000000000, -0.0001133300000000, 0.0001780400000000 ] - [ 0.0206636300000000, 0.0019416700000000, -0.0076557000000000 ] - [ -0.0000830200000000, -0.0001260100000000, 0.0001615500000000 ] - [ 0.0013818900000000, 0.0009546800000000, -0.0023002800000000 ] - [ -0.0001049600000000, -0.0001306100000000, -0.0001690300000000 ] - [ -0.0024694300000000, 0.0023587200000000, 0.0059815800000000 ] - [ -0.0000320200000000, 0.0000520100000000, 0.0000208500000000 ]- atom: 49 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ -0.0019408600000000, -0.0010007200000000, -0.0012306900000000 ] - [ -0.0030098200000000, 0.0016167000000000, 0.0003418500000000 ] - [ -0.0013467900000000, -0.0003645200000000, 0.0016669700000000 ] - [ -0.0011981100000000, -0.0001880200000000, 0.0002638900000000 ] - [ 0.0012459000000000, -0.0001688600000000, -0.0004672900000000 ] - [ -0.0009361800000000, 0.0004357200000000, 0.0002109100000000 ] - [ 0.0038157600000000, 0.0000047900000000, -0.0009820300000000 ] - [ -0.0010241100000000, 0.0000766500000000, -0.0001505900000000 ] - [ 0.0068925500000000, -0.0006991100000000, 0.0020265300000000 ] - [ -0.0020123400000000, 0.0000059800000000, 0.0002551500000000 ] - [ 0.0268389400000000, 0.0152759900000000, 0.0191746500000000 ] - [ -0.0029746400000000, -0.0003845600000000, 0.0005712900000000 ] - [ -0.0017761100000000, 0.0002969400000000, -0.0000683800000000 ] - [ 0.0015867000000000, 0.0005544800000000, 0.0000573300000000 ] - [ -0.0013077700000000, 0.0002102800000000, 0.0005688500000000 ] - [ -0.0009707700000000, -0.0004212000000000, 0.0000704200000000 ] - [ 0.0000311100000000, -0.0021168100000000, 0.0025618500000000 ] - [ -0.0019344600000000, 0.0003809800000000, -0.0001925000000000 ] - [ 0.0006828200000000, 0.0018873400000000, -0.0023189700000000 ] - [ -0.0021012500000000, -0.0003337300000000, 0.0000535900000000 ] - [ 0.0083576600000000, 0.0017434300000000, -0.0007801700000000 ] - [ -0.0043723900000000, -0.0013343800000000, 0.0016724000000000 ] - [ 0.0079905800000000, -0.0045554600000000, 0.0049385100000000 ] - [ -0.0035939300000000, 0.0001046900000000, -0.0001291200000000 ] - [ 0.0266023100000000, 0.0031789800000000, 0.0124957300000000 ] - [ -0.0048768900000000, -0.0010586800000000, 0.0014695000000000 ] - [ -0.0040699100000000, 0.0020656300000000, 0.0009540800000000 ] - [ 0.0028706100000000, -0.0007948000000000, 0.0003677600000000 ] - [ -0.0034133200000000, -0.0006488300000000, 0.0010772600000000 ] - [ 0.0003436200000000, 0.0069524800000000, -0.0028235000000000 ] - [ -0.0040004500000000, 0.0010998300000000, 0.0013012500000000 ] - [ -0.0025476400000000, -0.0008796300000000, 0.0038039200000000 ] - [ -0.0064277800000000, 0.0129858000000000, -0.0007442200000000 ] - [ -0.0074752900000000, 0.0008311700000000, -0.0003609400000000 ] - [ -0.0003545300000000, 0.0016795800000000, -0.0022516400000000 ] - [ -0.0027258200000000, -0.0006193700000000, 0.0005299400000000 ] - [ -0.0005530200000000, -0.0001441500000000, -0.0005059400000000 ] - [ -0.0035484900000000, 0.0017211400000000, -0.0011795400000000 ] - [ 0.0100387900000000, 0.0104111500000000, 0.0114918500000000 ] - [ -0.0048537700000000, -0.0013369700000000, -0.0017731500000000 ] - [ 0.0452537200000000, 0.0070856800000000, -0.0036894300000000 ] - [ -0.0051443600000000, 0.0003988500000000, 0.0004513000000000 ] - [ 0.0120455200000000, -0.0050997200000000, -0.0102929800000000 ] - [ -0.0041797400000000, -0.0013823100000000, -0.0006329700000000 ] - [ -0.0118710600000000, -0.0073051500000000, -0.0010093400000000 ] - [ 0.0029443200000000, 0.0006255600000000, -0.0002308500000000 ] - [ -0.0074771400000000, 0.0011201700000000, -0.0000713400000000 ] - [ 0.0025275300000000, 0.0005752900000000, -0.0000653700000000 ] - [ -0.1474255400000000, -0.0284665000000000, -0.0245490400000000 ] - [ 0.0029173100000000, 0.0002268900000000, -0.0006798500000000 ] - [ -0.0055293700000000, 0.0063534300000000, -0.0055365000000000 ] - [ 0.0008254500000000, 0.0001227300000000, -0.0001349300000000 ] - [ -0.0018142300000000, 0.0013699600000000, -0.0005190100000000 ] - [ 0.0011826800000000, 0.0003966600000000, -0.0002942200000000 ] - [ -0.0043228600000000, -0.0019528300000000, 0.0005545300000000 ] - [ 0.0023920200000000, 0.0003789800000000, -0.0003949900000000 ] - [ -0.0021288900000000, 0.0014495200000000, -0.0083292000000000 ] - [ 0.0021321100000000, 0.0000267900000000, -0.0002412300000000 ] - [ -0.0039273700000000, 0.0002438300000000, 0.0011634300000000 ] - [ 0.0030152500000000, 0.0000342000000000, -0.0011974400000000 ] - [ 0.0032162300000000, -0.0000457300000000, -0.0003076200000000 ] - [ 0.0059373500000000, -0.0013733600000000, -0.0119393000000000 ] - [ 0.0019306700000000, 0.0000582600000000, -0.0007356300000000 ] - [ -0.0020824000000000, -0.0010388300000000, 0.0005658700000000 ] - [ 0.0020880700000000, -0.0004720100000000, -0.0002222700000000 ] - [ -0.0015567400000000, 0.0027366000000000, -0.0001597800000000 ] - [ 0.0013625900000000, 0.0002751600000000, -0.0009259000000000 ] - [ 0.0035496600000000, -0.0035850100000000, 0.0045717700000000 ] - [ 0.0011684300000000, -0.0000264900000000, -0.0008887800000000 ] - [ 0.0015228800000000, -0.0042149600000000, 0.0011131800000000 ] - [ 0.0015907900000000, -0.0004519600000000, 0.0002998700000000 ] - [ 0.0007628500000000, -0.0000730600000000, -0.0007843800000000 ] - [ 0.0011640200000000, -0.0001665300000000, -0.0002763800000000 ] - [ 0.0008043400000000, -0.0018642200000000, 0.0003567100000000 ] - [ 0.0047957100000000, -0.0027563700000000, -0.0009026700000000 ] - [ 0.0072695000000000, 0.0059597000000000, 0.0000728300000000 ] - [ 0.0023284800000000, 0.0000091600000000, 0.0001264800000000 ] - [ 0.0027449900000000, -0.0006170000000000, 0.0000985800000000 ] - [ 0.0016481200000000, -0.0021483800000000, 0.0005196300000000 ] - [ 0.0014809100000000, 0.0004338000000000, -0.0003389100000000 ] - [ 0.0014960800000000, 0.0005695600000000, -0.0008017200000000 ] - [ 0.0016132800000000, -0.0006473300000000, 0.0004233400000000 ] - [ 0.0000128800000000, -0.0000760800000000, 0.0008581900000000 ] - [ 0.0006796700000000, -0.0003426500000000, -0.0000137300000000 ] - [ 0.0001127000000000, -0.0021670800000000, 0.0027307000000000 ] - [ 0.0010451400000000, 0.0004507800000000, -0.0005264700000000 ] - [ 0.0220432000000000, -0.0109360100000000, 0.0017634400000000 ] - [ 0.0035050900000000, -0.0008411200000000, 0.0003166600000000 ] - [ -0.0003072100000000, 0.0005846400000000, 0.0016570200000000 ] - [ 0.0018390100000000, -0.0002200900000000, 0.0003472800000000 ] - [ -0.0004436600000000, -0.0017220000000000, -0.0028455700000000 ] - [ 0.0029923500000000, 0.0003084200000000, 0.0009853500000000 ] - [ -0.0020384700000000, 0.0008142700000000, 0.0009500500000000 ] - [ 0.0024664500000000, 0.0000425700000000, 0.0001681700000000 ] - [ 0.0055156800000000, -0.0135194000000000, -0.0054713200000000 ] - [ 0.0025501100000000, 0.0000154200000000, 0.0007119200000000 ] - [ -0.0016669900000000, 0.0009737900000000, 0.0010100300000000 ] - [ 0.0021135100000000, 0.0003959700000000, 0.0000085700000000 ] - [ 0.0028952300000000, 0.0159662500000000, 0.0065064900000000 ] - [ 0.0009451200000000, 0.0000500900000000, 0.0000136100000000 ] - [ 0.0038659400000000, -0.0042870800000000, -0.0155530300000000 ] - [ 0.0013807400000000, 0.0001574600000000, 0.0003233800000000 ] - [ -0.0060304300000000, -0.0012345500000000, -0.0036909800000000 ] - [ 0.0023950300000000, 0.0001818800000000, 0.0004513300000000 ] - [ 0.0068203100000000, 0.0036158800000000, 0.0245708100000000 ] - [ 0.0020700800000000, 0.0001960700000000, -0.0000957500000000 ] - [ -0.0058095300000000, -0.0023031000000000, -0.0012239600000000 ] - [ 0.0028459400000000, 0.0006627200000000, -0.0000844800000000 ]- atom: 49 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ 0.0016863700000000, 0.0013355300000000, 0.0012397100000000 ] - [ 0.0027390800000000, -0.0012948600000000, -0.0003400400000000 ] - [ 0.0015513000000000, 0.0006276800000000, -0.0014638600000000 ] - [ 0.0014011000000000, 0.0004503900000000, -0.0000432000000000 ] - [ -0.0014595500000000, 0.0004328000000000, 0.0002446200000000 ] - [ 0.0007493200000000, -0.0001802000000000, -0.0004402200000000 ] - [ -0.0035916200000000, 0.0003500700000000, 0.0010042800000000 ] - [ 0.0013087300000000, 0.0002418500000000, 0.0001630400000000 ] - [ -0.0067996500000000, 0.0007149200000000, -0.0020413700000000 ] - [ 0.0022122800000000, 0.0000174700000000, -0.0002599900000000 ] - [ -0.0263382400000000, -0.0144421600000000, -0.0179384900000000 ] - [ 0.0028199400000000, 0.0003346800000000, -0.0004776800000000 ] - [ 0.0019725000000000, -0.0003487500000000, -0.0000326700000000 ] - [ -0.0013860800000000, -0.0006167500000000, -0.0001617500000000 ] - [ 0.0011327000000000, -0.0001884000000000, -0.0005754100000000 ] - [ 0.0008050600000000, 0.0004487000000000, -0.0000761700000000 ] - [ -0.0000626600000000, 0.0021794800000000, -0.0025002400000000 ] - [ 0.0019222300000000, -0.0003516000000000, 0.0002913600000000 ] - [ -0.0006797900000000, -0.0018733900000000, 0.0022399000000000 ] - [ 0.0021496600000000, 0.0003692800000000, -0.0001490700000000 ] - [ -0.0081523800000000, -0.0016570600000000, 0.0007400200000000 ] - [ 0.0046794200000000, 0.0014231100000000, -0.0017104800000000 ] - [ -0.0080253600000000, 0.0044417300000000, -0.0051557400000000 ] - [ 0.0036517700000000, -0.0002978600000000, 0.0000241900000000 ] - [ -0.0273168200000000, -0.0033618800000000, -0.0126052200000000 ] - [ 0.0044064600000000, 0.0009249500000000, -0.0015646800000000 ] - [ 0.0046175000000000, -0.0022322300000000, -0.0008761600000000 ] - [ -0.0023391800000000, 0.0006430500000000, -0.0002843300000000 ] - [ 0.0034123700000000, 0.0004643400000000, -0.0009874600000000 ] - [ -0.0003485800000000, -0.0071587400000000, 0.0029287200000000 ] - [ 0.0037561800000000, -0.0010245500000000, -0.0012867400000000 ] - [ 0.0023745600000000, 0.0009474000000000, -0.0037980700000000 ] - [ 0.0064951700000000, -0.0132584300000000, 0.0009660200000000 ] - [ 0.0075525300000000, -0.0009391300000000, 0.0005837900000000 ] - [ 0.0004401100000000, -0.0017097100000000, 0.0020217200000000 ] - [ 0.0028597400000000, 0.0006116200000000, -0.0007866400000000 ] - [ 0.0008189700000000, 0.0002053400000000, 0.0003333400000000 ] - [ 0.0038689300000000, -0.0016812100000000, 0.0010234200000000 ] - [ -0.0104720800000000, -0.0104524800000000, -0.0114384100000000 ] - [ 0.0046168600000000, 0.0014028700000000, 0.0019529700000000 ] - [ -0.0501720700000000, -0.0076027900000000, 0.0045117900000000 ] - [ 0.0050782800000000, -0.0004048900000000, -0.0001932500000000 ] - [ -0.0123070300000000, 0.0050181200000000, 0.0102270800000000 ] - [ 0.0041791400000000, 0.0013020500000000, 0.0004284100000000 ] - [ 0.0121959700000000, 0.0073116100000000, 0.0011670900000000 ] - [ -0.0028042700000000, -0.0007933700000000, 0.0003178400000000 ] - [ 0.0076693100000000, -0.0011309800000000, -0.0000236400000000 ] - [ -0.0024278400000000, -0.0005369000000000, -0.0000180600000000 ] - [ 0.1521940700000000, 0.0279677200000000, 0.0227427100000000 ] - [ -0.0030764900000000, -0.0004491000000000, 0.0006525900000000 ] - [ 0.0054192800000000, -0.0065408700000000, 0.0059026600000000 ] - [ -0.0009556600000000, -0.0001422000000000, 0.0003025500000000 ] - [ 0.0019294300000000, -0.0010770900000000, 0.0005551500000000 ] - [ -0.0010887400000000, -0.0000734600000000, 0.0003165300000000 ] - [ 0.0044549200000000, 0.0019734900000000, -0.0006669700000000 ] - [ -0.0022892000000000, -0.0003920700000000, 0.0002939900000000 ] - [ 0.0022825900000000, -0.0013317600000000, 0.0086824900000000 ] - [ -0.0020239800000000, 0.0001000700000000, 0.0003869100000000 ] - [ 0.0039116200000000, -0.0002370900000000, -0.0013160400000000 ] - [ -0.0030586800000000, -0.0000184700000000, 0.0010574800000000 ] - [ -0.0032244700000000, 0.0000618700000000, 0.0004561000000000 ] - [ -0.0059191600000000, 0.0013710000000000, 0.0119835200000000 ] - [ -0.0020709700000000, 0.0000691800000000, 0.0005995100000000 ] - [ 0.0019596600000000, 0.0011700000000000, -0.0007053700000000 ] - [ -0.0022266600000000, 0.0004640900000000, 0.0003301200000000 ] - [ 0.0014124400000000, -0.0027544300000000, 0.0002717400000000 ] - [ -0.0014792200000000, 0.0000470400000000, 0.0009206700000000 ] - [ -0.0036693600000000, 0.0039212500000000, -0.0045595000000000 ] - [ -0.0010567300000000, 0.0000047400000000, 0.0007311700000000 ] - [ -0.0014059000000000, 0.0041956400000000, -0.0012834500000000 ] - [ -0.0014621400000000, 0.0002352900000000, -0.0002768500000000 ] - [ -0.0006454600000000, -0.0001442400000000, 0.0008104500000000 ] - [ -0.0012872700000000, 0.0002106200000000, 0.0003660900000000 ] - [ -0.0009481900000000, 0.0019187800000000, -0.0002639400000000 ] - [ -0.0050157700000000, 0.0026253100000000, 0.0008254100000000 ] - [ -0.0074651500000000, -0.0061032500000000, -0.0001534800000000 ] - [ -0.0022738200000000, 0.0000328700000000, 0.0000658600000000 ] - [ -0.0027117000000000, 0.0006678300000000, 0.0000958300000000 ] - [ -0.0016193500000000, 0.0020001300000000, -0.0007091700000000 ] - [ -0.0014523000000000, -0.0006038000000000, 0.0001575600000000 ] - [ -0.0016404400000000, -0.0006543200000000, 0.0008972000000000 ] - [ -0.0017651900000000, 0.0005736900000000, -0.0003431100000000 ] - [ -0.0001948300000000, 0.0000433300000000, -0.0008177200000000 ] - [ -0.0008751400000000, 0.0003130400000000, 0.0000610700000000 ] - [ -0.0000251600000000, 0.0022168400000000, -0.0027501200000000 ] - [ -0.0009729000000000, -0.0004249800000000, 0.0005438500000000 ] - [ -0.0225792100000000, 0.0108274700000000, -0.0016771600000000 ] - [ -0.0036263900000000, 0.0005585000000000, -0.0001918900000000 ] - [ 0.0000998100000000, -0.0006112100000000, -0.0016076300000000 ] - [ -0.0020800200000000, 0.0001980600000000, -0.0002862800000000 ] - [ 0.0005708200000000, 0.0018868700000000, 0.0030238900000000 ] - [ -0.0029124300000000, -0.0001647500000000, -0.0008473300000000 ] - [ 0.0019731200000000, -0.0006775300000000, -0.0010955200000000 ] - [ -0.0026013800000000, 0.0001020700000000, -0.0003091900000000 ] - [ -0.0052867600000000, 0.0137054600000000, 0.0054677100000000 ] - [ -0.0023419000000000, -0.0000362800000000, -0.0007856100000000 ] - [ 0.0018062100000000, -0.0012656200000000, -0.0011524600000000 ] - [ -0.0020307600000000, -0.0006848600000000, -0.0001371100000000 ] - [ -0.0029863800000000, -0.0162668800000000, -0.0066408800000000 ] - [ -0.0010323000000000, -0.0000341800000000, -0.0000410000000000 ] - [ -0.0036600500000000, 0.0043088900000000, 0.0157831800000000 ] - [ -0.0012056000000000, -0.0001942800000000, -0.0003709300000000 ] - [ 0.0062490400000000, 0.0011705800000000, 0.0036633600000000 ] - [ -0.0022794600000000, -0.0002607900000000, -0.0005318200000000 ] - [ -0.0069174000000000, -0.0038291100000000, -0.0248217600000000 ] - [ -0.0021282800000000, -0.0003750800000000, 0.0002717600000000 ] - [ 0.0058049700000000, 0.0023670100000000, 0.0010502000000000 ] - [ -0.0029399700000000, -0.0006217300000000, -0.0001072700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004953400000000, 0.0000912000000000, -0.0000951100000000 ] - [ 0.0005354300000000, 0.0002278400000000, 0.0000709600000000 ] - [ 0.0000534000000000, 0.0002998600000000, 0.0002649800000000 ] - [ 0.0001132700000000, 0.0002498400000000, -0.0000055000000000 ] - [ 0.0001601100000000, -0.0003312900000000, -0.0004214400000000 ] - [ -0.0001613800000000, 0.0001138400000000, -0.0000908300000000 ] - [ 0.0016577300000000, -0.0027911600000000, 0.0011464700000000 ] - [ 0.0000110100000000, 0.0001244800000000, 0.0000262400000000 ] - [ 0.0000045200000000, 0.0003126100000000, 0.0004286800000000 ] - [ -0.0000668200000000, 0.0000567400000000, -0.0000331100000000 ] - [ 0.0181324500000000, 0.0205799000000000, 0.0188687100000000 ] - [ -0.0003036600000000, 0.0001252200000000, 0.0000537700000000 ] - [ -0.0001615100000000, -0.0000648300000000, -0.0000344600000000 ] - [ 0.0009669800000000, -0.0013502300000000, -0.0006304000000000 ] - [ 0.0000332600000000, -0.0002759400000000, -0.0002201400000000 ] - [ -0.0003470900000000, -0.0002343100000000, -0.0001997000000000 ] - [ -0.0003045800000000, -0.0012497700000000, 0.0008687900000000 ] - [ -0.0000420600000000, -0.0001388400000000, -0.0000743400000000 ] - [ 0.0003110400000000, 0.0010323700000000, -0.0004654700000000 ] - [ -0.0000682500000000, 0.0001945000000000, 0.0000581100000000 ] - [ -0.0001256800000000, -0.0056113200000000, -0.0003452900000000 ] - [ -0.0002821500000000, -0.0002472200000000, 0.0000400600000000 ] - [ -0.0001844500000000, 0.0008727800000000, 0.0019003800000000 ] - [ -0.0003498900000000, -0.0000376200000000, -0.0001159000000000 ] - [ 0.0012549800000000, 0.0157443900000000, 0.0035335600000000 ] - [ -0.0008038900000000, -0.0000560300000000, 0.0002180800000000 ] - [ -0.0000634300000000, -0.0005536400000000, 0.0003237900000000 ] - [ -0.0000809300000000, -0.0048320800000000, 0.0002694300000000 ] - [ -0.0006373400000000, -0.0002613900000000, -0.0000151600000000 ] - [ 0.0015731800000000, -0.0004722300000000, 0.0015767000000000 ] - [ -0.0007090900000000, 0.0004846500000000, 0.0000749300000000 ] - [ 0.0005642700000000, 0.0012353500000000, -0.0013551300000000 ] - [ 0.0038009700000000, 0.0020481900000000, 0.0011679000000000 ] - [ -0.0032237100000000, 0.0007858800000000, 0.0003884100000000 ] - [ -0.0008104700000000, -0.0013588700000000, 0.0001543800000000 ] - [ -0.0002490400000000, -0.0006762100000000, 0.0003262000000000 ] - [ -0.0009322700000000, 0.0000056200000000, -0.0008823700000000 ] - [ 0.0003809500000000, -0.0002979500000000, 0.0000831700000000 ] - [ 0.0036570400000000, 0.0014241300000000, -0.0034237200000000 ] - [ -0.0008097300000000, -0.0000993400000000, -0.0003571700000000 ] - [ 0.0014679000000000, 0.0170500300000000, 0.0017393900000000 ] - [ -0.0006862600000000, 0.0002962600000000, 0.0002339300000000 ] - [ -0.0034448700000000, -0.0021690500000000, -0.0031738700000000 ] - [ -0.0002587100000000, -0.0002015000000000, 0.0000243800000000 ] - [ 0.0021935400000000, 0.0035793900000000, 0.0056995500000000 ] - [ 0.0003358700000000, -0.0000438500000000, -0.0000087300000000 ] - [ -0.0017896500000000, 0.0037864500000000, 0.0037570200000000 ] - [ 0.0003328100000000, 0.0001034000000000, 0.0000278500000000 ] - [ -0.0287002700000000, -0.0620725100000000, -0.0309066400000000 ] - [ 0.0002719600000000, -0.0001294900000000, -0.0001621800000000 ] - [ -0.0005435400000000, 0.0036851500000000, -0.0127804200000000 ] - [ 0.0000318500000000, -0.0000462600000000, 0.0000558100000000 ] - [ 0.0000814500000000, 0.0019654600000000, 0.0004157600000000 ] - [ 0.0001697800000000, 0.0002218500000000, 0.0000166100000000 ] - [ -0.0004867600000000, 0.0031825400000000, -0.0010235500000000 ] - [ 0.0003501400000000, 0.0001339900000000, -0.0000501000000000 ] - [ 0.0001002400000000, -0.0005860900000000, 0.0031120300000000 ] - [ 0.0003189600000000, -0.0000063600000000, 0.0000431700000000 ] - [ 0.0002736100000000, 0.0019418900000000, 0.0002228300000000 ] - [ 0.0002117500000000, 0.0001044800000000, -0.0001400200000000 ] - [ 0.0004501300000000, -0.0000625300000000, 0.0000375800000000 ] - [ -0.0023764900000000, -0.0015382500000000, 0.0018505400000000 ] - [ 0.0000943900000000, 0.0002579300000000, -0.0000762600000000 ] - [ 0.0000073100000000, 0.0009782700000000, 0.0000120100000000 ] - [ 0.0000875600000000, -0.0002013700000000, 0.0001158000000000 ] - [ 0.0008784400000000, -0.0011383800000000, 0.0002287300000000 ] - [ 0.0001092600000000, 0.0000608400000000, -0.0000500400000000 ] - [ -0.0002394300000000, -0.0013249700000000, 0.0003440400000000 ] - [ 0.0002494700000000, 0.0002250100000000, -0.0001062100000000 ] - [ -0.0011731200000000, 0.0024731300000000, -0.0006439400000000 ] - [ 0.0004110200000000, -0.0000067300000000, -0.0002038900000000 ] - [ 0.0000359000000000, 0.0004591000000000, -0.0003006600000000 ] - [ 0.0003962400000000, -0.0000746000000000, 0.0001248100000000 ] - [ -0.0004337200000000, -0.0000564900000000, 0.0001145800000000 ] - [ -0.0006590900000000, 0.0002156100000000, 0.0000965400000000 ] - [ 0.0051922000000000, 0.0034060900000000, -0.0001450100000000 ] - [ 0.0004442300000000, -0.0003520900000000, 0.0002940500000000 ] - [ -0.0002640300000000, -0.0000375400000000, 0.0001620400000000 ] - [ -0.0000407900000000, 0.0005369000000000, -0.0004250200000000 ] - [ 0.0004209300000000, 0.0006979600000000, -0.0002466900000000 ] - [ 0.0003736300000000, 0.0000562700000000, 0.0001249800000000 ] - [ -0.0003219800000000, 0.0000331800000000, -0.0000472400000000 ] - [ -0.0000017600000000, 0.0004642600000000, 0.0002625300000000 ] - [ -0.0000335500000000, 0.0002317800000000, -0.0001132100000000 ] - [ -0.0000898600000000, 0.0003501200000000, -0.0004707400000000 ] - [ 0.0002218200000000, 0.0002538800000000, -0.0004876600000000 ] - [ 0.0044082700000000, -0.0021745600000000, 0.0002908100000000 ] - [ 0.0003660800000000, -0.0008937200000000, 0.0000655500000000 ] - [ 0.0010738500000000, 0.0005217100000000, 0.0007506400000000 ] - [ -0.0001380400000000, 0.0002539900000000, -0.0000611700000000 ] - [ -0.0015942900000000, -0.0001944600000000, 0.0003602400000000 ] - [ 0.0005910500000000, 0.0000439900000000, 0.0004905500000000 ] - [ 0.0008870200000000, 0.0001155100000000, 0.0011094800000000 ] - [ -0.0000572800000000, 0.0001049700000000, -0.0001290800000000 ] - [ -0.0117964100000000, 0.0043344700000000, 0.0023376100000000 ] - [ 0.0007272800000000, -0.0000920100000000, 0.0001556600000000 ] - [ 0.0004020800000000, 0.0017531200000000, 0.0000470400000000 ] - [ 0.0002693000000000, 0.0000427500000000, -0.0001213700000000 ] - [ 0.0062528100000000, 0.0034269300000000, 0.0018522000000000 ] - [ 0.0000355200000000, -0.0000795300000000, -0.0000657300000000 ] - [ 0.0005416200000000, -0.0039386100000000, -0.0017315400000000 ] - [ 0.0002089500000000, -0.0001169800000000, 0.0000851900000000 ] - [ -0.0011905000000000, -0.0005577200000000, 0.0006828800000000 ] - [ 0.0003096000000000, -0.0000500100000000, 0.0001000400000000 ] - [ 0.0029146600000000, -0.0053820800000000, 0.0033973600000000 ] - [ 0.0001746900000000, -0.0001176300000000, -0.0000269800000000 ] - [ -0.0005933500000000, 0.0010443400000000, -0.0001654900000000 ] - [ 0.0002407300000000, 0.0001832600000000, -0.0000567900000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002188200000000, 0.0002218800000000, 0.0000845800000000 ] - [ -0.0008095800000000, 0.0000860800000000, -0.0000734400000000 ] - [ 0.0001356700000000, -0.0000421900000000, -0.0000367800000000 ] - [ 0.0000826200000000, 0.0000100200000000, 0.0002286300000000 ] - [ -0.0003532700000000, 0.0005902300000000, 0.0001953100000000 ] - [ -0.0000338900000000, 0.0001450000000000, -0.0001349900000000 ] - [ -0.0013619500000000, 0.0030860400000000, -0.0011176200000000 ] - [ 0.0002630600000000, 0.0001942800000000, -0.0000157800000000 ] - [ 0.0001748200000000, -0.0003132100000000, -0.0004395400000000 ] - [ 0.0002475800000000, -0.0000345300000000, 0.0000305200000000 ] - [ -0.0177461100000000, -0.0204772300000000, -0.0181829500000000 ] - [ 0.0001183600000000, -0.0001756500000000, 0.0000449400000000 ] - [ 0.0003420700000000, 0.0000158600000000, -0.0000641700000000 ] - [ -0.0007887200000000, 0.0012951800000000, 0.0005335400000000 ] - [ -0.0002145300000000, 0.0002997900000000, 0.0002203700000000 ] - [ 0.0001636700000000, 0.0002605000000000, 0.0001961100000000 ] - [ 0.0002818800000000, 0.0012825100000000, -0.0007758200000000 ] - [ 0.0000112400000000, 0.0001709100000000, 0.0001705900000000 ] - [ -0.0002867900000000, -0.0009875200000000, 0.0003632700000000 ] - [ 0.0000969900000000, -0.0001591100000000, -0.0001527500000000 ] - [ 0.0003998200000000, 0.0056780600000000, 0.0003023700000000 ] - [ 0.0005479500000000, 0.0003240800000000, -0.0000636300000000 ] - [ 0.0002121600000000, -0.0010056500000000, -0.0020118000000000 ] - [ 0.0003767700000000, -0.0001512900000000, 0.0000097200000000 ] - [ -0.0018192200000000, -0.0157385300000000, -0.0028883900000000 ] - [ 0.0002899700000000, -0.0000874200000000, -0.0003001700000000 ] - [ 0.0005723100000000, 0.0004087500000000, -0.0002433100000000 ] - [ 0.0005745200000000, 0.0046758900000000, -0.0001798100000000 ] - [ 0.0006056300000000, 0.0000672300000000, 0.0001216000000000 ] - [ -0.0016190500000000, 0.0002599300000000, -0.0014945700000000 ] - [ 0.0004348400000000, -0.0004015300000000, -0.0000480800000000 ] - [ -0.0007883900000000, -0.0011544000000000, 0.0013580300000000 ] - [ -0.0037484200000000, -0.0020865400000000, -0.0009557900000000 ] - [ 0.0032415500000000, -0.0008685700000000, -0.0001730100000000 ] - [ 0.0009155500000000, 0.0013563000000000, -0.0004125600000000 ] - [ 0.0003422100000000, 0.0006654800000000, -0.0005764200000000 ] - [ 0.0012114900000000, 0.0000447100000000, 0.0007185300000000 ] - [ -0.0000990600000000, 0.0003448700000000, -0.0002513300000000 ] - [ -0.0039100300000000, -0.0013232700000000, 0.0035727500000000 ] - [ 0.0005287400000000, 0.0001555500000000, 0.0005214000000000 ] - [ -0.0011697000000000, -0.0169051100000000, -0.0014819400000000 ] - [ 0.0005806400000000, -0.0002995200000000, 0.0000265900000000 ] - [ 0.0034248500000000, 0.0020378200000000, 0.0029811100000000 ] - [ 0.0002210500000000, 0.0001052600000000, -0.0002356300000000 ] - [ -0.0020504600000000, -0.0037819600000000, -0.0057277900000000 ] - [ -0.0001699500000000, -0.0001166800000000, 0.0000942000000000 ] - [ 0.0018984800000000, -0.0037293300000000, -0.0037864000000000 ] - [ -0.0002097600000000, -0.0000606300000000, -0.0001120100000000 ] - [ 0.0277313200000000, 0.0614141700000000, 0.0295915000000000 ] - [ -0.0004029900000000, -0.0000901800000000, 0.0001317500000000 ] - [ 0.0004197200000000, -0.0036779900000000, 0.0127766800000000 ] - [ -0.0001525600000000, 0.0000284500000000, 0.0001096200000000 ] - [ 0.0000242500000000, -0.0016487600000000, -0.0003860900000000 ] - [ -0.0000644700000000, 0.0001018900000000, 0.0000026800000000 ] - [ 0.0006104800000000, -0.0031987200000000, 0.0009397500000000 ] - [ -0.0002273800000000, -0.0001456200000000, -0.0000553700000000 ] - [ 0.0000141500000000, 0.0006821800000000, -0.0028504000000000 ] - [ -0.0001908900000000, 0.0001331800000000, 0.0000990600000000 ] - [ -0.0002896300000000, -0.0019100400000000, -0.0003659500000000 ] - [ -0.0002292800000000, -0.0000871200000000, -0.0000092100000000 ] - [ -0.0004239100000000, 0.0000807200000000, 0.0001101700000000 ] - [ 0.0023560000000000, 0.0015675900000000, -0.0016733400000000 ] - [ -0.0002185800000000, -0.0001303600000000, -0.0000667200000000 ] - [ -0.0001277500000000, -0.0008489600000000, -0.0001493600000000 ] - [ -0.0002083800000000, 0.0001845800000000, -0.0000087300000000 ] - [ -0.0009994300000000, 0.0011055300000000, -0.0001206400000000 ] - [ -0.0002121800000000, 0.0002670900000000, 0.0000320700000000 ] - [ 0.0001257500000000, 0.0016669900000000, -0.0003499100000000 ] - [ -0.0001271300000000, -0.0002432600000000, -0.0000624800000000 ] - [ 0.0013123000000000, -0.0024953400000000, 0.0004832700000000 ] - [ -0.0002771400000000, -0.0002137300000000, 0.0002343100000000 ] - [ 0.0001064000000000, -0.0006777700000000, 0.0003184600000000 ] - [ -0.0005159100000000, 0.0001209000000000, -0.0000393700000000 ] - [ 0.0003136000000000, 0.0001114000000000, -0.0000232600000000 ] - [ 0.0004839700000000, -0.0003789300000000, -0.0001796000000000 ] - [ -0.0053160000000000, -0.0035552400000000, 0.0000622200000000 ] - [ -0.0003747500000000, 0.0003996800000000, -0.0001012300000000 ] - [ 0.0003159600000000, 0.0000863800000000, 0.0000339900000000 ] - [ 0.0000782300000000, -0.0007148300000000, 0.0002459200000000 ] - [ -0.0003705300000000, -0.0008676500000000, 0.0000644200000000 ] - [ -0.0005068700000000, -0.0001326000000000, -0.0000459900000000 ] - [ 0.0001914300000000, -0.0001100600000000, 0.0001316200000000 ] - [ -0.0001860200000000, -0.0004987100000000, -0.0002151300000000 ] - [ -0.0001535900000000, -0.0002634400000000, 0.0001600400000000 ] - [ 0.0001684900000000, -0.0003333400000000, 0.0004894300000000 ] - [ -0.0001402900000000, -0.0002305800000000, 0.0005013200000000 ] - [ -0.0044326700000000, 0.0018157200000000, -0.0001609600000000 ] - [ -0.0004681200000000, 0.0005981900000000, 0.0000598500000000 ] - [ -0.0013020300000000, -0.0005401300000000, -0.0006884100000000 ] - [ -0.0000849200000000, -0.0002720200000000, 0.0001253100000000 ] - [ 0.0016891800000000, 0.0003324400000000, -0.0002144800000000 ] - [ -0.0004827500000000, 0.0001011200000000, -0.0003439900000000 ] - [ -0.0009983700000000, 0.0000385600000000, -0.0012533000000000 ] - [ -0.0000524900000000, 0.0000426300000000, -0.0000100800000000 ] - [ 0.0118604100000000, -0.0043111800000000, -0.0023804700000000 ] - [ -0.0004953700000000, 0.0000711400000000, -0.0002217800000000 ] - [ -0.0002991700000000, -0.0020340300000000, -0.0001734900000000 ] - [ -0.0001632400000000, -0.0003234600000000, -0.0000051300000000 ] - [ -0.0064583100000000, -0.0034673400000000, -0.0018999000000000 ] - [ -0.0001132100000000, 0.0000976900000000, 0.0000402200000000 ] - [ -0.0003083700000000, 0.0038907400000000, 0.0016472300000000 ] - [ -0.0000205600000000, 0.0000797500000000, -0.0001302500000000 ] - [ 0.0013200200000000, 0.0004690900000000, -0.0007525600000000 ] - [ -0.0001730700000000, -0.0000294600000000, -0.0001763500000000 ] - [ -0.0028827400000000, 0.0052572500000000, -0.0031547300000000 ] - [ -0.0002160200000000, -0.0000574900000000, 0.0002021400000000 ] - [ 0.0005153900000000, -0.0010031400000000, -0.0000258200000000 ] - [ -0.0003064200000000, -0.0001359000000000, -0.0001362400000000 ]- atom: 49 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ 0.0002066500000000, 0.0006587100000000, 0.0008357800000000 ] - [ 0.0010202600000000, -0.0009359400000000, 0.0020219800000000 ] - [ 0.0017226100000000, 0.0007070400000000, -0.0006228700000000 ] - [ -0.0002077200000000, 0.0001722100000000, -0.0002838900000000 ] - [ -0.0006895200000000, 0.0000316300000000, -0.0007404400000000 ] - [ 0.0001578000000000, -0.0000054400000000, -0.0002467900000000 ] - [ -0.0011727800000000, 0.0000412100000000, 0.0030541700000000 ] - [ 0.0004141500000000, 0.0001408700000000, 0.0001275500000000 ] - [ -0.0022715000000000, 0.0006154200000000, -0.0088306100000000 ] - [ 0.0007185400000000, 0.0000412100000000, -0.0002456000000000 ] - [ 0.0175755100000000, 0.0160862000000000, 0.0238592300000000 ] - [ 0.0009082800000000, 0.0001912800000000, -0.0002104700000000 ] - [ 0.0004089300000000, -0.0001641600000000, -0.0000532700000000 ] - [ 0.0019509400000000, -0.0020918300000000, -0.0011267600000000 ] - [ 0.0004740100000000, -0.0003836000000000, -0.0007950000000000 ] - [ 0.0004397200000000, 0.0006843900000000, -0.0013712500000000 ] - [ 0.0006573800000000, 0.0006442400000000, -0.0005003700000000 ] - [ 0.0001559800000000, -0.0001294400000000, 0.0000249700000000 ] - [ -0.0025897700000000, 0.0016603700000000, -0.0012286400000000 ] - [ 0.0013486000000000, 0.0005959500000000, 0.0002147900000000 ] - [ -0.0022144400000000, -0.0008385000000000, -0.0023712800000000 ] - [ 0.0012755400000000, 0.0002550500000000, -0.0006191000000000 ] - [ -0.0041099800000000, 0.0100577300000000, -0.0164642800000000 ] - [ 0.0009049600000000, -0.0000844800000000, -0.0001360200000000 ] - [ -0.0095562500000000, 0.0072916700000000, 0.1041176100000000 ] - [ 0.0008455200000000, 0.0003195200000000, -0.0001612400000000 ] - [ 0.0014604800000000, -0.0013428400000000, 0.0004318100000000 ] - [ -0.0005429000000000, -0.0008138800000000, 0.0024941100000000 ] - [ 0.0008841500000000, 0.0000422600000000, -0.0006208800000000 ] - [ -0.0044836500000000, 0.0025591600000000, -0.0034379500000000 ] - [ 0.0001821500000000, 0.0002054800000000, -0.0005957300000000 ] - [ 0.0090259500000000, -0.0011179800000000, -0.0161823500000000 ] - [ 0.0041575800000000, -0.0055025100000000, 0.0027902100000000 ] - [ -0.0015063600000000, 0.0006423200000000, 0.0014007600000000 ] - [ -0.0020961100000000, -0.0017640100000000, 0.0015800700000000 ] - [ 0.0008768000000000, -0.0003054200000000, 0.0009710100000000 ] - [ -0.0017018500000000, 0.0000768100000000, -0.0021884000000000 ] - [ 0.0024518700000000, -0.0021015700000000, -0.0010922600000000 ] - [ 0.0010031800000000, -0.0092681000000000, -0.0088932000000000 ] - [ 0.0007669900000000, 0.0004149200000000, -0.0000001500000000 ] - [ 0.0262996800000000, 0.0041773200000000, 0.0248771900000000 ] - [ 0.0007913600000000, 0.0002074000000000, 0.0002932400000000 ] - [ -0.0130546400000000, -0.0062452200000000, 0.0080587700000000 ] - [ 0.0013732900000000, 0.0002924900000000, 0.0005046500000000 ] - [ 0.0092335100000000, 0.0158765000000000, 0.0027507600000000 ] - [ -0.0006989500000000, -0.0003298500000000, 0.0000628000000000 ] - [ 0.0006042000000000, 0.0058178000000000, 0.0102451400000000 ] - [ -0.0005173300000000, -0.0000925400000000, 0.0001094800000000 ] - [ -0.0239194000000000, -0.0303906900000000, -0.2044880600000000 ] - [ -0.0007450100000000, -0.0002579000000000, -0.0000547300000000 ] - [ 0.0019896000000000, -0.0186861700000000, 0.0140069600000000 ] - [ -0.0002802400000000, -0.0000790200000000, 0.0001073200000000 ] - [ 0.0007095100000000, -0.0025489100000000, 0.0044007500000000 ] - [ -0.0002151400000000, 0.0001315200000000, 0.0001928200000000 ] - [ 0.0019281000000000, -0.0032139900000000, 0.0031410600000000 ] - [ -0.0005363400000000, -0.0000212300000000, 0.0001292100000000 ] - [ -0.0003407900000000, -0.0025491500000000, 0.0224466600000000 ] - [ -0.0003549200000000, -0.0000009800000000, 0.0001802300000000 ] - [ 0.0008959300000000, 0.0004250000000000, -0.0013832300000000 ] - [ -0.0008352200000000, 0.0000929300000000, 0.0002186800000000 ] - [ -0.0006453900000000, -0.0000566200000000, 0.0000351500000000 ] - [ -0.0181088000000000, 0.0014222100000000, 0.0115238000000000 ] - [ -0.0006599300000000, 0.0002273400000000, 0.0001734600000000 ] - [ 0.0010100800000000, -0.0001498500000000, 0.0004748300000000 ] - [ -0.0005904700000000, -0.0000618800000000, 0.0002843800000000 ] - [ -0.0012990300000000, -0.0026392200000000, 0.0022517100000000 ] - [ -0.0005495100000000, -0.0000439700000000, 0.0006056400000000 ] - [ 0.0049948100000000, -0.0009275200000000, 0.0104651100000000 ] - [ -0.0002612400000000, 0.0000529200000000, 0.0001866700000000 ] - [ 0.0010376000000000, -0.0008220500000000, -0.0007635400000000 ] - [ 0.0003478600000000, 0.0001086000000000, -0.0006958200000000 ] - [ -0.0007301000000000, 0.0001966000000000, -0.0017168900000000 ] - [ 0.0002090700000000, -0.0000304400000000, 0.0004563800000000 ] - [ -0.0016333300000000, 0.0021313200000000, 0.0029963300000000 ] - [ -0.0024654500000000, 0.0014452800000000, 0.0002158000000000 ] - [ 0.0032149700000000, 0.0019885900000000, -0.0017289400000000 ] - [ 0.0002904300000000, -0.0002615500000000, 0.0011979900000000 ] - [ -0.0033565400000000, 0.0013238800000000, 0.0016082100000000 ] - [ -0.0006095400000000, 0.0011605500000000, -0.0012794500000000 ] - [ 0.0004840300000000, 0.0001146200000000, -0.0007341200000000 ] - [ -0.0006667800000000, -0.0004319300000000, 0.0012905800000000 ] - [ 0.0005270700000000, 0.0000766800000000, 0.0014530200000000 ] - [ 0.0002155500000000, 0.0004498100000000, 0.0001798400000000 ] - [ -0.0004879000000000, 0.0002932600000000, -0.0001289100000000 ] - [ 0.0006579000000000, 0.0009064000000000, -0.0023332900000000 ] - [ -0.0003552700000000, -0.0002832000000000, -0.0009851400000000 ] - [ -0.0086429800000000, 0.0034746800000000, -0.0000499400000000 ] - [ -0.0004524400000000, -0.0005475600000000, -0.0005228100000000 ] - [ 0.0018490900000000, 0.0007174000000000, -0.0002522600000000 ] - [ -0.0010789700000000, 0.0005910200000000, -0.0002217600000000 ] - [ -0.0017507700000000, 0.0014760700000000, 0.0009898200000000 ] - [ -0.0003610100000000, 0.0000126500000000, 0.0004617900000000 ] - [ 0.0024716300000000, 0.0006430100000000, 0.0018945400000000 ] - [ -0.0011888700000000, 0.0002647600000000, -0.0001341600000000 ] - [ -0.0052825300000000, 0.0060759800000000, -0.0002907400000000 ] - [ 0.0000476400000000, -0.0000907700000000, -0.0000511800000000 ] - [ 0.0027274100000000, 0.0017569200000000, -0.0007302600000000 ] - [ -0.0005399000000000, -0.0001272500000000, -0.0002559900000000 ] - [ -0.0025454300000000, -0.0076876000000000, -0.0084923100000000 ] - [ -0.0002008000000000, -0.0001084400000000, -0.0002729500000000 ] - [ -0.0126168200000000, 0.0038001300000000, 0.0104869300000000 ] - [ -0.0002063700000000, -0.0001686400000000, 0.0000536300000000 ] - [ 0.0039550800000000, -0.0003365300000000, 0.0056585300000000 ] - [ -0.0006081500000000, -0.0001922500000000, 0.0000789300000000 ] - [ 0.0230751900000000, 0.0029079400000000, 0.0052909000000000 ] - [ -0.0006476400000000, -0.0002187100000000, -0.0001669400000000 ] - [ 0.0009273200000000, 0.0017623900000000, 0.0007911800000000 ] - [ -0.0006797000000000, -0.0000863200000000, -0.0000027300000000 ]- atom: 49 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ -0.0004959000000000, -0.0003462800000000, -0.0008526600000000 ] - [ -0.0013045300000000, 0.0012718900000000, -0.0020540200000000 ] - [ -0.0015281300000000, -0.0004501100000000, 0.0008683800000000 ] - [ 0.0003987700000000, 0.0000819600000000, 0.0005196100000000 ] - [ 0.0005055000000000, 0.0002244300000000, 0.0005145000000000 ] - [ -0.0003602100000000, 0.0002668000000000, 0.0000225100000000 ] - [ 0.0014627300000000, 0.0003178100000000, -0.0030890800000000 ] - [ -0.0001425700000000, 0.0001837800000000, -0.0001243500000000 ] - [ 0.0025168200000000, -0.0005537000000000, 0.0088414200000000 ] - [ -0.0005568700000000, -0.0000204900000000, 0.0002459100000000 ] - [ -0.0165596500000000, -0.0151836900000000, -0.0228825600000000 ] - [ -0.0011110700000000, -0.0002472400000000, 0.0003149500000000 ] - [ -0.0002371400000000, 0.0001175100000000, -0.0000473000000000 ] - [ -0.0017777700000000, 0.0020603400000000, 0.0010271900000000 ] - [ -0.0006557800000000, 0.0004090300000000, 0.0008035600000000 ] - [ -0.0006334000000000, -0.0006710700000000, 0.0013922000000000 ] - [ -0.0006861500000000, -0.0006314700000000, 0.0006308900000000 ] - [ -0.0001914900000000, 0.0001673300000000, 0.0000800900000000 ] - [ 0.0026379300000000, -0.0016269700000000, 0.0011078400000000 ] - [ -0.0013489700000000, -0.0005746400000000, -0.0003210700000000 ] - [ 0.0025179400000000, 0.0009286200000000, 0.0023873500000000 ] - [ -0.0010356400000000, -0.0001780200000000, 0.0005971300000000 ] - [ 0.0042084800000000, -0.0103585000000000, 0.0164812600000000 ] - [ -0.0008946800000000, -0.0000944800000000, 0.0000527200000000 ] - [ 0.0103281900000000, -0.0080200600000000, -0.1122179100000000 ] - [ -0.0013656600000000, -0.0004681100000000, 0.0000873300000000 ] - [ -0.0009996100000000, 0.0012222200000000, -0.0003541700000000 ] - [ 0.0010409600000000, 0.0007004900000000, -0.0024345200000000 ] - [ -0.0009330500000000, -0.0002261400000000, 0.0007223200000000 ] - [ 0.0044578300000000, -0.0027006000000000, 0.0035903000000000 ] - [ -0.0004600900000000, -0.0001182200000000, 0.0006403400000000 ] - [ -0.0094133900000000, 0.0012071900000000, 0.0163810200000000 ] - [ -0.0042028500000000, 0.0055084200000000, -0.0025919100000000 ] - [ 0.0015639300000000, -0.0007699900000000, -0.0012084200000000 ] - [ 0.0022148800000000, 0.0017793700000000, -0.0018720200000000 ] - [ -0.0007861000000000, 0.0003058000000000, -0.0012531500000000 ] - [ 0.0019990100000000, -0.0000182500000000, 0.0020300200000000 ] - [ -0.0022169000000000, 0.0021974100000000, 0.0009265100000000 ] - [ -0.0012104200000000, 0.0093269400000000, 0.0092209300000000 ] - [ -0.0010711100000000, -0.0003688600000000, 0.0001662000000000 ] - [ -0.0266609600000000, -0.0041853500000000, -0.0245842200000000 ] - [ -0.0009175300000000, -0.0002171000000000, -0.0000291000000000 ] - [ 0.0131762600000000, 0.0061166500000000, -0.0084139500000000 ] - [ -0.0014326700000000, -0.0004177200000000, -0.0007237400000000 ] - [ -0.0092313700000000, -0.0162701300000000, -0.0026406100000000 ] - [ 0.0008598400000000, 0.0001888500000000, 0.0000316600000000 ] - [ -0.0005361000000000, -0.0057228100000000, -0.0103529300000000 ] - [ 0.0006313700000000, 0.0001524900000000, -0.0001836600000000 ] - [ 0.0214367500000000, 0.0297464900000000, 0.2118385400000000 ] - [ 0.0006124500000000, 0.0000312000000000, 0.0000089300000000 ] - [ -0.0021473900000000, 0.0189332500000000, -0.0139124100000000 ] - [ 0.0001736300000000, 0.0000464100000000, 0.0000349600000000 ] - [ -0.0006132600000000, 0.0028917700000000, -0.0044254600000000 ] - [ 0.0003293800000000, 0.0001726400000000, -0.0001861200000000 ] - [ -0.0018119700000000, 0.0031578300000000, -0.0032682800000000 ] - [ 0.0006791400000000, -0.0000067600000000, -0.0002456100000000 ] - [ 0.0004689400000000, 0.0027330000000000, -0.0226533900000000 ] - [ 0.0004985300000000, 0.0001349300000000, -0.0000319200000000 ] - [ -0.0009068800000000, -0.0004072200000000, 0.0012353600000000 ] - [ 0.0008576100000000, -0.0000668900000000, -0.0003613300000000 ] - [ 0.0006655400000000, 0.0000847000000000, 0.0001010500000000 ] - [ 0.0184444100000000, -0.0014205600000000, -0.0114635000000000 ] - [ 0.0005380600000000, -0.0000956400000000, -0.0003291200000000 ] - [ -0.0011477300000000, 0.0002767500000000, -0.0006386000000000 ] - [ 0.0004717300000000, 0.0000306000000000, -0.0001721200000000 ] - [ 0.0011743300000000, 0.0026586000000000, -0.0021597800000000 ] - [ 0.0004498000000000, 0.0003535000000000, -0.0006228100000000 ] - [ -0.0050648100000000, 0.0012134000000000, -0.0105292000000000 ] - [ 0.0003819400000000, -0.0000896300000000, -0.0003415600000000 ] - [ -0.0009397700000000, 0.0007928800000000, 0.0005900100000000 ] - [ -0.0001941200000000, -0.0003421700000000, 0.0007520300000000 ] - [ 0.0008880600000000, -0.0004303700000000, 0.0017821100000000 ] - [ -0.0003077000000000, 0.0000875400000000, -0.0003876900000000 ] - [ 0.0015579800000000, -0.0021115000000000, -0.0029506800000000 ] - [ 0.0023619200000000, -0.0016149500000000, -0.0003203200000000 ] - [ -0.0034264100000000, -0.0021822300000000, 0.0016291400000000 ] - [ -0.0002387500000000, 0.0002959400000000, -0.0010043500000000 ] - [ 0.0034733500000000, -0.0013114400000000, -0.0014254500000000 ] - [ 0.0006534100000000, -0.0013650200000000, 0.0010973600000000 ] - [ -0.0004579900000000, -0.0003075300000000, 0.0005491200000000 ] - [ 0.0005306500000000, 0.0003507500000000, -0.0012055500000000 ] - [ -0.0006624800000000, -0.0001674700000000, -0.0013668900000000 ] - [ -0.0004082800000000, -0.0004809400000000, -0.0001071700000000 ] - [ 0.0003060300000000, -0.0003285900000000, 0.0002014800000000 ] - [ -0.0005919700000000, -0.0008871100000000, 0.0023994600000000 ] - [ 0.0004324300000000, 0.0003262400000000, 0.0010329700000000 ] - [ 0.0087659300000000, -0.0038311300000000, 0.0002379700000000 ] - [ 0.0003773600000000, 0.0003005900000000, 0.0006503500000000 ] - [ -0.0020795900000000, -0.0007562900000000, 0.0003160100000000 ] - [ 0.0008827500000000, -0.0006384600000000, 0.0002775300000000 ] - [ 0.0018651200000000, -0.0013309100000000, -0.0008969500000000 ] - [ 0.0005014100000000, 0.0001382000000000, -0.0003376700000000 ] - [ -0.0026313100000000, -0.0004992300000000, -0.0020207700000000 ] - [ 0.0010854700000000, -0.0001191900000000, 0.0000066100000000 ] - [ 0.0056068800000000, -0.0062313300000000, 0.0001356500000000 ] - [ 0.0001720500000000, 0.0000563500000000, 0.0000033500000000 ] - [ -0.0026702200000000, -0.0020149300000000, 0.0006242400000000 ] - [ 0.0006373900000000, -0.0001245200000000, 0.0001383200000000 ] - [ 0.0025477900000000, 0.0078748200000000, 0.0085300600000000 ] - [ 0.0001369700000000, 0.0001486300000000, 0.0002417400000000 ] - [ 0.0126118900000000, -0.0038153500000000, -0.0105026500000000 ] - [ 0.0004052300000000, 0.0001442200000000, -0.0001206900000000 ] - [ -0.0038673200000000, 0.0002584500000000, -0.0058089600000000 ] - [ 0.0007681200000000, 0.0001120100000000, -0.0001789000000000 ] - [ -0.0234007300000000, -0.0030964600000000, -0.0050557800000000 ] - [ 0.0006307000000000, 0.0000350500000000, 0.0003630700000000 ] - [ -0.0010176300000000, -0.0017329000000000, -0.0010046100000000 ] - [ 0.0006424200000000, 0.0001246800000000, -0.0001939500000000 ]- atom: 51 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ -0.0005300300000000, 0.0001453200000000, -0.0000113200000000 ] - [ -0.0004732000000000, 0.0003040800000000, -0.0003075600000000 ] - [ -0.0001012100000000, -0.0000228400000000, 0.0001940200000000 ] - [ -0.0001431400000000, 0.0001125900000000, 0.0002467000000000 ] - [ 0.0001702900000000, 0.0010884800000000, -0.0009365300000000 ] - [ -0.0004139600000000, 0.0002332300000000, 0.0000159800000000 ] - [ 0.0075191400000000, -0.0030514000000000, -0.0034323200000000 ] - [ -0.0002714100000000, 0.0001345900000000, -0.0000611800000000 ] - [ 0.0018570000000000, -0.0002235500000000, 0.0000887600000000 ] - [ -0.0006118800000000, 0.0000063600000000, 0.0000920000000000 ] - [ 0.0008970100000000, 0.0003644800000000, -0.0004373400000000 ] - [ -0.0008463400000000, -0.0001794400000000, 0.0001047500000000 ] - [ -0.0006597000000000, 0.0001356500000000, -0.0000846400000000 ] - [ 0.0008487700000000, -0.0006799400000000, 0.0000283800000000 ] - [ -0.0007969900000000, 0.0000892800000000, -0.0000320700000000 ] - [ -0.0006818300000000, -0.0006005600000000, 0.0004731500000000 ] - [ 0.0000373100000000, 0.0000411900000000, 0.0004806300000000 ] - [ -0.0005423700000000, 0.0000759700000000, -0.0000396600000000 ] - [ -0.0056055600000000, -0.0026481600000000, -0.0023041200000000 ] - [ -0.0008690300000000, -0.0000229400000000, -0.0000385900000000 ] - [ 0.0028877800000000, 0.0001938900000000, 0.0003092400000000 ] - [ -0.0013936700000000, -0.0004211100000000, 0.0005302000000000 ] - [ 0.0177454800000000, 0.0007546500000000, -0.0092675000000000 ] - [ -0.0013289100000000, -0.0000416400000000, -0.0000791200000000 ] - [ 0.0209366800000000, -0.0035099800000000, -0.0006290200000000 ] - [ -0.0017513800000000, -0.0004170200000000, 0.0004899400000000 ] - [ -0.0012869600000000, 0.0004531400000000, 0.0007845300000000 ] - [ 0.0013994300000000, -0.0014011600000000, -0.0019707600000000 ] - [ -0.0010525100000000, -0.0001189500000000, 0.0001583900000000 ] - [ 0.0006452200000000, 0.0006361800000000, 0.0004406000000000 ] - [ -0.0017305100000000, 0.0003928300000000, 0.0004235800000000 ] - [ -0.0000020500000000, 0.0028668500000000, 0.0024954200000000 ] - [ -0.0027020000000000, 0.0000861700000000, 0.0010058800000000 ] - [ -0.0020399200000000, 0.0004958900000000, -0.0004589400000000 ] - [ -0.0027880100000000, 0.0010857700000000, -0.0002601200000000 ] - [ -0.0018753800000000, -0.0004641000000000, -0.0001195000000000 ] - [ -0.0003762600000000, 0.0004065000000000, -0.0009408500000000 ] - [ -0.0011664500000000, 0.0004745400000000, -0.0000066400000000 ] - [ 0.0028891000000000, 0.0007973900000000, -0.0022831800000000 ] - [ -0.0017925200000000, -0.0004101000000000, -0.0004712700000000 ] - [ 0.0028952700000000, -0.0022245800000000, 0.0043165800000000 ] - [ -0.0014945300000000, 0.0001201300000000, 0.0001896500000000 ] - [ 0.0043167000000000, -0.0007635000000000, -0.0012509700000000 ] - [ -0.0015095900000000, -0.0006192700000000, -0.0003523700000000 ] - [ -0.0039404900000000, -0.0053653300000000, -0.0007135900000000 ] - [ 0.0011020000000000, 0.0001556200000000, -0.0000628500000000 ] - [ -0.0014621200000000, -0.0003378200000000, -0.0038748800000000 ] - [ 0.0008892200000000, 0.0002209500000000, -0.0000301900000000 ] - [ -0.0055285500000000, -0.0005598600000000, 0.0019882800000000 ] - [ 0.0008216100000000, -0.0000179600000000, -0.0002334100000000 ] - [ -0.0472188000000000, 0.0146372700000000, 0.0198747100000000 ] - [ 0.0002538600000000, 0.0000555200000000, -0.0000160100000000 ] - [ -0.0022950100000000, 0.0014702200000000, -0.0010998000000000 ] - [ 0.0004743600000000, 0.0002486800000000, -0.0000731100000000 ] - [ -0.0010297600000000, -0.0002702300000000, -0.0001948200000000 ] - [ 0.0008189400000000, 0.0000976600000000, -0.0001481400000000 ] - [ -0.0066314200000000, -0.0027534400000000, -0.0023473200000000 ] - [ 0.0007969300000000, 0.0000635600000000, -0.0000407000000000 ] - [ -0.0021113100000000, 0.0000184900000000, -0.0000357500000000 ] - [ 0.0010274600000000, 0.0000445600000000, -0.0004704000000000 ] - [ 0.0010169700000000, -0.0000143600000000, -0.0002478800000000 ] - [ 0.0016567800000000, -0.0062759200000000, -0.0015532400000000 ] - [ 0.0006452000000000, 0.0000275900000000, -0.0002523300000000 ] - [ -0.0009462500000000, 0.0000756800000000, 0.0000021900000000 ] - [ 0.0008054300000000, -0.0001136400000000, -0.0000160800000000 ] - [ 0.0024663100000000, -0.0023166000000000, -0.0056971700000000 ] - [ 0.0003243100000000, 0.0001169300000000, -0.0000782200000000 ] - [ -0.0003723100000000, -0.0006756500000000, -0.0009824700000000 ] - [ 0.0003253500000000, -0.0001786300000000, -0.0002929300000000 ] - [ -0.0000068100000000, 0.0000383400000000, 0.0000934400000000 ] - [ 0.0011788400000000, -0.0002980600000000, -0.0003011900000000 ] - [ 0.0015373400000000, 0.0011402800000000, 0.0010123100000000 ] - [ 0.0005082300000000, -0.0001132300000000, 0.0000665800000000 ] - [ 0.0001947600000000, -0.0009672000000000, -0.0005446300000000 ] - [ 0.0011337000000000, -0.0003578000000000, -0.0002711700000000 ] - [ 0.0015261200000000, 0.0004239100000000, 0.0010225300000000 ] - [ 0.0011157200000000, 0.0001575100000000, 0.0002997300000000 ] - [ 0.0009357000000000, -0.0003143200000000, -0.0000058300000000 ] - [ 0.0006537200000000, -0.0003897700000000, -0.0004523100000000 ] - [ 0.0003019900000000, 0.0000355600000000, 0.0001562100000000 ] - [ 0.0003672500000000, -0.0000527300000000, 0.0002423900000000 ] - [ 0.0001705700000000, -0.0001372900000000, -0.0001960100000000 ] - [ 0.0002580400000000, -0.0004176300000000, 0.0004937600000000 ] - [ 0.0003028400000000, 0.0000766800000000, -0.0000719600000000 ] - [ 0.0015890300000000, -0.0006194000000000, -0.0005266000000000 ] - [ 0.0005943200000000, 0.0001279800000000, 0.0001788600000000 ] - [ 0.0000283200000000, 0.0002846300000000, -0.0001517800000000 ] - [ 0.0007701000000000, -0.0005127600000000, 0.0002018900000000 ] - [ 0.0003365600000000, -0.0003135200000000, 0.0004610900000000 ] - [ 0.0006465400000000, 0.0001017100000000, 0.0001160800000000 ] - [ 0.0004926300000000, -0.0000857500000000, -0.0001639600000000 ] - [ 0.0012024300000000, 0.0001198200000000, 0.0002312000000000 ] - [ -0.0006519900000000, 0.0000622300000000, 0.0004923800000000 ] - [ 0.0008198600000000, 0.0000830900000000, -0.0000327300000000 ] - [ 0.0017727600000000, 0.0011521600000000, -0.0023783800000000 ] - [ 0.0008649000000000, -0.0000551000000000, 0.0001919300000000 ] - [ 0.0022534300000000, -0.0037150500000000, -0.0001514800000000 ] - [ 0.0009119300000000, 0.0001434100000000, -0.0000027900000000 ] - [ -0.0004526700000000, 0.0009697000000000, -0.0008151700000000 ] - [ 0.0002517300000000, 0.0000587800000000, 0.0000650200000000 ] - [ -0.0008364700000000, 0.0008131300000000, -0.0008580800000000 ] - [ 0.0004957000000000, 0.0000134700000000, 0.0000642600000000 ] - [ 0.0041786000000000, -0.0005682000000000, 0.0141509900000000 ] - [ 0.0009232600000000, 0.0000345200000000, 0.0001017700000000 ] - [ 0.0040534500000000, 0.0118505100000000, -0.0030376400000000 ] - [ 0.0006875800000000, 0.0000179800000000, 0.0000784200000000 ] - [ -0.0021382100000000, -0.0010696800000000, -0.0001500100000000 ] - [ 0.0009316000000000, 0.0002538900000000, -0.0001058400000000 ]- atom: 51 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ 0.0002533300000000, 0.0001796800000000, 0.0000076800000000 ] - [ 0.0001961800000000, 0.0000214200000000, 0.0003023000000000 ] - [ 0.0002976400000000, 0.0002812400000000, 0.0000322600000000 ] - [ 0.0003412000000000, 0.0001469800000000, -0.0000206300000000 ] - [ -0.0003739700000000, -0.0008345100000000, 0.0007165700000000 ] - [ 0.0002182500000000, 0.0000246900000000, -0.0002434400000000 ] - [ -0.0073224100000000, 0.0035471900000000, 0.0036114500000000 ] - [ 0.0005509400000000, 0.0001906300000000, 0.0000661200000000 ] - [ -0.0016997500000000, 0.0002417600000000, -0.0000986100000000 ] - [ 0.0007902300000000, 0.0000153700000000, -0.0000970400000000 ] - [ -0.0010536300000000, -0.0004184800000000, 0.0005291400000000 ] - [ 0.0006652000000000, 0.0001284000000000, -0.0000076100000000 ] - [ 0.0008434900000000, -0.0001858200000000, -0.0000136700000000 ] - [ -0.0006473300000000, 0.0006279400000000, -0.0001204200000000 ] - [ 0.0006201600000000, -0.0000659000000000, 0.0000371100000000 ] - [ 0.0005066700000000, 0.0006179000000000, -0.0004675500000000 ] - [ -0.0000669100000000, -0.0000084100000000, -0.0003809400000000 ] - [ 0.0005193400000000, -0.0000428300000000, 0.0001427400000000 ] - [ 0.0056938800000000, 0.0027190100000000, 0.0022397900000000 ] - [ 0.0008939500000000, 0.0000570700000000, -0.0000626600000000 ] - [ -0.0026233100000000, -0.0000718800000000, -0.0003686900000000 ] - [ 0.0016628400000000, 0.0005037400000000, -0.0005661900000000 ] - [ -0.0180009800000000, -0.0010273400000000, 0.0100689300000000 ] - [ 0.0013635100000000, -0.0001375600000000, -0.0000024100000000 ] - [ -0.0216180500000000, 0.0037561300000000, 0.0005084100000000 ] - [ 0.0012617900000000, 0.0002788700000000, -0.0005694700000000 ] - [ 0.0017811700000000, -0.0005964700000000, -0.0007117700000000 ] - [ -0.0008872700000000, 0.0012483800000000, 0.0020300200000000 ] - [ 0.0010213200000000, -0.0000641500000000, -0.0000732600000000 ] - [ -0.0006616700000000, -0.0008167900000000, -0.0003531800000000 ] - [ 0.0014672300000000, -0.0003075600000000, -0.0003857500000000 ] - [ -0.0002078500000000, -0.0027652800000000, -0.0024316800000000 ] - [ 0.0027470600000000, -0.0001972600000000, -0.0008150800000000 ] - [ 0.0020676500000000, -0.0006131600000000, 0.0006671700000000 ] - [ 0.0029083500000000, -0.0011111100000000, -0.0000004600000000 ] - [ 0.0019776700000000, 0.0004525000000000, -0.0001439300000000 ] - [ 0.0006512400000000, -0.0003530900000000, 0.0007777500000000 ] - [ 0.0014525600000000, -0.0004220000000000, -0.0001542500000000 ] - [ -0.0032390600000000, -0.0007473700000000, 0.0024568000000000 ] - [ 0.0015150400000000, 0.0004650500000000, 0.0006399800000000 ] - [ -0.0030601700000000, 0.0022294400000000, -0.0040884600000000 ] - [ 0.0013921600000000, -0.0001260600000000, 0.0000750500000000 ] - [ -0.0043958800000000, 0.0006475600000000, 0.0010516600000000 ] - [ 0.0014827100000000, 0.0005017900000000, 0.0001471500000000 ] - [ 0.0041510200000000, 0.0052875200000000, 0.0008194300000000 ] - [ -0.0009607600000000, -0.0003013100000000, 0.0001562800000000 ] - [ 0.0016141200000000, 0.0003870900000000, 0.0039443900000000 ] - [ -0.0007923200000000, -0.0001630800000000, -0.0000403900000000 ] - [ 0.0054026800000000, 0.0003904200000000, -0.0020926500000000 ] - [ -0.0009738600000000, -0.0002096500000000, 0.0001872200000000 ] - [ 0.0475740700000000, -0.0150734800000000, -0.0207241800000000 ] - [ -0.0003681900000000, -0.0000927900000000, 0.0001573600000000 ] - [ 0.0023929200000000, -0.0012110900000000, 0.0011398300000000 ] - [ -0.0003691900000000, 0.0000557900000000, 0.0000825100000000 ] - [ 0.0011541400000000, 0.0002373700000000, 0.0000871400000000 ] - [ -0.0006899600000000, -0.0001243900000000, 0.0000377600000000 ] - [ 0.0067106400000000, 0.0029860300000000, 0.0025788200000000 ] - [ -0.0006655200000000, 0.0000704200000000, 0.0001922300000000 ] - [ 0.0021005500000000, 0.0000012800000000, -0.0000825300000000 ] - [ -0.0010256800000000, -0.0000191000000000, 0.0003372700000000 ] - [ -0.0010208700000000, 0.0000400100000000, 0.0003817700000000 ] - [ -0.0016070200000000, 0.0061682300000000, 0.0016541000000000 ] - [ -0.0007790400000000, 0.0001082000000000, 0.0001031300000000 ] - [ 0.0008036600000000, 0.0000580600000000, -0.0001497300000000 ] - [ -0.0009372900000000, 0.0000852200000000, 0.0001269300000000 ] - [ -0.0025451500000000, 0.0022654000000000, 0.0056725000000000 ] - [ -0.0004300600000000, 0.0001907800000000, 0.0000688500000000 ] - [ 0.0002560900000000, 0.0009788000000000, 0.0009675100000000 ] - [ -0.0002113900000000, 0.0001428100000000, 0.0001506600000000 ] - [ 0.0001183700000000, -0.0000747700000000, -0.0002330800000000 ] - [ -0.0010317400000000, 0.0000710800000000, 0.0003515400000000 ] - [ -0.0013783800000000, -0.0013520900000000, -0.0009593200000000 ] - [ -0.0006058300000000, 0.0001710700000000, 0.0000039000000000 ] - [ -0.0002999900000000, 0.0010195900000000, 0.0006079100000000 ] - [ -0.0012830700000000, 0.0002142400000000, 0.0001797800000000 ] - [ -0.0016647800000000, -0.0005634200000000, -0.0010996500000000 ] - [ -0.0010611400000000, -0.0001253100000000, -0.0001093800000000 ] - [ -0.0008859900000000, 0.0003491900000000, 0.0001997400000000 ] - [ -0.0006250400000000, 0.0002046800000000, 0.0002612500000000 ] - [ -0.0002768400000000, -0.0002211700000000, -0.0003507400000000 ] - [ -0.0005091000000000, -0.0000283100000000, -0.0001445500000000 ] - [ -0.0003195200000000, 0.0000566700000000, 0.0002924900000000 ] - [ -0.0004455200000000, 0.0003948600000000, -0.0004336100000000 ] - [ -0.0004916100000000, -0.0000998600000000, 0.0001355700000000 ] - [ -0.0015358600000000, 0.0006674900000000, 0.0005686600000000 ] - [ -0.0005209000000000, -0.0000876600000000, -0.0001460100000000 ] - [ -0.0001051900000000, -0.0005467500000000, 0.0002786400000000 ] - [ -0.0008548100000000, 0.0002571700000000, -0.0000770200000000 ] - [ -0.0005482700000000, 0.0002792700000000, -0.0004149700000000 ] - [ -0.0008592600000000, -0.0001401100000000, -0.0000704200000000 ] - [ -0.0003612400000000, 0.0002336100000000, 0.0003016300000000 ] - [ -0.0010756300000000, 0.0000273400000000, -0.0001002700000000 ] - [ 0.0005365500000000, 0.0000849700000000, -0.0006264100000000 ] - [ -0.0009504100000000, 0.0000646200000000, -0.0000996300000000 ] - [ -0.0015654200000000, -0.0012007800000000, 0.0023666700000000 ] - [ -0.0006521800000000, 0.0000167400000000, -0.0002408700000000 ] - [ -0.0021792000000000, 0.0034943200000000, 0.0000300600000000 ] - [ -0.0008291900000000, -0.0003978000000000, -0.0001209500000000 ] - [ 0.0003904400000000, -0.0009364000000000, 0.0007899300000000 ] - [ -0.0003229200000000, -0.0000212800000000, -0.0001003600000000 ] - [ 0.0010394800000000, -0.0008452800000000, 0.0008031900000000 ] - [ -0.0003079400000000, -0.0000396300000000, -0.0001285200000000 ] - [ -0.0040780800000000, 0.0005032100000000, -0.0144627300000000 ] - [ -0.0007793000000000, -0.0001157300000000, -0.0002009400000000 ] - [ -0.0041423400000000, -0.0122231800000000, 0.0032746700000000 ] - [ -0.0007175600000000, -0.0002054100000000, 0.0001154900000000 ] - [ 0.0021010600000000, 0.0011061600000000, -0.0000410700000000 ] - [ -0.0009897400000000, -0.0002195800000000, -0.0000878000000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005825400000000, 0.0001132500000000, -0.0000105400000000 ] - [ 0.0013779900000000, -0.0008985100000000, 0.0013214500000000 ] - [ -0.0000111000000000, 0.0004018600000000, 0.0003016600000000 ] - [ 0.0002201400000000, 0.0003170400000000, -0.0000658300000000 ] - [ 0.0021466200000000, -0.0018389200000000, 0.0001358300000000 ] - [ -0.0002184400000000, 0.0001090600000000, -0.0000710300000000 ] - [ -0.0020407300000000, 0.0068860200000000, 0.0035582600000000 ] - [ 0.0000150800000000, 0.0001770800000000, -0.0000036000000000 ] - [ -0.0011063600000000, -0.0014869500000000, -0.0016301600000000 ] - [ 0.0000575300000000, 0.0000224600000000, -0.0000483200000000 ] - [ 0.0009333100000000, 0.0047331500000000, 0.0027555200000000 ] - [ -0.0002167800000000, 0.0000786000000000, 0.0000886400000000 ] - [ -0.0000860100000000, -0.0001188800000000, -0.0000155200000000 ] - [ -0.0005021400000000, -0.0089808000000000, -0.0018533300000000 ] - [ 0.0004590700000000, -0.0002919700000000, -0.0001399700000000 ] - [ -0.0017783200000000, -0.0002841400000000, 0.0005061400000000 ] - [ 0.0003383700000000, -0.0015584900000000, 0.0009416600000000 ] - [ -0.0002642600000000, -0.0002848700000000, -0.0001257800000000 ] - [ 0.0002914200000000, 0.0039520400000000, -0.0022023000000000 ] - [ 0.0003346200000000, 0.0006760500000000, 0.0000502800000000 ] - [ -0.0004825100000000, -0.0056407900000000, 0.0052580500000000 ] - [ -0.0001681000000000, -0.0001914100000000, 0.0000263100000000 ] - [ -0.0027668700000000, 0.0193193700000000, 0.0144615500000000 ] - [ -0.0001788200000000, -0.0000067000000000, -0.0001077800000000 ] - [ -0.0064919900000000, 0.0500683600000000, -0.0097552700000000 ] - [ -0.0005667300000000, -0.0000509700000000, 0.0000723700000000 ] - [ 0.0001127700000000, -0.0003286400000000, 0.0001473600000000 ] - [ -0.0048915500000000, -0.0028120500000000, -0.0015986000000000 ] - [ -0.0004616100000000, -0.0002719300000000, -0.0000099600000000 ] - [ -0.0009680000000000, -0.0042049300000000, -0.0011615400000000 ] - [ -0.0005180500000000, 0.0005066900000000, 0.0000061700000000 ] - [ 0.0065289600000000, 0.0097699000000000, -0.0134295900000000 ] - [ 0.0008082100000000, 0.0020606300000000, 0.0008239800000000 ] - [ -0.0011502400000000, 0.0016640400000000, 0.0002512700000000 ] - [ 0.0014215400000000, -0.0015021700000000, -0.0001873400000000 ] - [ -0.0032298400000000, -0.0006014300000000, 0.0005546800000000 ] - [ -0.0013926900000000, -0.0004962300000000, -0.0013400900000000 ] - [ 0.0012215300000000, -0.0021962500000000, -0.0002019600000000 ] - [ 0.0057612500000000, 0.0047077600000000, 0.0064800300000000 ] - [ -0.0007734100000000, 0.0001410800000000, -0.0002035500000000 ] - [ -0.0111055100000000, 0.0044620800000000, 0.0080013200000000 ] - [ -0.0000868400000000, 0.0001671100000000, 0.0002127500000000 ] - [ -0.0119110200000000, -0.0116259500000000, -0.0010056100000000 ] - [ -0.0001174800000000, -0.0006417200000000, 0.0000484800000000 ] - [ 0.0104844000000000, 0.0237940700000000, 0.0056022300000000 ] - [ 0.0002649900000000, 0.0000210800000000, -0.0000045300000000 ] - [ -0.0026663800000000, 0.0007058000000000, -0.0108928200000000 ] - [ 0.0002665100000000, 0.0000532900000000, -0.0000110000000000 ] - [ 0.0063244100000000, 0.0035935200000000, -0.0186152300000000 ] - [ 0.0000630500000000, -0.0001480900000000, -0.0000882600000000 ] - [ 0.0145781800000000, -0.1299524900000000, 0.0018226000000000 ] - [ 0.0000066000000000, -0.0000849900000000, 0.0000807700000000 ] - [ 0.0011472800000000, 0.0115597000000000, -0.0126742700000000 ] - [ 0.0001304800000000, 0.0001916000000000, 0.0000019600000000 ] - [ 0.0006739300000000, 0.0046811800000000, 0.0000226700000000 ] - [ 0.0002636900000000, 0.0001354300000000, -0.0000376600000000 ] - [ -0.0040336200000000, 0.0087173700000000, 0.0230176900000000 ] - [ 0.0002208200000000, -0.0000195600000000, 0.0000603800000000 ] - [ 0.0030330900000000, 0.0029950400000000, 0.0015205100000000 ] - [ 0.0001574400000000, 0.0000451600000000, -0.0001073900000000 ] - [ 0.0003100800000000, -0.0000607200000000, 0.0000693800000000 ] - [ -0.0188807500000000, 0.0035313100000000, 0.0101101700000000 ] - [ -0.0000144300000000, 0.0002481000000000, -0.0001097900000000 ] - [ 0.0017804900000000, 0.0016505700000000, -0.0005058700000000 ] - [ -0.0000577200000000, -0.0002336300000000, 0.0001246800000000 ] - [ 0.0090798900000000, -0.0104354500000000, -0.0019236600000000 ] - [ 0.0000521000000000, 0.0000654400000000, -0.0000262700000000 ] - [ -0.0010031700000000, 0.0008450400000000, 0.0015726900000000 ] - [ 0.0002270200000000, 0.0001922700000000, -0.0001039900000000 ] - [ 0.0000128200000000, 0.0026990700000000, 0.0000295100000000 ] - [ 0.0000824800000000, 0.0001210600000000, -0.0000430200000000 ] - [ 0.0042827700000000, 0.0023649000000000, 0.0008609100000000 ] - [ 0.0004029800000000, -0.0000465600000000, 0.0001703000000000 ] - [ -0.0008763800000000, 0.0020771100000000, 0.0018342000000000 ] - [ -0.0001257400000000, -0.0001552100000000, -0.0001681000000000 ] - [ 0.0013207200000000, -0.0019241600000000, 0.0001544000000000 ] - [ 0.0003181300000000, -0.0005504500000000, 0.0004102500000000 ] - [ -0.0019876000000000, 0.0004433900000000, 0.0010584900000000 ] - [ -0.0001130600000000, 0.0000406200000000, -0.0002455700000000 ] - [ 0.0010955100000000, -0.0002596400000000, 0.0000185900000000 ] - [ 0.0002485000000000, 0.0002319200000000, 0.0002621100000000 ] - [ -0.0000029900000000, 0.0005191400000000, 0.0005749500000000 ] - [ -0.0004210600000000, 0.0010392200000000, 0.0003245600000000 ] - [ 0.0004366900000000, 0.0009026000000000, -0.0002865900000000 ] - [ -0.0004564200000000, -0.0000776700000000, 0.0004354600000000 ] - [ 0.0002251400000000, -0.0008094300000000, -0.0000264900000000 ] - [ 0.0023433800000000, -0.0024462700000000, -0.0006188500000000 ] - [ -0.0003653600000000, -0.0009495600000000, -0.0002100800000000 ] - [ 0.0016417000000000, 0.0017591600000000, 0.0008790400000000 ] - [ -0.0003308200000000, 0.0012056300000000, -0.0001908500000000 ] - [ -0.0019294300000000, -0.0003422200000000, -0.0011277800000000 ] - [ 0.0007378400000000, -0.0001904300000000, 0.0001154000000000 ] - [ 0.0015167800000000, 0.0012503600000000, 0.0019166800000000 ] - [ -0.0002809800000000, 0.0003179700000000, -0.0001815700000000 ] - [ -0.0013278000000000, -0.0043025000000000, -0.0016192900000000 ] - [ 0.0004758400000000, -0.0002489500000000, 0.0000648000000000 ] - [ -0.0028339000000000, 0.0092545200000000, 0.0006227900000000 ] - [ 0.0007149600000000, 0.0004230000000000, -0.0001123300000000 ] - [ 0.0012579900000000, 0.0019407200000000, -0.0016619400000000 ] - [ 0.0000101000000000, 0.0001082000000000, -0.0000100400000000 ] - [ 0.0011630600000000, -0.0035009500000000, -0.0031973800000000 ] - [ 0.0000922100000000, -0.0001816600000000, 0.0000441600000000 ] - [ -0.0077453000000000, -0.0044063100000000, -0.0059184500000000 ] - [ 0.0002174000000000, -0.0001476300000000, 0.0000617800000000 ] - [ 0.0118359300000000, 0.0070769800000000, -0.0029443600000000 ] - [ -0.0000145600000000, -0.0000393900000000, -0.0000153400000000 ] - [ -0.0022186400000000, 0.0005887000000000, -0.0009479600000000 ] - [ 0.0002282600000000, 0.0001047200000000, -0.0000534800000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003096500000000, 0.0002106300000000, 0.0000064900000000 ] - [ -0.0016773500000000, 0.0012348700000000, -0.0013432300000000 ] - [ 0.0002068400000000, -0.0001499500000000, -0.0000772600000000 ] - [ -0.0000234900000000, -0.0000627700000000, 0.0002933500000000 ] - [ -0.0023496400000000, 0.0021217100000000, -0.0003472200000000 ] - [ 0.0000222700000000, 0.0001499200000000, -0.0001561900000000 ] - [ 0.0020348000000000, -0.0062880200000000, -0.0031644800000000 ] - [ 0.0002637100000000, 0.0001489000000000, 0.0000079000000000 ] - [ 0.0012907400000000, 0.0015012900000000, 0.0016319400000000 ] - [ 0.0001181700000000, -0.0000022800000000, 0.0000437800000000 ] - [ -0.0011108200000000, -0.0048556000000000, -0.0026864000000000 ] - [ 0.0000328900000000, -0.0001325900000000, 0.0000091700000000 ] - [ 0.0002692900000000, 0.0000691100000000, -0.0000828700000000 ] - [ 0.0006541900000000, 0.0089723000000000, 0.0018042000000000 ] - [ -0.0006486900000000, 0.0003231500000000, 0.0001481400000000 ] - [ 0.0016293000000000, 0.0003313700000000, -0.0005116100000000 ] - [ -0.0003649000000000, 0.0016097300000000, -0.0008529800000000 ] - [ 0.0002384500000000, 0.0003217600000000, 0.0002292700000000 ] - [ -0.0003431000000000, -0.0039833800000000, 0.0021188500000000 ] - [ -0.0003138500000000, -0.0006512300000000, -0.0001503600000000 ] - [ 0.0007681200000000, 0.0058505800000000, -0.0053235800000000 ] - [ 0.0004348200000000, 0.0002755800000000, -0.0000615200000000 ] - [ 0.0028282800000000, -0.0196620400000000, -0.0145050700000000 ] - [ 0.0002107700000000, -0.0001743400000000, 0.0000253500000000 ] - [ 0.0066204500000000, -0.0552795000000000, 0.0105640800000000 ] - [ 0.0000743400000000, -0.0000911900000000, -0.0001505700000000 ] - [ 0.0003786500000000, 0.0001930800000000, -0.0000781300000000 ] - [ 0.0053929100000000, 0.0027095200000000, 0.0016614700000000 ] - [ 0.0004345600000000, 0.0000890300000000, 0.0000987700000000 ] - [ 0.0009423600000000, 0.0040505300000000, 0.0012523200000000 ] - [ 0.0002506600000000, -0.0004298300000000, 0.0000338000000000 ] - [ -0.0067993000000000, -0.0099012900000000, 0.0136768700000000 ] - [ -0.0008067600000000, -0.0021921000000000, -0.0006343000000000 ] - [ 0.0011998400000000, -0.0017948900000000, -0.0000493600000000 ] - [ -0.0013001800000000, 0.0015302500000000, -0.0000770100000000 ] - [ 0.0033412000000000, 0.0006076000000000, -0.0008168400000000 ] - [ 0.0016955800000000, 0.0005490900000000, 0.0011949500000000 ] - [ -0.0009547600000000, 0.0022687600000000, 0.0000406800000000 ] - [ -0.0061522200000000, -0.0046956800000000, -0.0064441200000000 ] - [ 0.0005033100000000, -0.0000882800000000, 0.0003738800000000 ] - [ 0.0111320200000000, -0.0045604800000000, -0.0078056000000000 ] - [ -0.0000200100000000, -0.0001779100000000, 0.0000499500000000 ] - [ 0.0120593100000000, 0.0115595700000000, 0.0007946500000000 ] - [ 0.0000819600000000, 0.0005254000000000, -0.0002575300000000 ] - [ -0.0105143300000000, -0.0243405200000000, -0.0056107700000000 ] - [ -0.0001228300000000, -0.0001644200000000, 0.0000981700000000 ] - [ 0.0028018100000000, -0.0006249400000000, 0.0110865100000000 ] - [ -0.0001706300000000, 0.0000038900000000, -0.0000600100000000 ] - [ -0.0065775100000000, -0.0037741100000000, 0.0189263400000000 ] - [ -0.0002152300000000, -0.0000788600000000, 0.0000405100000000 ] - [ -0.0151270300000000, 0.1354325700000000, -0.0031817900000000 ] - [ -0.0001193000000000, 0.0000468800000000, 0.0000572400000000 ] - [ -0.0010271700000000, -0.0112898500000000, 0.0125308300000000 ] - [ -0.0000253300000000, 0.0001108700000000, 0.0000061500000000 ] - [ -0.0005519100000000, -0.0047530500000000, -0.0001347500000000 ] - [ -0.0001348200000000, -0.0001666000000000, -0.0000735900000000 ] - [ 0.0041912700000000, -0.0086341400000000, -0.0232309300000000 ] - [ -0.0000875600000000, 0.0001559100000000, 0.0000906500000000 ] - [ -0.0030386900000000, -0.0029861000000000, -0.0016128100000000 ] - [ -0.0001509800000000, -0.0000204300000000, -0.0000245000000000 ] - [ -0.0003169200000000, 0.0000883400000000, 0.0000614900000000 ] - [ 0.0192676100000000, -0.0035193100000000, -0.0101637600000000 ] - [ -0.0001180300000000, -0.0001152200000000, -0.0000400800000000 ] - [ -0.0019248100000000, -0.0015395300000000, 0.0003686500000000 ] - [ -0.0000699200000000, 0.0002055400000000, -0.0000155200000000 ] - [ -0.0094097600000000, 0.0105542800000000, 0.0021093700000000 ] - [ -0.0001570100000000, 0.0002442300000000, 0.0000170400000000 ] - [ 0.0009051600000000, -0.0005284200000000, -0.0015990200000000 ] - [ -0.0001157500000000, -0.0002339300000000, -0.0000368400000000 ] - [ 0.0001026300000000, -0.0027619300000000, -0.0001609800000000 ] - [ 0.0000646500000000, -0.0003523300000000, 0.0000965200000000 ] - [ -0.0041164100000000, -0.0026085700000000, -0.0008124200000000 ] - [ -0.0005067500000000, 0.0001070000000000, -0.0001027600000000 ] - [ 0.0007890600000000, -0.0020286300000000, -0.0017905700000000 ] - [ -0.0000107000000000, 0.0000083200000000, 0.0000766800000000 ] - [ -0.0014893700000000, 0.0017792400000000, -0.0002496600000000 ] - [ -0.0002591300000000, 0.0005979200000000, -0.0002224700000000 ] - [ 0.0020586800000000, -0.0004065300000000, -0.0008810000000000 ] - [ 0.0001409800000000, -0.0002370900000000, 0.0000561200000000 ] - [ -0.0010714300000000, 0.0000668500000000, -0.0002136800000000 ] - [ -0.0003962300000000, -0.0003145400000000, -0.0001657400000000 ] - [ -0.0001405900000000, -0.0006046100000000, -0.0004784300000000 ] - [ 0.0002362300000000, -0.0010797300000000, -0.0002688700000000 ] - [ -0.0006304300000000, -0.0009370900000000, 0.0003489400000000 ] - [ 0.0005407600000000, 0.0001030400000000, -0.0004035200000000 ] - [ -0.0001550400000000, 0.0008521200000000, 0.0000612400000000 ] - [ -0.0024530800000000, 0.0022251400000000, 0.0007535900000000 ] - [ 0.0002888900000000, 0.0007073400000000, 0.0003388000000000 ] - [ -0.0018867500000000, -0.0018120700000000, -0.0008463100000000 ] - [ 0.0001261000000000, -0.0012562400000000, 0.0002352100000000 ] - [ 0.0020992700000000, 0.0004904200000000, 0.0012807000000000 ] - [ -0.0006224600000000, 0.0003386200000000, 0.0000202700000000 ] - [ -0.0016697700000000, -0.0011065300000000, -0.0020798900000000 ] - [ 0.0001544600000000, -0.0001721000000000, 0.0000499700000000 ] - [ 0.0015769000000000, 0.0043101500000000, 0.0015966200000000 ] - [ -0.0002672300000000, 0.0002117600000000, -0.0001114100000000 ] - [ 0.0028811800000000, -0.0095606600000000, -0.0007491300000000 ] - [ -0.0006333700000000, -0.0006783100000000, -0.0000110900000000 ] - [ -0.0013473300000000, -0.0019026000000000, 0.0016546500000000 ] - [ -0.0000799300000000, -0.0000673300000000, -0.0000254100000000 ] - [ -0.0009853600000000, 0.0035287000000000, 0.0031815300000000 ] - [ 0.0000965200000000, 0.0001601100000000, -0.0001097300000000 ] - [ 0.0080619400000000, 0.0043130600000000, 0.0059978500000000 ] - [ -0.0000735700000000, 0.0000678200000000, -0.0001648200000000 ] - [ -0.0120402100000000, -0.0072732900000000, 0.0031638900000000 ] - [ -0.0000122700000000, -0.0001483800000000, 0.0002113000000000 ] - [ 0.0021699200000000, -0.0005888100000000, 0.0007713800000000 ] - [ -0.0002854900000000, -0.0000737200000000, -0.0001395900000000 ]- atom: 51 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ 0.0003270200000000, 0.0001839000000000, 0.0000287300000000 ] - [ -0.0009546100000000, 0.0007355300000000, -0.0005587700000000 ] - [ -0.0000037700000000, -0.0001877300000000, -0.0001993400000000 ] - [ 0.0004511100000000, 0.0001528300000000, -0.0002576800000000 ] - [ -0.0022762900000000, 0.0017867100000000, 0.0012816900000000 ] - [ 0.0001049200000000, 0.0000497500000000, -0.0001381100000000 ] - [ -0.0028124100000000, 0.0028465000000000, 0.0053954000000000 ] - [ 0.0002542100000000, 0.0001638400000000, 0.0000388900000000 ] - [ -0.0026648200000000, -0.0014299400000000, -0.0010091700000000 ] - [ 0.0004635900000000, 0.0000500700000000, -0.0001114500000000 ] - [ -0.0011543100000000, -0.0021996100000000, -0.0087324800000000 ] - [ 0.0001663100000000, -0.0000085300000000, -0.0000929600000000 ] - [ 0.0004347700000000, -0.0000829800000000, 0.0000795400000000 ] - [ 0.0005363600000000, 0.0032001200000000, 0.0051766500000000 ] - [ -0.0008423100000000, 0.0005089200000000, 0.0001953900000000 ] - [ 0.0030024300000000, 0.0017501700000000, -0.0015747800000000 ] - [ -0.0003599600000000, 0.0011569700000000, -0.0015242500000000 ] - [ 0.0003202000000000, -0.0000700000000000, -0.0002173200000000 ] - [ 0.0003991900000000, -0.0018154300000000, 0.0051496700000000 ] - [ 0.0005848200000000, 0.0000764500000000, 0.0005788300000000 ] - [ 0.0016251700000000, 0.0073528800000000, -0.0140397300000000 ] - [ 0.0007216600000000, 0.0002166700000000, -0.0003504800000000 ] - [ -0.0115315600000000, -0.0152799500000000, 0.1392726100000000 ] - [ 0.0004285100000000, -0.0000763600000000, 0.0000492300000000 ] - [ -0.0077030700000000, 0.0306107800000000, 0.0256499700000000 ] - [ 0.0002847300000000, 0.0000169700000000, -0.0000864100000000 ] - [ 0.0009974500000000, -0.0001569600000000, -0.0006252900000000 ] - [ -0.0011284600000000, -0.0033077900000000, -0.0034266400000000 ] - [ 0.0003895400000000, -0.0000913200000000, -0.0002108200000000 ] - [ 0.0015744800000000, 0.0003618500000000, -0.0022637000000000 ] - [ 0.0000275800000000, -0.0003134200000000, 0.0000817200000000 ] - [ 0.0066815300000000, -0.0127438900000000, 0.0123711900000000 ] - [ 0.0020005000000000, -0.0015463600000000, -0.0019924200000000 ] - [ -0.0022998100000000, -0.0001330700000000, -0.0002843600000000 ] - [ 0.0027506000000000, 0.0008238000000000, 0.0007361100000000 ] - [ -0.0003463200000000, -0.0001960900000000, 0.0012010700000000 ] - [ 0.0004622300000000, -0.0001686800000000, 0.0016164900000000 ] - [ 0.0014410400000000, -0.0005694700000000, 0.0010587800000000 ] - [ -0.0110880300000000, -0.0040421900000000, -0.0151682400000000 ] - [ 0.0007811600000000, 0.0001243600000000, -0.0001269600000000 ] - [ 0.0111236800000000, 0.0004199300000000, -0.0083756100000000 ] - [ -0.0000272200000000, 0.0001269800000000, 0.0000046000000000 ] - [ 0.0050929700000000, 0.0034990500000000, 0.0025740400000000 ] - [ 0.0004217300000000, 0.0000705100000000, 0.0003356000000000 ] - [ -0.0039023600000000, -0.0125663300000000, -0.0040472000000000 ] - [ -0.0002941900000000, -0.0001497400000000, 0.0000116900000000 ] - [ 0.0050534100000000, -0.0009107300000000, 0.0233831200000000 ] - [ -0.0002653500000000, -0.0000511900000000, 0.0000277600000000 ] - [ -0.0057585900000000, -0.0129942300000000, 0.0139022800000000 ] - [ -0.0002921600000000, -0.0001381800000000, 0.0000084100000000 ] - [ 0.0202252000000000, 0.0014678600000000, -0.2196525900000000 ] - [ -0.0001600300000000, -0.0000089700000000, 0.0000128800000000 ] - [ -0.0004618700000000, -0.0195389500000000, 0.0072798600000000 ] - [ -0.0001199400000000, 0.0000986900000000, 0.0000394300000000 ] - [ -0.0007170500000000, -0.0023224200000000, 0.0016331500000000 ] - [ -0.0002481600000000, -0.0000564600000000, 0.0000071100000000 ] - [ -0.0039304900000000, 0.0250435800000000, 0.0057245300000000 ] - [ -0.0001533700000000, 0.0000883000000000, 0.0000562900000000 ] - [ -0.0001955900000000, 0.0031414400000000, 0.0097595600000000 ] - [ -0.0004851200000000, -0.0000096900000000, 0.0002041900000000 ] - [ -0.0004051900000000, 0.0000727600000000, -0.0000243000000000 ] - [ 0.0121309300000000, -0.0029331300000000, -0.0124315900000000 ] - [ -0.0002086900000000, -0.0000300500000000, 0.0001401300000000 ] - [ -0.0015508200000000, -0.0010923800000000, 0.0026352200000000 ] - [ -0.0001252900000000, 0.0001081500000000, -0.0000287600000000 ] - [ -0.0180027400000000, 0.0092848200000000, 0.0026380800000000 ] - [ -0.0001341000000000, 0.0002977600000000, 0.0001065500000000 ] - [ -0.0008371900000000, 0.0014973600000000, 0.0014944100000000 ] - [ -0.0001514600000000, 0.0000135800000000, 0.0001951100000000 ] - [ 0.0002376600000000, -0.0001102500000000, 0.0018954400000000 ] - [ -0.0007437700000000, -0.0000875100000000, 0.0002850500000000 ] - [ 0.0012492300000000, 0.0004403600000000, -0.0006589500000000 ] - [ -0.0002726400000000, 0.0002009700000000, -0.0000714900000000 ] - [ -0.0012310300000000, 0.0005226300000000, -0.0010730000000000 ] - [ -0.0006509400000000, 0.0000762500000000, 0.0004143300000000 ] - [ 0.0031527100000000, 0.0013634500000000, 0.0024724400000000 ] - [ 0.0002450700000000, 0.0008199500000000, -0.0003221600000000 ] - [ -0.0017876000000000, 0.0012444200000000, -0.0005596000000000 ] - [ -0.0003393800000000, -0.0001342700000000, 0.0004948800000000 ] - [ 0.0000842700000000, 0.0003447500000000, -0.0000466500000000 ] - [ -0.0001469000000000, -0.0002077300000000, -0.0001005800000000 ] - [ -0.0007086900000000, -0.0000105200000000, 0.0000245100000000 ] - [ 0.0002414600000000, -0.0007545800000000, -0.0012152000000000 ] - [ -0.0008016400000000, -0.0002101100000000, -0.0008958500000000 ] - [ -0.0005400800000000, -0.0001614200000000, -0.0003060600000000 ] - [ 0.0001326900000000, 0.0002595700000000, -0.0008714700000000 ] - [ -0.0023176500000000, 0.0011028900000000, 0.0007044800000000 ] - [ 0.0002665500000000, -0.0003115300000000, 0.0003770200000000 ] - [ -0.0018885900000000, -0.0004550700000000, -0.0013507400000000 ] - [ -0.0000354500000000, -0.0000146600000000, -0.0006843500000000 ] - [ 0.0028480100000000, 0.0004533600000000, 0.0028975100000000 ] - [ -0.0008487000000000, 0.0001104800000000, 0.0012291000000000 ] - [ 0.0004931100000000, -0.0001790100000000, -0.0024997700000000 ] - [ -0.0008224300000000, 0.0001513300000000, -0.0003741000000000 ] - [ -0.0025316800000000, 0.0014340500000000, 0.0090124000000000 ] - [ 0.0002042000000000, 0.0000167400000000, 0.0002270500000000 ] - [ -0.0028411700000000, -0.0006823700000000, -0.0017039900000000 ] - [ -0.0000394900000000, -0.0001091000000000, -0.0001863300000000 ] - [ -0.0011111100000000, -0.0019076600000000, 0.0010822000000000 ] - [ -0.0001160100000000, -0.0001125300000000, -0.0000669100000000 ] - [ 0.0006484800000000, 0.0029312700000000, 0.0052082200000000 ] - [ -0.0000844100000000, -0.0000461400000000, 0.0001887500000000 ] - [ 0.0174176200000000, 0.0010900100000000, 0.0102461700000000 ] - [ -0.0003551600000000, -0.0000989000000000, -0.0000356300000000 ] - [ -0.0062916200000000, -0.0055508900000000, -0.0004159000000000 ] - [ -0.0002390600000000, -0.0001537700000000, -0.0000486100000000 ] - [ 0.0023339500000000, -0.0014173800000000, 0.0021599300000000 ] - [ -0.0004761600000000, -0.0000247300000000, -0.0000166500000000 ]- atom: 51 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ -0.0006089700000000, 0.0001420100000000, -0.0000299000000000 ] - [ 0.0006927000000000, -0.0004204600000000, 0.0005720200000000 ] - [ 0.0002024900000000, 0.0004505700000000, 0.0004261000000000 ] - [ -0.0002567400000000, 0.0001060200000000, 0.0004855300000000 ] - [ 0.0021023900000000, -0.0015352000000000, -0.0015351600000000 ] - [ -0.0003031300000000, 0.0002087900000000, -0.0000891900000000 ] - [ 0.0027589500000000, -0.0020974700000000, -0.0050310600000000 ] - [ 0.0000231400000000, 0.0001608100000000, -0.0000336700000000 ] - [ 0.0028518300000000, 0.0014445900000000, 0.0009824200000000 ] - [ -0.0002895000000000, -0.0000281200000000, 0.0001072300000000 ] - [ 0.0009509300000000, 0.0021947300000000, 0.0088564700000000 ] - [ -0.0003497400000000, -0.0000433400000000, 0.0001906500000000 ] - [ -0.0002566000000000, 0.0000332300000000, -0.0001793100000000 ] - [ -0.0003520700000000, -0.0032895100000000, -0.0053443300000000 ] - [ 0.0006739100000000, -0.0004919200000000, -0.0001963200000000 ] - [ -0.0032139900000000, -0.0017390000000000, 0.0015872800000000 ] - [ 0.0003430400000000, -0.0011403200000000, 0.0016420000000000 ] - [ -0.0003509700000000, 0.0001024700000000, 0.0003213500000000 ] - [ -0.0004575200000000, 0.0018471200000000, -0.0053124900000000 ] - [ -0.0005619800000000, -0.0000413700000000, -0.0006846400000000 ] - [ -0.0013779100000000, -0.0073822300000000, 0.0141401200000000 ] - [ -0.0004606600000000, -0.0001362100000000, 0.0003172800000000 ] - [ 0.0125176400000000, 0.0167278200000000, -0.1492347600000000 ] - [ -0.0004031600000000, -0.0001058700000000, -0.0001346100000000 ] - [ 0.0072523600000000, -0.0310609600000000, -0.0256122700000000 ] - [ -0.0007818800000000, -0.0001564400000000, 0.0000079500000000 ] - [ -0.0005125500000000, 0.0000109900000000, 0.0007082500000000 ] - [ 0.0015860500000000, 0.0031636900000000, 0.0035609700000000 ] - [ -0.0004224300000000, -0.0000940800000000, 0.0002971400000000 ] - [ -0.0016378600000000, -0.0005752300000000, 0.0023577200000000 ] - [ -0.0002985700000000, 0.0004042100000000, -0.0000446400000000 ] - [ -0.0069153900000000, 0.0129393500000000, -0.0125126000000000 ] - [ -0.0019650000000000, 0.0014353100000000, 0.0022364900000000 ] - [ 0.0023285100000000, 0.0000290800000000, 0.0005061600000000 ] - [ -0.0026882800000000, -0.0008455900000000, -0.0010009000000000 ] - [ 0.0004575000000000, 0.0001856300000000, -0.0014694900000000 ] - [ -0.0001940700000000, 0.0002245600000000, -0.0018063700000000 ] - [ -0.0011655600000000, 0.0006199800000000, -0.0012393600000000 ] - [ 0.0109418700000000, 0.0041461100000000, 0.0154008800000000 ] - [ -0.0010724100000000, -0.0000693900000000, 0.0002928700000000 ] - [ -0.0112358900000000, -0.0003747100000000, 0.0087749400000000 ] - [ -0.0000780500000000, -0.0001319500000000, 0.0002622100000000 ] - [ -0.0052115600000000, -0.0036723200000000, -0.0027757800000000 ] - [ -0.0004525600000000, -0.0001880500000000, -0.0005434900000000 ] - [ 0.0041093000000000, 0.0125854900000000, 0.0042416000000000 ] - [ 0.0004393600000000, 0.0000027100000000, 0.0000828400000000 ] - [ -0.0050350500000000, 0.0009797000000000, -0.0238393200000000 ] - [ 0.0003687600000000, 0.0001097900000000, -0.0000985600000000 ] - [ 0.0055901900000000, 0.0125481000000000, -0.0139061600000000 ] - [ 0.0001454700000000, -0.0000914500000000, -0.0000522000000000 ] - [ -0.0209117100000000, -0.0033604500000000, 0.2294276600000000 ] - [ 0.0000480600000000, -0.0000238300000000, 0.0001304000000000 ] - [ 0.0005733200000000, 0.0201996600000000, -0.0072784600000000 ] - [ 0.0002283700000000, 0.0002070300000000, -0.0000290200000000 ] - [ 0.0008642900000000, 0.0023447300000000, -0.0017525000000000 ] - [ 0.0003794500000000, 0.0000291000000000, -0.0001194800000000 ] - [ 0.0040692700000000, -0.0251743600000000, -0.0055025200000000 ] - [ 0.0002893600000000, 0.0000455200000000, 0.0000943800000000 ] - [ 0.0002217800000000, -0.0030876000000000, -0.0099513900000000 ] - [ 0.0004897900000000, 0.0000367100000000, -0.0003416100000000 ] - [ 0.0004125000000000, -0.0000466900000000, 0.0001577700000000 ] - [ -0.0123004000000000, 0.0030441700000000, 0.0126604400000000 ] - [ 0.0000752100000000, 0.0001663900000000, -0.0002917600000000 ] - [ 0.0014459300000000, 0.0012449900000000, -0.0028112000000000 ] - [ -0.0000047000000000, -0.0001406500000000, 0.0001438700000000 ] - [ 0.0181272700000000, -0.0094377300000000, -0.0024968400000000 ] - [ 0.0000277300000000, 0.0000103200000000, -0.0001147000000000 ] - [ 0.0007340400000000, -0.0011875500000000, -0.0014902900000000 ] - [ 0.0002661100000000, -0.0000481800000000, -0.0003446600000000 ] - [ -0.0001209800000000, 0.0000886600000000, -0.0020604200000000 ] - [ 0.0009029000000000, -0.0001421300000000, -0.0002436600000000 ] - [ -0.0011165900000000, -0.0006788600000000, 0.0006829500000000 ] - [ 0.0001773500000000, -0.0001443900000000, 0.0001465200000000 ] - [ 0.0011388800000000, -0.0004551600000000, 0.0011661600000000 ] - [ 0.0005013700000000, -0.0002182600000000, -0.0005120900000000 ] - [ -0.0032779900000000, -0.0015168000000000, -0.0025787500000000 ] - [ -0.0001892200000000, -0.0007924800000000, 0.0005224600000000 ] - [ 0.0018418500000000, -0.0012164500000000, 0.0007668800000000 ] - [ 0.0003700800000000, -0.0000479200000000, -0.0006995500000000 ] - [ -0.0000477300000000, -0.0005317900000000, -0.0001538000000000 ] - [ 0.0000062200000000, 0.0001272100000000, 0.0002039000000000 ] - [ 0.0005753700000000, -0.0000696300000000, 0.0000799600000000 ] - [ -0.0004329600000000, 0.0007361700000000, 0.0012919500000000 ] - [ 0.0006184200000000, 0.0001877600000000, 0.0009677400000000 ] - [ 0.0006226700000000, 0.0002032200000000, 0.0003281100000000 ] - [ -0.0000640100000000, -0.0002228100000000, 0.0009015900000000 ] - [ 0.0022370900000000, -0.0013784200000000, -0.0005943300000000 ] - [ -0.0003552700000000, 0.0000490700000000, -0.0002592400000000 ] - [ 0.0017008000000000, 0.0004240300000000, 0.0014127400000000 ] - [ -0.0001823800000000, -0.0000179300000000, 0.0007377100000000 ] - [ -0.0027651100000000, -0.0003083300000000, -0.0027864000000000 ] - [ 0.0009851400000000, 0.0000356600000000, -0.0011020700000000 ] - [ -0.0006110400000000, 0.0003362900000000, 0.0023998500000000 ] - [ 0.0006988300000000, -0.0000023100000000, 0.0002446600000000 ] - [ 0.0027201400000000, -0.0014897800000000, -0.0090984100000000 ] - [ 0.0000132200000000, -0.0000538600000000, -0.0002774100000000 ] - [ 0.0029756700000000, 0.0004201800000000, 0.0015798300000000 ] - [ 0.0001255700000000, -0.0001435900000000, 0.0000643500000000 ] - [ 0.0010454800000000, 0.0019385400000000, -0.0011657400000000 ] - [ 0.0000476300000000, 0.0001495600000000, 0.0000311800000000 ] - [ -0.0004621700000000, -0.0029929200000000, -0.0053088900000000 ] - [ 0.0002760600000000, 0.0000175500000000, -0.0002530600000000 ] - [ -0.0174938700000000, -0.0011984800000000, -0.0103202400000000 ] - [ 0.0005026200000000, 0.0000164900000000, -0.0000607300000000 ] - [ 0.0063659300000000, 0.0054825600000000, 0.0005137000000000 ] - [ 0.0002097000000000, -0.0000334900000000, 0.0002410500000000 ] - [ -0.0024266500000000, 0.0014675000000000, -0.0023719800000000 ] - [ 0.0004249500000000, 0.0000621100000000, -0.0001785400000000 ]- atom: 53 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ -0.0005287300000000, 0.0002587700000000, -0.0000147900000000 ] - [ -0.0001630200000000, -0.0001369400000000, -0.0000210800000000 ] - [ -0.0002056000000000, 0.0000038700000000, 0.0000706500000000 ] - [ -0.0001679200000000, 0.0000102900000000, 0.0003037400000000 ] - [ -0.0015192700000000, 0.0014111900000000, 0.0007727000000000 ] - [ -0.0006946700000000, 0.0003451500000000, 0.0001071200000000 ] - [ 0.0010653200000000, 0.0000298200000000, 0.0005374600000000 ] - [ -0.0004204300000000, 0.0001799700000000, -0.0001061800000000 ] - [ 0.0021805200000000, 0.0006771300000000, -0.0005787000000000 ] - [ -0.0009732000000000, -0.0000662900000000, 0.0001885000000000 ] - [ 0.0018972000000000, -0.0000223100000000, 0.0003946000000000 ] - [ -0.0010412800000000, -0.0001476100000000, 0.0000404400000000 ] - [ -0.0010623100000000, 0.0001507500000000, 0.0000291400000000 ] - [ 0.0225274200000000, 0.0171529200000000, 0.0156157400000000 ] - [ -0.0013028800000000, -0.0001332400000000, -0.0001057000000000 ] - [ -0.0049922700000000, 0.0020432000000000, 0.0024633700000000 ] - [ -0.0006973700000000, 0.0008411900000000, -0.0003181200000000 ] - [ -0.0010187300000000, 0.0000203100000000, 0.0000011600000000 ] - [ -0.0006072900000000, -0.0006717600000000, 0.0009924200000000 ] - [ -0.0009226200000000, 0.0000273200000000, -0.0001231500000000 ] - [ 0.0207873200000000, 0.0013833000000000, -0.0020238600000000 ] - [ -0.0021079000000000, -0.0006647300000000, 0.0006749100000000 ] - [ 0.0174412700000000, -0.0015317000000000, -0.0004267900000000 ] - [ -0.0018811200000000, 0.0000263200000000, -0.0000538100000000 ] - [ 0.0038280800000000, 0.0001865100000000, -0.0014827800000000 ] - [ -0.0023005600000000, -0.0006010000000000, 0.0006878100000000 ] - [ -0.0018616100000000, 0.0002376600000000, 0.0009066100000000 ] - [ 0.0040131000000000, 0.0010525800000000, 0.0002392400000000 ] - [ -0.0018771800000000, -0.0001479400000000, -0.0001388400000000 ] - [ 0.0019986300000000, -0.0037137400000000, 0.0020800600000000 ] - [ -0.0025400400000000, 0.0008560200000000, 0.0007470800000000 ] - [ 0.0022336100000000, 0.0022140100000000, -0.0016200900000000 ] - [ -0.0014151900000000, -0.0003948200000000, -0.0000064600000000 ] - [ -0.0009942700000000, 0.0011218500000000, -0.0004729900000000 ] - [ -0.0029002300000000, -0.0002355400000000, 0.0008633400000000 ] - [ -0.0039435300000000, 0.0003075400000000, -0.0009143600000000 ] - [ -0.0033075200000000, 0.0012792400000000, -0.0007017700000000 ] - [ -0.0037204500000000, -0.0007428000000000, -0.0004061500000000 ] - [ 0.0010275100000000, -0.0037823700000000, -0.0052609800000000 ] - [ -0.0023192500000000, -0.0004276800000000, -0.0005158400000000 ] - [ 0.0015901600000000, -0.0005106500000000, -0.0008652000000000 ] - [ -0.0017090800000000, -0.0000743800000000, 0.0001777600000000 ] - [ 0.0022563300000000, 0.0035363200000000, 0.0020918500000000 ] - [ -0.0022230300000000, -0.0011680600000000, -0.0006866900000000 ] - [ -0.0035275400000000, -0.0007274900000000, 0.0001061600000000 ] - [ 0.0016050100000000, 0.0003275400000000, -0.0001017200000000 ] - [ -0.0066995800000000, 0.0014779700000000, 0.0018604500000000 ] - [ 0.0011566100000000, 0.0002710300000000, -0.0000274800000000 ] - [ -0.0019331100000000, -0.0000809700000000, 0.0006247500000000 ] - [ 0.0010650600000000, 0.0000058100000000, -0.0002818100000000 ] - [ -0.0023964800000000, 0.0010983000000000, -0.0004831700000000 ] - [ 0.0003625300000000, 0.0000664400000000, -0.0000906300000000 ] - [ -0.0684855300000000, -0.0270557400000000, -0.0231571400000000 ] - [ 0.0006927000000000, 0.0002619800000000, -0.0001200700000000 ] - [ -0.0053013800000000, -0.0005346100000000, -0.0001334000000000 ] - [ 0.0012520800000000, 0.0002055500000000, -0.0001851200000000 ] - [ -0.0009397500000000, 0.0017507200000000, 0.0008388100000000 ] - [ 0.0011787300000000, 0.0000362800000000, -0.0001152000000000 ] - [ -0.0031510900000000, 0.0002782600000000, 0.0032046800000000 ] - [ 0.0013909700000000, 0.0000959200000000, -0.0005465000000000 ] - [ 0.0013691000000000, -0.0000519500000000, -0.0005154300000000 ] - [ -0.0027489800000000, 0.0001388300000000, 0.0021315200000000 ] - [ 0.0010233700000000, 0.0001088800000000, -0.0001950900000000 ] - [ 0.0034149200000000, 0.0022270400000000, -0.0112631500000000 ] - [ 0.0011699600000000, -0.0002243100000000, -0.0000594500000000 ] - [ 0.0038404200000000, -0.0125887500000000, -0.0004610800000000 ] - [ 0.0005029500000000, -0.0000152100000000, -0.0000353400000000 ] - [ -0.0008982500000000, 0.0009860500000000, -0.0007708300000000 ] - [ 0.0004357100000000, -0.0001169600000000, -0.0001609800000000 ] - [ -0.0002591200000000, 0.0009466500000000, -0.0008703500000000 ] - [ 0.0014879400000000, -0.0002721200000000, -0.0004715200000000 ] - [ 0.0036860200000000, 0.0000727200000000, 0.0050933800000000 ] - [ 0.0013000400000000, -0.0003643000000000, 0.0000972500000000 ] - [ 0.0028768400000000, 0.0037457400000000, -0.0009966900000000 ] - [ 0.0010338400000000, -0.0001762000000000, -0.0001709200000000 ] - [ -0.0002877300000000, -0.0010542300000000, -0.0000315800000000 ] - [ 0.0017520900000000, -0.0003950700000000, 0.0000168800000000 ] - [ 0.0007467700000000, 0.0005067000000000, 0.0003192200000000 ] - [ 0.0011600600000000, -0.0000589500000000, -0.0003081000000000 ] - [ 0.0008842000000000, -0.0005026700000000, 0.0002888500000000 ] - [ 0.0010739300000000, -0.0002854700000000, 0.0005489800000000 ] - [ 0.0003210800000000, 0.0002003600000000, -0.0004819200000000 ] - [ 0.0015551300000000, -0.0003387000000000, -0.0003007900000000 ] - [ 0.0015918500000000, 0.0003238600000000, 0.0004207700000000 ] - [ 0.0004618500000000, 0.0003265600000000, -0.0003695300000000 ] - [ 0.0004661500000000, -0.0006662200000000, 0.0004988100000000 ] - [ 0.0000190800000000, 0.0001991500000000, 0.0001607000000000 ] - [ 0.0006916200000000, -0.0005154000000000, 0.0001038200000000 ] - [ 0.0002322800000000, -0.0003921100000000, -0.0002498200000000 ] - [ 0.0008992600000000, 0.0003974200000000, 0.0004336100000000 ] - [ 0.0008019000000000, 0.0002774700000000, 0.0004390700000000 ] - [ 0.0014642500000000, -0.0001515000000000, -0.0000000300000000 ] - [ 0.0029794200000000, -0.0028458300000000, -0.0008140800000000 ] - [ 0.0015923400000000, 0.0002899900000000, 0.0000725000000000 ] - [ 0.0001312000000000, 0.0009474800000000, 0.0013945800000000 ] - [ 0.0008903000000000, -0.0000945200000000, 0.0001928300000000 ] - [ 0.0028021200000000, -0.0020538300000000, -0.0031723700000000 ] - [ 0.0015033000000000, 0.0003649000000000, 0.0001182100000000 ] - [ -0.0002746500000000, -0.0004412800000000, -0.0002689700000000 ] - [ 0.0003776300000000, 0.0002666200000000, 0.0001838500000000 ] - [ -0.0005704200000000, 0.0013656700000000, 0.0011590400000000 ] - [ 0.0006207200000000, 0.0000633800000000, 0.0000421500000000 ] - [ 0.0050337100000000, 0.0106732500000000, 0.0033245400000000 ] - [ 0.0012557500000000, 0.0000020000000000, 0.0001132200000000 ] - [ -0.0014049800000000, -0.0004629700000000, 0.0000840500000000 ] - [ 0.0008997500000000, 0.0001785500000000, 0.0001300800000000 ] - [ 0.0029751500000000, 0.0015615800000000, 0.0101997400000000 ] - [ 0.0014229700000000, 0.0002410500000000, -0.0001336800000000 ]- atom: 53 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ 0.0002527500000000, 0.0000590900000000, 0.0000057600000000 ] - [ -0.0001095200000000, 0.0004539400000000, 0.0000127400000000 ] - [ 0.0003989200000000, 0.0002547400000000, 0.0001567100000000 ] - [ 0.0003646000000000, 0.0002493700000000, -0.0000784300000000 ] - [ 0.0007388400000000, -0.0011011000000000, -0.0009736500000000 ] - [ 0.0004985200000000, -0.0000859500000000, -0.0003333200000000 ] - [ -0.0008043700000000, 0.0002942500000000, -0.0005281300000000 ] - [ 0.0006961800000000, 0.0001394300000000, 0.0001160000000000 ] - [ -0.0020354600000000, -0.0006617500000000, 0.0005710200000000 ] - [ 0.0011552200000000, 0.0000879800000000, -0.0001908700000000 ] - [ -0.0020634500000000, -0.0000322600000000, -0.0003014300000000 ] - [ 0.0008595000000000, 0.0000955500000000, 0.0000588900000000 ] - [ 0.0012453900000000, -0.0002013300000000, -0.0001289700000000 ] - [ -0.0221237700000000, -0.0165929200000000, -0.0151540800000000 ] - [ 0.0011247300000000, 0.0001592400000000, 0.0001089400000000 ] - [ 0.0047701500000000, -0.0019886000000000, -0.0024329000000000 ] - [ 0.0006696900000000, -0.0008164500000000, 0.0004192000000000 ] - [ 0.0009923100000000, 0.0000119500000000, 0.0000975300000000 ] - [ 0.0006303900000000, 0.0007077100000000, -0.0010987900000000 ] - [ 0.0009510400000000, 0.0000065300000000, 0.0000262500000000 ] - [ -0.0204708500000000, -0.0013552800000000, 0.0021878800000000 ] - [ 0.0023802200000000, 0.0007436600000000, -0.0006985300000000 ] - [ -0.0173187000000000, 0.0020238600000000, 0.0002327900000000 ] - [ 0.0019139100000000, -0.0002161100000000, -0.0000526700000000 ] - [ -0.0043433800000000, -0.0003627600000000, 0.0014415000000000 ] - [ 0.0017922400000000, 0.0004583800000000, -0.0007739700000000 ] - [ 0.0023751000000000, -0.0003820000000000, -0.0008276500000000 ] - [ -0.0034390500000000, -0.0011965800000000, -0.0001627900000000 ] - [ 0.0018497900000000, -0.0000438200000000, 0.0002467600000000 ] - [ -0.0019790300000000, 0.0034998400000000, -0.0019633200000000 ] - [ 0.0022744600000000, -0.0007766700000000, -0.0007226600000000 ] - [ -0.0024296300000000, -0.0021365800000000, 0.0016399900000000 ] - [ 0.0014462300000000, 0.0003138900000000, 0.0002163900000000 ] - [ 0.0010429700000000, -0.0012129400000000, 0.0006852100000000 ] - [ 0.0030112200000000, 0.0002308500000000, -0.0011338100000000 ] - [ 0.0040330700000000, -0.0003109200000000, 0.0006427500000000 ] - [ 0.0036022700000000, -0.0012343300000000, 0.0005334200000000 ] - [ 0.0039880100000000, 0.0007823600000000, 0.0002435900000000 ] - [ -0.0013682900000000, 0.0038583300000000, 0.0054492600000000 ] - [ 0.0020464000000000, 0.0004855000000000, 0.0006875000000000 ] - [ -0.0017181200000000, 0.0005048600000000, 0.0011276400000000 ] - [ 0.0016128600000000, 0.0000676000000000, 0.0000810300000000 ] - [ -0.0023333200000000, -0.0036670900000000, -0.0023246600000000 ] - [ 0.0021873200000000, 0.0010732800000000, 0.0004724600000000 ] - [ 0.0037147100000000, 0.0005770800000000, -0.0000337700000000 ] - [ -0.0014466000000000, -0.0004859800000000, 0.0001893200000000 ] - [ 0.0068767000000000, -0.0013590400000000, -0.0018517000000000 ] - [ -0.0010403900000000, -0.0002269200000000, -0.0000555700000000 ] - [ 0.0018119500000000, -0.0001371100000000, -0.0006702400000000 ] - [ -0.0012046000000000, -0.0002273400000000, 0.0002490000000000 ] - [ 0.0022888400000000, -0.0010789500000000, 0.0005866800000000 ] - [ -0.0004831900000000, -0.0000874200000000, 0.0002524100000000 ] - [ 0.0690079900000000, 0.0260767800000000, 0.0225454200000000 ] - [ -0.0005892800000000, 0.0000578700000000, 0.0001376100000000 ] - [ 0.0053991900000000, 0.0004735200000000, 0.0000864900000000 ] - [ -0.0011310900000000, -0.0002227700000000, 0.0000778300000000 ] - [ 0.0010209300000000, -0.0014671500000000, -0.0006901300000000 ] - [ -0.0010522800000000, 0.0000940000000000, 0.0002604600000000 ] - [ 0.0030666800000000, -0.0002437200000000, -0.0032620200000000 ] - [ -0.0014062700000000, -0.0000776500000000, 0.0004007600000000 ] - [ -0.0013542800000000, 0.0000716700000000, 0.0006616900000000 ] - [ 0.0027455900000000, -0.0001162200000000, -0.0019819900000000 ] - [ -0.0011537300000000, 0.0000203900000000, 0.0000490000000000 ] - [ -0.0034922300000000, -0.0020731200000000, 0.0109668000000000 ] - [ -0.0012968600000000, 0.0002051800000000, 0.0001675500000000 ] - [ -0.0039408800000000, 0.0124007500000000, 0.0005643600000000 ] - [ -0.0006088700000000, 0.0003394500000000, 0.0000190400000000 ] - [ 0.0007803000000000, -0.0006559700000000, 0.0007515500000000 ] - [ -0.0003160200000000, 0.0000939900000000, -0.0000045900000000 ] - [ 0.0003717700000000, -0.0009596400000000, 0.0007047300000000 ] - [ -0.0013547900000000, 0.0000502000000000, 0.0005085200000000 ] - [ -0.0035341100000000, -0.0002914000000000, -0.0050124100000000 ] - [ -0.0014209300000000, 0.0004134000000000, -0.0000137700000000 ] - [ -0.0029841300000000, -0.0036476400000000, 0.0010718700000000 ] - [ -0.0012008100000000, 0.0000176400000000, 0.0000837600000000 ] - [ 0.0001079200000000, 0.0008949300000000, -0.0000555500000000 ] - [ -0.0016941100000000, 0.0004408800000000, 0.0001759700000000 ] - [ -0.0006925300000000, -0.0004558800000000, -0.0001241500000000 ] - [ -0.0011267600000000, -0.0001176100000000, 0.0001272600000000 ] - [ -0.0008488000000000, 0.0003282400000000, -0.0004672400000000 ] - [ -0.0012109400000000, 0.0002088000000000, -0.0004703100000000 ] - [ -0.0004641000000000, -0.0002770800000000, 0.0005593300000000 ] - [ -0.0017583200000000, 0.0003074800000000, 0.0003552600000000 ] - [ -0.0017661700000000, -0.0003507800000000, -0.0003651600000000 ] - [ -0.0003841900000000, -0.0003065400000000, 0.0003953900000000 ] - [ -0.0003890800000000, 0.0006893400000000, -0.0004736900000000 ] - [ -0.0001148700000000, -0.0004897400000000, -0.0000345800000000 ] - [ -0.0007979300000000, 0.0002317800000000, 0.0000217800000000 ] - [ -0.0004481200000000, 0.0003710000000000, 0.0003198400000000 ] - [ -0.0011215500000000, -0.0004198700000000, -0.0003683700000000 ] - [ -0.0006874900000000, -0.0001345000000000, -0.0002998700000000 ] - [ -0.0013590600000000, 0.0002959800000000, 0.0001385300000000 ] - [ -0.0031106500000000, 0.0030315000000000, 0.0006855200000000 ] - [ -0.0017053200000000, -0.0001415100000000, -0.0002098000000000 ] - [ 0.0001041700000000, -0.0009768400000000, -0.0014674600000000 ] - [ -0.0006699200000000, 0.0000706800000000, -0.0002599800000000 ] - [ -0.0027173700000000, 0.0017926900000000, 0.0030833400000000 ] - [ -0.0014025100000000, -0.0006422200000000, -0.0002426100000000 ] - [ 0.0002030100000000, 0.0004688600000000, 0.0002421900000000 ] - [ -0.0004559500000000, -0.0002440500000000, -0.0002104400000000 ] - [ 0.0007727500000000, -0.0014070900000000, -0.0012114100000000 ] - [ -0.0004350800000000, -0.0000975800000000, -0.0000910500000000 ] - [ -0.0049767500000000, -0.0109157300000000, -0.0034298000000000 ] - [ -0.0011206900000000, -0.0000814400000000, -0.0001944600000000 ] - [ 0.0013823500000000, 0.0002913400000000, 0.0000946900000000 ] - [ -0.0009412000000000, -0.0003559100000000, 0.0000504600000000 ] - [ -0.0031195400000000, -0.0015325000000000, -0.0105524200000000 ] - [ -0.0014918700000000, -0.0001972500000000, -0.0000604300000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002848700000000, -0.0000699500000000, -0.0001313400000000 ] - [ 0.0001699800000000, -0.0007253900000000, 0.0006296700000000 ] - [ -0.0003565300000000, -0.0003505200000000, 0.0002212400000000 ] - [ 0.0002295500000000, -0.0001429200000000, -0.0002010100000000 ] - [ 0.0052685600000000, 0.0064224900000000, -0.0009936900000000 ] - [ -0.0002499500000000, 0.0002350500000000, -0.0000428300000000 ] - [ -0.0003171100000000, 0.0030875900000000, 0.0014429600000000 ] - [ -0.0000088700000000, 0.0002341200000000, -0.0000312900000000 ] - [ 0.0005862800000000, -0.0088649100000000, -0.0013187900000000 ] - [ -0.0000677900000000, -0.0001332200000000, 0.0000273100000000 ] - [ 0.0025558900000000, -0.0007585300000000, -0.0011270700000000 ] - [ -0.0004523200000000, -0.0001564200000000, 0.0001096900000000 ] - [ -0.0000206000000000, 0.0000616700000000, -0.0000572800000000 ] - [ 0.0140500900000000, 0.0209598000000000, 0.0152623000000000 ] - [ -0.0007946400000000, 0.0007215500000000, 0.0002383300000000 ] - [ 0.0002031400000000, 0.0045364600000000, -0.0017202700000000 ] - [ 0.0010125700000000, -0.0005081700000000, 0.0007433600000000 ] - [ -0.0007380700000000, 0.0000253100000000, 0.0000142800000000 ] - [ -0.0031287900000000, -0.0015472500000000, 0.0016023200000000 ] - [ 0.0007601900000000, 0.0002680100000000, 0.0004405300000000 ] - [ 0.0017632200000000, 0.0252109100000000, 0.0242876900000000 ] - [ -0.0003459100000000, 0.0000843000000000, 0.0001394500000000 ] - [ 0.0039314800000000, 0.0981630400000000, -0.0076854600000000 ] - [ -0.0002913600000000, -0.0000051600000000, 0.0000060700000000 ] - [ -0.0012564300000000, -0.0171465900000000, 0.0072744900000000 ] - [ -0.0006496600000000, -0.0003450000000000, 0.0000484600000000 ] - [ -0.0000641600000000, 0.0006025800000000, -0.0000838700000000 ] - [ -0.0033972800000000, 0.0027889300000000, 0.0020169100000000 ] - [ 0.0000369500000000, -0.0002117100000000, 0.0003211800000000 ] - [ -0.0084827800000000, -0.0072772200000000, 0.0014332600000000 ] - [ -0.0008018800000000, -0.0003418000000000, 0.0001688600000000 ] - [ 0.0115219500000000, -0.0140313500000000, -0.0030320800000000 ] - [ -0.0017124900000000, 0.0012658100000000, -0.0008330100000000 ] - [ -0.0002773900000000, 0.0012497300000000, -0.0000786700000000 ] - [ 0.0010763000000000, 0.0018462500000000, -0.0005127400000000 ] - [ -0.0027960300000000, 0.0009596800000000, 0.0009054100000000 ] - [ 0.0037068800000000, -0.0008145000000000, 0.0001289300000000 ] - [ -0.0025011100000000, -0.0024339300000000, -0.0011939600000000 ] - [ -0.0064828800000000, 0.0062829400000000, -0.0102989300000000 ] - [ -0.0000810900000000, 0.0001508300000000, -0.0002233700000000 ] - [ -0.0021546900000000, -0.0032141900000000, 0.0000305000000000 ] - [ -0.0003114500000000, -0.0002795800000000, 0.0001056300000000 ] - [ 0.0031003400000000, -0.0038271600000000, -0.0042501800000000 ] - [ -0.0005919000000000, -0.0007353300000000, -0.0001832600000000 ] - [ -0.0014159500000000, 0.0125211700000000, 0.0057395000000000 ] - [ 0.0004624700000000, 0.0001468700000000, 0.0000310900000000 ] - [ 0.0027704500000000, 0.0054050100000000, 0.0206233500000000 ] - [ 0.0002162400000000, -0.0000214600000000, -0.0000389100000000 ] - [ 0.0011409900000000, 0.0016926500000000, -0.0027049600000000 ] - [ 0.0001654800000000, -0.0000502700000000, -0.0000432200000000 ] - [ 0.0012501800000000, 0.0113588500000000, -0.0195906600000000 ] - [ 0.0000263600000000, 0.0000235300000000, 0.0000199200000000 ] - [ -0.0269012900000000, -0.2040435300000000, -0.0164560200000000 ] - [ 0.0001544300000000, 0.0000655700000000, -0.0000339300000000 ] - [ 0.0046637700000000, 0.0104105000000000, -0.0141252800000000 ] - [ 0.0002077700000000, -0.0000405900000000, -0.0001028900000000 ] - [ -0.0041371400000000, 0.0240486300000000, 0.0009832400000000 ] - [ 0.0002580000000000, 0.0001641500000000, 0.0000379500000000 ] - [ 0.0031450300000000, -0.0023371700000000, -0.0090751000000000 ] - [ 0.0002817800000000, -0.0000577500000000, -0.0001537600000000 ] - [ 0.0003228200000000, 0.0000860800000000, 0.0000174300000000 ] - [ -0.0023844600000000, 0.0020566500000000, -0.0010767000000000 ] - [ 0.0001596400000000, -0.0001158700000000, -0.0001366800000000 ] - [ 0.0046611200000000, -0.0012342000000000, -0.0044284700000000 ] - [ 0.0003153000000000, 0.0000498400000000, -0.0000588300000000 ] - [ -0.0162378100000000, 0.0096926200000000, 0.0023324400000000 ] - [ 0.0001233400000000, 0.0004295000000000, -0.0001078100000000 ] - [ -0.0008686200000000, 0.0051954800000000, 0.0027617300000000 ] - [ 0.0001052900000000, -0.0001068800000000, -0.0002191200000000 ] - [ 0.0008962900000000, 0.0006426800000000, -0.0014198500000000 ] - [ -0.0000451400000000, -0.0002139500000000, 0.0002214500000000 ] - [ 0.0037849000000000, -0.0016110700000000, 0.0011034600000000 ] - [ -0.0005376000000000, 0.0003816600000000, -0.0000377700000000 ] - [ 0.0045711200000000, 0.0098313600000000, 0.0003355100000000 ] - [ 0.0008527100000000, -0.0006396700000000, -0.0000042200000000 ] - [ -0.0004376900000000, -0.0026004400000000, 0.0000836400000000 ] - [ 0.0007853500000000, 0.0015936300000000, 0.0000654900000000 ] - [ -0.0029816300000000, 0.0031781200000000, 0.0006390700000000 ] - [ -0.0001650900000000, -0.0008353500000000, 0.0000966400000000 ] - [ 0.0015222100000000, -0.0009592100000000, -0.0003683800000000 ] - [ -0.0004370500000000, 0.0002342700000000, -0.0003802400000000 ] - [ 0.0016848200000000, 0.0004437300000000, 0.0007297800000000 ] - [ -0.0004365300000000, -0.0011194800000000, 0.0000906000000000 ] - [ 0.0004034300000000, -0.0003286800000000, -0.0002717500000000 ] - [ 0.0006926300000000, -0.0013143300000000, 0.0000338200000000 ] - [ -0.0000974700000000, -0.0011450200000000, -0.0004759000000000 ] - [ 0.0007998800000000, -0.0001411800000000, 0.0001946500000000 ] - [ -0.0000551000000000, -0.0003163700000000, -0.0000313900000000 ] - [ -0.0006102100000000, -0.0000592000000000, 0.0006404900000000 ] - [ 0.0002561000000000, 0.0005191900000000, -0.0000088400000000 ] - [ 0.0022700600000000, -0.0006428200000000, 0.0012721000000000 ] - [ -0.0003218500000000, -0.0002979200000000, 0.0008003400000000 ] - [ -0.0056121300000000, 0.0043168700000000, 0.0013163600000000 ] - [ 0.0005020300000000, 0.0005284100000000, 0.0000154800000000 ] - [ 0.0014654400000000, -0.0003313100000000, 0.0012175100000000 ] - [ 0.0002457400000000, -0.0000843800000000, 0.0001793800000000 ] - [ -0.0021378000000000, -0.0007694400000000, 0.0014094700000000 ] - [ 0.0007774000000000, 0.0001816500000000, -0.0000939200000000 ] - [ -0.0002657500000000, 0.0024925800000000, 0.0005718200000000 ] - [ 0.0001531800000000, 0.0003010700000000, 0.0000166300000000 ] - [ 0.0009503400000000, 0.0020020400000000, 0.0014401600000000 ] - [ 0.0001196600000000, 0.0000820800000000, 0.0000982900000000 ] - [ 0.0164098900000000, 0.0045688300000000, 0.0071851100000000 ] - [ 0.0000715600000000, -0.0001494200000000, 0.0000225500000000 ] - [ 0.0015280300000000, 0.0032956800000000, -0.0007534400000000 ] - [ 0.0000343300000000, 0.0001310000000000, 0.0000018900000000 ] - [ -0.0068150000000000, -0.0075873000000000, -0.0036779900000000 ] - [ 0.0003384300000000, -0.0001539100000000, -0.0000520400000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000098400000000, 0.0003971800000000, 0.0001286000000000 ] - [ -0.0004548300000000, 0.0010618400000000, -0.0006425500000000 ] - [ 0.0005569400000000, 0.0006106000000000, 0.0000050900000000 ] - [ -0.0000358600000000, 0.0004018300000000, 0.0004333600000000 ] - [ -0.0055972400000000, -0.0061397200000000, 0.0007905500000000 ] - [ 0.0000553200000000, 0.0000233500000000, -0.0001857300000000 ] - [ 0.0005961800000000, -0.0028065800000000, -0.0014592400000000 ] - [ 0.0002893200000000, 0.0000909500000000, 0.0000360000000000 ] - [ -0.0003744000000000, 0.0089095500000000, 0.0013649300000000 ] - [ 0.0002443900000000, 0.0001562000000000, -0.0000315100000000 ] - [ -0.0027517500000000, 0.0006797500000000, 0.0012189400000000 ] - [ 0.0002726500000000, 0.0001044300000000, -0.0000114300000000 ] - [ 0.0002034700000000, -0.0001108600000000, -0.0000417600000000 ] - [ -0.0129064900000000, -0.0201073300000000, -0.0142661500000000 ] - [ 0.0006183200000000, -0.0007035500000000, -0.0002322400000000 ] - [ -0.0003251600000000, -0.0045781500000000, 0.0017330500000000 ] - [ -0.0010590500000000, 0.0005665400000000, -0.0006540200000000 ] - [ 0.0007220600000000, 0.0000143200000000, 0.0000928100000000 ] - [ 0.0031889300000000, 0.0015870300000000, -0.0017145200000000 ] - [ -0.0007479100000000, -0.0002412600000000, -0.0005511600000000 ] - [ -0.0014805200000000, -0.0251107200000000, -0.0247294600000000 ] - [ 0.0006162300000000, -0.0000009500000000, -0.0001745400000000 ] - [ -0.0040278200000000, -0.1060286100000000, 0.0086511000000000 ] - [ 0.0003252800000000, -0.0001789900000000, -0.0000901000000000 ] - [ 0.0007719800000000, 0.0171882000000000, -0.0074706400000000 ] - [ 0.0001613300000000, 0.0002066900000000, -0.0001307500000000 ] - [ 0.0005547900000000, -0.0007472200000000, 0.0001612200000000 ] - [ 0.0039858000000000, -0.0029297300000000, -0.0019798800000000 ] - [ -0.0000669200000000, 0.0000293000000000, -0.0002328300000000 ] - [ 0.0084465700000000, 0.0072207000000000, -0.0012938700000000 ] - [ 0.0005461900000000, 0.0004247100000000, -0.0001313300000000 ] - [ -0.0119415000000000, 0.0141916100000000, 0.0031217300000000 ] - [ 0.0017536900000000, -0.0014001500000000, 0.0010397500000000 ] - [ 0.0003257600000000, -0.0013901900000000, 0.0002902700000000 ] - [ -0.0009888400000000, -0.0018637500000000, 0.0002490800000000 ] - [ 0.0029573900000000, -0.0009713800000000, -0.0011899500000000 ] - [ -0.0034209500000000, 0.0008832500000000, -0.0002873600000000 ] - [ 0.0027703600000000, 0.0025372700000000, 0.0010281800000000 ] - [ 0.0061789600000000, -0.0063626600000000, 0.0105320300000000 ] - [ -0.0001955600000000, -0.0000986500000000, 0.0003980600000000 ] - [ 0.0020982200000000, 0.0032176200000000, 0.0002035400000000 ] - [ 0.0002102300000000, 0.0002738500000000, 0.0001590700000000 ] - [ -0.0030899000000000, 0.0037894300000000, 0.0040385400000000 ] - [ 0.0005669000000000, 0.0006308900000000, -0.0000281900000000 ] - [ 0.0015315600000000, -0.0127344100000000, -0.0056045100000000 ] - [ -0.0003230200000000, -0.0002941500000000, 0.0000625200000000 ] - [ -0.0026686100000000, -0.0053033200000000, -0.0209248000000000 ] - [ -0.0001207600000000, 0.0000797900000000, -0.0000324500000000 ] - [ -0.0013222900000000, -0.0019279500000000, 0.0027245500000000 ] - [ -0.0003196000000000, -0.0001756000000000, -0.0000016200000000 ] - [ -0.0013995000000000, -0.0114914700000000, 0.0201263500000000 ] - [ -0.0001417200000000, -0.0000604300000000, 0.0001205300000000 ] - [ 0.0262416400000000, 0.2113996300000000, 0.0145028700000000 ] - [ -0.0000503000000000, 0.0002406200000000, 0.0000430300000000 ] - [ -0.0045009900000000, -0.0103867900000000, 0.0138135000000000 ] - [ -0.0000802800000000, 0.0000131300000000, -0.0000069600000000 ] - [ 0.0043374600000000, -0.0243135800000000, -0.0008467000000000 ] - [ -0.0001293700000000, -0.0000286300000000, 0.0001136000000000 ] - [ -0.0032248600000000, 0.0024498000000000, 0.0091263200000000 ] - [ -0.0002803900000000, 0.0000829300000000, 0.0000198500000000 ] - [ -0.0003296600000000, -0.0000607600000000, 0.0001187300000000 ] - [ 0.0024293800000000, -0.0020497300000000, 0.0012144700000000 ] - [ -0.0002934600000000, 0.0002511200000000, -0.0000131300000000 ] - [ -0.0048957500000000, 0.0013048900000000, 0.0043874200000000 ] - [ -0.0004486800000000, -0.0000747600000000, 0.0001684300000000 ] - [ 0.0163385800000000, -0.0097172000000000, -0.0022702700000000 ] - [ -0.0002301200000000, -0.0001225300000000, 0.0000970700000000 ] - [ 0.0007742200000000, -0.0049335000000000, -0.0028076300000000 ] - [ 0.0000085800000000, 0.0000691200000000, 0.0000775800000000 ] - [ -0.0007823200000000, -0.0007341700000000, 0.0012648200000000 ] - [ 0.0001989700000000, -0.0000136500000000, -0.0001746500000000 ] - [ -0.0037076400000000, 0.0013756700000000, -0.0010891100000000 ] - [ 0.0004352500000000, -0.0003261700000000, 0.0001071300000000 ] - [ -0.0046343900000000, -0.0098219700000000, -0.0002831100000000 ] - [ -0.0010044700000000, 0.0005002500000000, -0.0000872900000000 ] - [ 0.0002813500000000, 0.0024971000000000, -0.0001740200000000 ] - [ -0.0007387100000000, -0.0015662800000000, 0.0001242400000000 ] - [ 0.0030875800000000, -0.0031746300000000, -0.0004519300000000 ] - [ 0.0002020300000000, 0.0006552300000000, -0.0002874100000000 ] - [ -0.0015230500000000, 0.0007805900000000, 0.0001767000000000 ] - [ 0.0002966800000000, -0.0003206900000000, 0.0004744700000000 ] - [ -0.0018332300000000, -0.0005379500000000, -0.0006455800000000 ] - [ 0.0002590200000000, 0.0010913300000000, -0.0000305200000000 ] - [ -0.0006023800000000, 0.0002948400000000, 0.0003425300000000 ] - [ -0.0006255900000000, 0.0013672300000000, 0.0000015700000000 ] - [ 0.0001710300000000, 0.0012010400000000, 0.0005179100000000 ] - [ -0.0008960900000000, -0.0001077400000000, -0.0000675600000000 ] - [ -0.0000290900000000, 0.0000698500000000, 0.0001570400000000 ] - [ 0.0003915000000000, 0.0000119600000000, -0.0005949600000000 ] - [ -0.0004708800000000, -0.0005710900000000, 0.0000622200000000 ] - [ -0.0021464400000000, 0.0008011900000000, -0.0011473400000000 ] - [ 0.0004487700000000, 0.0004517400000000, -0.0006796900000000 ] - [ 0.0054486600000000, -0.0041804200000000, -0.0014525000000000 ] - [ -0.0006252900000000, -0.0003863200000000, -0.0001451900000000 ] - [ -0.0012597300000000, 0.0003143800000000, -0.0012560300000000 ] - [ -0.0000386700000000, 0.0000492300000000, -0.0002301900000000 ] - [ 0.0022570700000000, 0.0004781600000000, -0.0015640200000000 ] - [ -0.0007068100000000, -0.0004455700000000, -0.0000293100000000 ] - [ 0.0001901800000000, -0.0024803800000000, -0.0005971800000000 ] - [ -0.0002268800000000, -0.0002650500000000, -0.0000513800000000 ] - [ -0.0007706400000000, -0.0020164200000000, -0.0015034800000000 ] - [ 0.0000684900000000, -0.0001057300000000, -0.0001644200000000 ] - [ -0.0164987500000000, -0.0046187000000000, -0.0073691100000000 ] - [ 0.0000729900000000, 0.0000717200000000, -0.0001243100000000 ] - [ -0.0015913400000000, -0.0035146800000000, 0.0009671400000000 ] - [ -0.0000632200000000, -0.0003196300000000, 0.0001946500000000 ] - [ 0.0069020600000000, 0.0076645500000000, 0.0035964500000000 ] - [ -0.0004005500000000, 0.0001883300000000, -0.0001420000000000 ]- atom: 53 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ 0.0000305400000000, 0.0000384100000000, -0.0001656300000000 ] - [ -0.0003465500000000, 0.0005931600000000, -0.0008426300000000 ] - [ -0.0000210500000000, -0.0000644600000000, 0.0002473800000000 ] - [ 0.0002758300000000, 0.0002729300000000, 0.0003406500000000 ] - [ 0.0023746300000000, -0.0005828000000000, 0.0061517700000000 ] - [ -0.0000587300000000, 0.0001223400000000, -0.0000878000000000 ] - [ 0.0002757300000000, -0.0003958000000000, -0.0043748800000000 ] - [ 0.0002696200000000, 0.0001896000000000, -0.0000430200000000 ] - [ -0.0008686600000000, 0.0019994400000000, 0.0039789800000000 ] - [ 0.0002752100000000, 0.0000187000000000, 0.0001055700000000 ] - [ 0.0009833400000000, -0.0018010700000000, -0.0013959900000000 ] - [ 0.0000197800000000, -0.0000558200000000, 0.0000482700000000 ] - [ 0.0004147300000000, -0.0000564100000000, -0.0000012700000000 ] - [ 0.0124140000000000, 0.0169961900000000, 0.0213682400000000 ] - [ -0.0003719000000000, 0.0002098000000000, 0.0006029100000000 ] - [ 0.0005520700000000, -0.0019277900000000, 0.0030177100000000 ] - [ -0.0020985900000000, 0.0018982400000000, -0.0015851700000000 ] - [ 0.0008923000000000, 0.0000552700000000, 0.0000035500000000 ] - [ 0.0012482700000000, 0.0002909300000000, 0.0000234400000000 ] - [ -0.0003051100000000, -0.0001446300000000, -0.0002734700000000 ] - [ 0.0065243900000000, -0.0062593600000000, 0.0096565800000000 ] - [ 0.0006367900000000, 0.0002293600000000, -0.0000997600000000 ] - [ -0.0002709800000000, 0.0091168400000000, 0.0196404200000000 ] - [ 0.0003515600000000, -0.0001315800000000, 0.0000376200000000 ] - [ -0.0009092300000000, 0.0033207800000000, -0.0044116600000000 ] - [ 0.0001904200000000, -0.0000517200000000, -0.0003270800000000 ] - [ 0.0005857800000000, 0.0001274700000000, -0.0006809500000000 ] - [ 0.0125776800000000, -0.0006287100000000, -0.0121057400000000 ] - [ 0.0001322800000000, -0.0000585200000000, 0.0001658800000000 ] - [ 0.0078014100000000, 0.0069282900000000, 0.0031578400000000 ] - [ 0.0005414700000000, -0.0003436500000000, 0.0000543100000000 ] - [ -0.0049191300000000, 0.0028999000000000, 0.0038966500000000 ] - [ -0.0007762500000000, -0.0000236500000000, -0.0018360000000000 ] - [ 0.0018509800000000, -0.0011162800000000, -0.0006275300000000 ] - [ 0.0038750300000000, 0.0009808800000000, -0.0008547400000000 ] - [ -0.0018707800000000, 0.0002267500000000, -0.0014727900000000 ] - [ 0.0015422600000000, -0.0002138800000000, 0.0017620900000000 ] - [ -0.0008396000000000, 0.0009345200000000, 0.0017633300000000 ] - [ -0.0073559200000000, -0.0079994500000000, 0.0044008700000000 ] - [ 0.0005218500000000, 0.0000696100000000, 0.0006156100000000 ] - [ 0.0008933800000000, -0.0015654600000000, -0.0037544800000000 ] - [ 0.0006008100000000, -0.0001273800000000, -0.0000968600000000 ] - [ 0.0053551700000000, -0.0024841200000000, -0.0029623000000000 ] - [ 0.0002175600000000, 0.0000341900000000, -0.0003677500000000 ] - [ -0.0032017900000000, 0.0043540300000000, 0.0038360400000000 ] - [ -0.0001774800000000, -0.0000873700000000, 0.0000936600000000 ] - [ 0.0045030200000000, 0.0200848400000000, 0.0098435000000000 ] - [ -0.0002182200000000, -0.0000347800000000, -0.0001288900000000 ] - [ -0.0005902100000000, 0.0002894900000000, 0.0043631500000000 ] - [ -0.0003792400000000, -0.0001039200000000, 0.0001662000000000 ] - [ -0.0011766800000000, -0.0126857800000000, 0.0073431500000000 ] - [ -0.0001449800000000, -0.0000169300000000, 0.0001114100000000 ] - [ -0.0225934200000000, -0.0159652900000000, -0.1138782600000000 ] - [ -0.0000799400000000, 0.0001171000000000, -0.0000451900000000 ] - [ -0.0041441100000000, -0.0142351700000000, 0.0042980600000000 ] - [ -0.0001459300000000, -0.0000812600000000, -0.0000889600000000 ] - [ 0.0023070500000000, -0.0079971200000000, -0.0004242800000000 ] - [ -0.0001820500000000, 0.0001076600000000, 0.0000876500000000 ] - [ -0.0110612700000000, 0.0048075600000000, 0.0237564600000000 ] - [ -0.0003099700000000, -0.0000413800000000, 0.0000972000000000 ] - [ -0.0003403000000000, 0.0000669800000000, 0.0001977600000000 ] - [ 0.0024055000000000, -0.0002929400000000, -0.0002477600000000 ] - [ -0.0001729900000000, -0.0000284700000000, -0.0000142900000000 ] - [ -0.0110397100000000, -0.0023317600000000, 0.0068308600000000 ] - [ -0.0002570400000000, 0.0001215100000000, -0.0000511800000000 ] - [ 0.0043094000000000, -0.0024670400000000, -0.0038287800000000 ] - [ -0.0000827000000000, 0.0002621600000000, -0.0001309400000000 ] - [ -0.0008050700000000, -0.0026092400000000, -0.0028214700000000 ] - [ -0.0000118100000000, 0.0000096800000000, 0.0000318100000000 ] - [ -0.0009001900000000, -0.0015878800000000, 0.0014137200000000 ] - [ -0.0008626900000000, -0.0000679100000000, 0.0006291000000000 ] - [ 0.0046323200000000, -0.0004543600000000, 0.0104787100000000 ] - [ -0.0005632100000000, 0.0001840900000000, -0.0002102700000000 ] - [ 0.0016688400000000, -0.0002787400000000, -0.0033702900000000 ] - [ 0.0000479100000000, -0.0002736900000000, 0.0001452200000000 ] - [ -0.0020708500000000, 0.0019427500000000, 0.0007413400000000 ] - [ -0.0005690800000000, 0.0002987100000000, -0.0001769800000000 ] - [ 0.0016215100000000, -0.0008064600000000, -0.0004021800000000 ] - [ 0.0001770700000000, -0.0002768700000000, 0.0013397900000000 ] - [ -0.0016972600000000, 0.0003649200000000, 0.0018636700000000 ] - [ 0.0002141500000000, -0.0003570100000000, -0.0007582700000000 ] - [ -0.0019698300000000, -0.0006072400000000, -0.0018295000000000 ] - [ -0.0004469000000000, -0.0001339300000000, -0.0009265500000000 ] - [ 0.0001136900000000, 0.0000866900000000, -0.0003014900000000 ] - [ -0.0004251300000000, -0.0006158500000000, 0.0009656200000000 ] - [ 0.0001363400000000, 0.0000164400000000, 0.0009515900000000 ] - [ -0.0001280400000000, 0.0003144400000000, 0.0005830100000000 ] - [ -0.0004633300000000, 0.0001960000000000, 0.0002648400000000 ] - [ -0.0014595700000000, 0.0002132400000000, -0.0004934000000000 ] - [ -0.0000099600000000, -0.0000985500000000, 0.0000328300000000 ] - [ 0.0020453600000000, 0.0007374700000000, 0.0003251000000000 ] - [ -0.0004736400000000, 0.0003744200000000, -0.0003581600000000 ] - [ -0.0015209900000000, 0.0006293100000000, -0.0019895700000000 ] - [ 0.0000190800000000, -0.0000188800000000, -0.0002207600000000 ] - [ 0.0010451300000000, 0.0015879000000000, 0.0019147100000000 ] - [ -0.0003875600000000, 0.0000926000000000, -0.0001731000000000 ] - [ -0.0056653600000000, 0.0012797200000000, 0.0032907700000000 ] - [ 0.0000749800000000, -0.0001957800000000, 0.0001924400000000 ] - [ -0.0000531000000000, 0.0001047900000000, 0.0028657000000000 ] - [ -0.0002540000000000, -0.0000146900000000, 0.0002112100000000 ] - [ 0.0009212700000000, 0.0014272700000000, 0.0007293400000000 ] - [ -0.0000597100000000, -0.0000024500000000, -0.0001166700000000 ] - [ -0.0043772000000000, -0.0013513800000000, -0.0073309300000000 ] - [ -0.0000659500000000, -0.0000008900000000, -0.0002691000000000 ] - [ -0.0015560200000000, 0.0002587600000000, 0.0016525600000000 ] - [ -0.0001412700000000, -0.0001003300000000, 0.0002958300000000 ] - [ 0.0142455000000000, 0.0043667000000000, 0.0061506700000000 ] - [ -0.0004647000000000, 0.0000030800000000, -0.0001796200000000 ]- atom: 53 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ -0.0003089100000000, 0.0002869400000000, 0.0001634200000000 ] - [ 0.0000697400000000, -0.0002756200000000, 0.0008495400000000 ] - [ 0.0002171900000000, 0.0003232100000000, -0.0000248400000000 ] - [ -0.0000792700000000, -0.0000159600000000, -0.0001206800000000 ] - [ -0.0026636400000000, 0.0008689400000000, -0.0063970300000000 ] - [ -0.0001381300000000, 0.0001359000000000, -0.0001396100000000 ] - [ 0.0000270800000000, 0.0007480700000000, 0.0043983500000000 ] - [ 0.0000062400000000, 0.0001358300000000, 0.0000481800000000 ] - [ 0.0010434400000000, -0.0019936200000000, -0.0040489100000000 ] - [ -0.0000995300000000, 0.0000030000000000, -0.0001130000000000 ] - [ -0.0011733400000000, 0.0017635100000000, 0.0014899900000000 ] - [ -0.0002048400000000, 0.0000053800000000, 0.0000504400000000 ] - [ -0.0002360300000000, 0.0000068300000000, -0.0000972500000000 ] - [ -0.0114829200000000, -0.0161165800000000, -0.0209445300000000 ] - [ 0.0001930900000000, -0.0001852100000000, -0.0006066900000000 ] - [ -0.0006871700000000, 0.0019737600000000, -0.0030696300000000 ] - [ 0.0021001600000000, -0.0018905400000000, 0.0016996600000000 ] - [ -0.0009303800000000, -0.0000238600000000, 0.0000956300000000 ] - [ -0.0012459300000000, -0.0002652200000000, -0.0001030600000000 ] - [ 0.0003367300000000, 0.0001828200000000, 0.0001796700000000 ] - [ -0.0064536100000000, 0.0067962600000000, -0.0125253400000000 ] - [ -0.0003767000000000, -0.0001504400000000, 0.0000637300000000 ] - [ 0.0003075500000000, -0.0092298000000000, -0.0199155700000000 ] - [ -0.0003274100000000, -0.0000483200000000, -0.0001207300000000 ] - [ 0.0004020200000000, -0.0034861200000000, 0.0044352400000000 ] - [ -0.0006895500000000, -0.0000894100000000, 0.0002514200000000 ] - [ -0.0000942200000000, -0.0002711900000000, 0.0007602200000000 ] - [ -0.0122696700000000, 0.0004854600000000, 0.0122514200000000 ] - [ -0.0001640400000000, -0.0001276600000000, -0.0000832500000000 ] - [ -0.0079148800000000, -0.0071909800000000, -0.0031560100000000 ] - [ -0.0008212700000000, 0.0004318700000000, -0.0000161700000000 ] - [ 0.0047488000000000, -0.0028999200000000, -0.0038845900000000 ] - [ 0.0008139300000000, -0.0000898900000000, 0.0020565400000000 ] - [ -0.0018514700000000, 0.0010208400000000, 0.0008387100000000 ] - [ -0.0037818100000000, -0.0009913500000000, 0.0006079500000000 ] - [ 0.0019555300000000, -0.0002386500000000, 0.0012466700000000 ] - [ -0.0012927600000000, 0.0002663900000000, -0.0019418500000000 ] - [ 0.0011574500000000, -0.0009038000000000, -0.0019433200000000 ] - [ 0.0071156800000000, 0.0081516600000000, -0.0043867200000000 ] - [ -0.0008060300000000, -0.0000149300000000, -0.0004578000000000 ] - [ -0.0010010400000000, 0.0015621000000000, 0.0040400800000000 ] - [ -0.0007162100000000, 0.0001239900000000, 0.0003636700000000 ] - [ -0.0053876500000000, 0.0023604500000000, 0.0027971400000000 ] - [ -0.0002520900000000, -0.0001591700000000, 0.0001660900000000 ] - [ 0.0033494900000000, -0.0044593900000000, -0.0037671700000000 ] - [ 0.0003240100000000, -0.0000560700000000, -0.0000024600000000 ] - [ -0.0044532100000000, -0.0203782000000000, -0.0100260100000000 ] - [ 0.0003191300000000, 0.0000916700000000, 0.0000595400000000 ] - [ 0.0004427400000000, -0.0005185900000000, -0.0044495100000000 ] - [ 0.0002326100000000, -0.0001231200000000, -0.0002160600000000 ] - [ 0.0010463500000000, 0.0125257000000000, -0.0072204900000000 ] - [ 0.0000323100000000, -0.0000197100000000, 0.0000275200000000 ] - [ 0.0222508800000000, 0.0146548700000000, 0.1171186400000000 ] - [ 0.0001866200000000, 0.0001868100000000, 0.0000551900000000 ] - [ 0.0043332100000000, 0.0144963700000000, -0.0043981800000000 ] - [ 0.0002784100000000, 0.0000564100000000, -0.0000208900000000 ] - [ -0.0022070900000000, 0.0083612400000000, 0.0006060600000000 ] - [ 0.0003167600000000, 0.0000260000000000, 0.0000618900000000 ] - [ 0.0112413700000000, -0.0048775400000000, -0.0243247500000000 ] - [ 0.0003164400000000, 0.0000670500000000, -0.0002319800000000 ] - [ 0.0003417600000000, -0.0000414600000000, -0.0000675800000000 ] - [ -0.0024090900000000, 0.0003269800000000, 0.0003506000000000 ] - [ 0.0000430100000000, 0.0001649100000000, -0.0001349700000000 ] - [ 0.0110898000000000, 0.0024946000000000, -0.0070130900000000 ] - [ 0.0001300700000000, -0.0001511400000000, 0.0001622900000000 ] - [ -0.0045778200000000, 0.0025780300000000, 0.0039599100000000 ] - [ -0.0000218900000000, 0.0000447600000000, 0.0001229800000000 ] - [ 0.0007074000000000, 0.0029593000000000, 0.0028594300000000 ] - [ 0.0001263200000000, -0.0000449600000000, -0.0001741900000000 ] - [ 0.0010297100000000, 0.0015869800000000, -0.0015498600000000 ] - [ 0.0010163400000000, -0.0001588600000000, -0.0005854600000000 ] - [ -0.0044417900000000, 0.0002352800000000, -0.0105007500000000 ] - [ 0.0004726200000000, -0.0001285100000000, 0.0002824400000000 ] - [ -0.0018175400000000, 0.0003343900000000, 0.0034745900000000 ] - [ -0.0001944700000000, 0.0001301000000000, -0.0002390700000000 ] - [ 0.0019570100000000, -0.0021244300000000, -0.0008350300000000 ] - [ 0.0006408300000000, -0.0002634800000000, 0.0003701400000000 ] - [ -0.0016031700000000, 0.0008559000000000, 0.0005986600000000 ] - [ -0.0001549600000000, 0.0000885100000000, -0.0015466600000000 ] - [ 0.0017593200000000, -0.0005598600000000, -0.0020758200000000 ] - [ -0.0003609200000000, 0.0002813300000000, 0.0008685000000000 ] - [ 0.0018475600000000, 0.0005361300000000, 0.0019572200000000 ] - [ 0.0002686300000000, 0.0001087700000000, 0.0009883200000000 ] - [ -0.0003094300000000, -0.0001095200000000, 0.0003543500000000 ] - [ 0.0005027800000000, 0.0006535800000000, -0.0009428400000000 ] - [ -0.0000630800000000, 0.0000168200000000, -0.0009325600000000 ] - [ 0.0000431400000000, -0.0005718300000000, -0.0004628700000000 ] - [ 0.0003862700000000, -0.0004566400000000, -0.0001422500000000 ] - [ 0.0012512100000000, -0.0002493500000000, 0.0005357300000000 ] - [ -0.0002028300000000, 0.0000679400000000, 0.0000062000000000 ] - [ -0.0019300300000000, -0.0006017700000000, -0.0001859000000000 ] - [ 0.0006023300000000, -0.0002316400000000, 0.0005017500000000 ] - [ 0.0014333900000000, -0.0004999400000000, 0.0018529600000000 ] - [ -0.0001549900000000, 0.0001691400000000, 0.0000872600000000 ] - [ -0.0008424500000000, -0.0016433900000000, -0.0019647300000000 ] - [ 0.0006079800000000, -0.0001325100000000, 0.0001287900000000 ] - [ 0.0057317400000000, -0.0015341200000000, -0.0034289200000000 ] - [ 0.0000160500000000, -0.0000521900000000, -0.0003205700000000 ] - [ -0.0000201600000000, -0.0000578900000000, -0.0029246600000000 ] - [ 0.0001858900000000, 0.0000539300000000, -0.0002495500000000 ] - [ -0.0007409400000000, -0.0014596400000000, -0.0007779000000000 ] - [ 0.0002494400000000, -0.0000230700000000, 0.0000552500000000 ] - [ 0.0046781500000000, 0.0013737000000000, 0.0073367200000000 ] - [ 0.0002111600000000, -0.0000811600000000, 0.0001716700000000 ] - [ 0.0015343200000000, -0.0004354100000000, -0.0014812600000000 ] - [ 0.0001135100000000, -0.0000853600000000, -0.0001068800000000 ] - [ -0.0145983000000000, -0.0044020400000000, -0.0063990800000000 ] - [ 0.0004119900000000, 0.0000306100000000, -0.0000118100000000 ]- atom: 55 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ -0.0011304900000000, 0.0003106100000000, -0.0001587300000000 ] - [ -0.0002893900000000, -0.0013656000000000, 0.0014249600000000 ] - [ -0.0010808900000000, -0.0000083200000000, 0.0003664200000000 ] - [ -0.0015513600000000, -0.0012530900000000, 0.0004813400000000 ] - [ -0.0007568000000000, -0.0010311800000000, 0.0015625900000000 ] - [ -0.0010226000000000, 0.0007090900000000, 0.0000604100000000 ] - [ 0.0009390200000000, 0.0000628000000000, -0.0003025100000000 ] - [ -0.0008148900000000, 0.0001561400000000, -0.0001393300000000 ] - [ 0.0270281100000000, -0.0189861300000000, -0.0149879300000000 ] - [ -0.0025370600000000, -0.0004247600000000, 0.0002412500000000 ] - [ 0.0064001700000000, -0.0022931500000000, 0.0011581200000000 ] - [ -0.0020837200000000, -0.0002665600000000, 0.0000522700000000 ] - [ -0.0020466400000000, 0.0002221200000000, 0.0001132200000000 ] - [ 0.0063154200000000, 0.0011132700000000, 0.0001452100000000 ] - [ -0.0021550500000000, -0.0001206100000000, 0.0003087800000000 ] - [ 0.0002274200000000, 0.0019479800000000, -0.0017378100000000 ] - [ -0.0055671400000000, -0.0008106400000000, -0.0026472200000000 ] - [ -0.0033805700000000, 0.0020861000000000, 0.0018114400000000 ] - [ -0.0005768100000000, 0.0000632800000000, 0.0002256100000000 ] - [ -0.0010994700000000, -0.0004089200000000, -0.0001331400000000 ] - [ 0.0260418300000000, -0.0143008700000000, -0.0069569000000000 ] - [ -0.0046283000000000, -0.0013356900000000, 0.0013551100000000 ] - [ 0.0075346800000000, -0.0035716100000000, 0.0028900500000000 ] - [ -0.0034323400000000, 0.0001372100000000, -0.0001067800000000 ] - [ 0.0075048700000000, 0.0001223300000000, -0.0016240500000000 ] - [ -0.0042908900000000, -0.0011833900000000, 0.0014134800000000 ] - [ -0.0037492400000000, 0.0005328200000000, 0.0013098300000000 ] - [ 0.0133002800000000, 0.0116725300000000, 0.0041194500000000 ] - [ -0.0044645900000000, -0.0003593000000000, -0.0003236800000000 ] - [ 0.0494496300000000, 0.0061859000000000, -0.0047527000000000 ] - [ -0.0046345200000000, 0.0017279100000000, 0.0015493400000000 ] - [ 0.0090097900000000, -0.0079270400000000, -0.0103429600000000 ] - [ -0.0033326500000000, 0.0008808600000000, -0.0010932900000000 ] - [ -0.0009554100000000, 0.0004322800000000, 0.0003241300000000 ] - [ -0.0026465200000000, -0.0007358100000000, 0.0004473600000000 ] - [ -0.0005142300000000, 0.0018590500000000, -0.0008406200000000 ] - [ -0.0079013100000000, 0.0012080600000000, -0.0003836900000000 ] - [ -0.0050530200000000, 0.0001490400000000, -0.0109970100000000 ] - [ -0.0015450900000000, -0.0033107200000000, 0.0007357600000000 ] - [ -0.0039235200000000, -0.0009310000000000, -0.0011480700000000 ] - [ 0.0010604200000000, 0.0030334100000000, -0.0062899600000000 ] - [ -0.0036750400000000, -0.0008724200000000, 0.0007215300000000 ] - [ 0.0027914200000000, -0.0001947300000000, 0.0002436400000000 ] - [ -0.0042091800000000, -0.0011552700000000, -0.0013799700000000 ] - [ -0.0040839900000000, -0.0010848000000000, -0.0002416400000000 ] - [ 0.0030532100000000, 0.0006710100000000, -0.0001535400000000 ] - [ -0.0008793200000000, 0.0065576500000000, -0.0016157000000000 ] - [ 0.0022148200000000, 0.0004442500000000, 0.0000054200000000 ] - [ -0.0044592200000000, -0.0006620100000000, 0.0018427800000000 ] - [ 0.0022824000000000, 0.0001795500000000, -0.0006057400000000 ] - [ -0.0011495100000000, 0.0006169000000000, -0.0007297600000000 ] - [ 0.0007002400000000, 0.0001937400000000, -0.0002246300000000 ] - [ -0.0052967000000000, 0.0048308300000000, -0.0043251200000000 ] - [ 0.0012478400000000, 0.0003091400000000, -0.0001920800000000 ] - [ -0.1475470000000000, 0.0257842600000000, 0.0296695100000000 ] - [ 0.0027387100000000, 0.0004763200000000, -0.0003719100000000 ] - [ -0.0065984000000000, -0.0004327200000000, -0.0010265900000000 ] - [ 0.0022441000000000, 0.0000459900000000, -0.0002802900000000 ] - [ -0.0129012900000000, 0.0015430100000000, 0.0088780400000000 ] - [ 0.0026759000000000, 0.0001397100000000, -0.0010315000000000 ] - [ 0.0027313500000000, -0.0001364900000000, -0.0010108800000000 ] - [ -0.0057888100000000, 0.0009054200000000, 0.0030490500000000 ] - [ 0.0021468900000000, 0.0002444100000000, -0.0003274200000000 ] - [ 0.0072265300000000, -0.0238623900000000, -0.0030285100000000 ] - [ 0.0022127700000000, -0.0004923300000000, -0.0002025800000000 ] - [ -0.0055982700000000, 0.0028109100000000, 0.0013524300000000 ] - [ 0.0011863600000000, -0.0002165000000000, -0.0001978200000000 ] - [ 0.0038322900000000, 0.0166095800000000, 0.0044957000000000 ] - [ 0.0009315600000000, -0.0000142600000000, -0.0001421800000000 ] - [ 0.0025692200000000, -0.0093421800000000, -0.0183325800000000 ] - [ 0.0022340900000000, -0.0002599900000000, -0.0005079200000000 ] - [ -0.0014334300000000, -0.0010584800000000, -0.0012417700000000 ] - [ 0.0027955500000000, -0.0006379100000000, -0.0000553400000000 ] - [ 0.0053906400000000, 0.0034226900000000, 0.0117309900000000 ] - [ 0.0023549700000000, -0.0005543000000000, -0.0002414000000000 ] - [ -0.0015756600000000, -0.0013656100000000, -0.0007625000000000 ] - [ 0.0028682100000000, -0.0011403700000000, -0.0001730700000000 ] - [ -0.0007443600000000, 0.0025846900000000, 0.0019300000000000 ] - [ 0.0019291500000000, -0.0001408000000000, 0.0002045700000000 ] - [ 0.0000488300000000, -0.0019039400000000, -0.0008580200000000 ] - [ 0.0034651100000000, -0.0003637500000000, 0.0004424700000000 ] - [ 0.0185430400000000, -0.0027684900000000, 0.0088380900000000 ] - [ 0.0011095400000000, 0.0004248500000000, -0.0004130100000000 ] - [ 0.0002798500000000, -0.0018938500000000, 0.0015832600000000 ] - [ 0.0005129900000000, 0.0000595800000000, 0.0002947300000000 ] - [ 0.0003022700000000, -0.0007664300000000, -0.0000349100000000 ] - [ 0.0013007100000000, -0.0006235400000000, 0.0005875400000000 ] - [ 0.0016803000000000, 0.0004424700000000, -0.0005093800000000 ] - [ 0.0013146300000000, 0.0003500500000000, -0.0007567300000000 ] - [ 0.0017460000000000, -0.0007389800000000, 0.0021899000000000 ] - [ 0.0024472800000000, 0.0002939000000000, 0.0004253300000000 ] - [ 0.0022930200000000, 0.0000484600000000, 0.0001571100000000 ] - [ 0.0079141900000000, -0.0003770000000000, -0.0065496500000000 ] - [ 0.0038892700000000, 0.0003829700000000, 0.0019130800000000 ] - [ 0.0008234900000000, -0.0002579800000000, 0.0017465200000000 ] - [ 0.0012585100000000, 0.0002081200000000, 0.0001936000000000 ] - [ 0.0006379100000000, 0.0006668900000000, -0.0002093000000000 ] - [ 0.0014209900000000, -0.0002831900000000, 0.0001615200000000 ] - [ 0.0016192600000000, -0.0017353400000000, 0.0048961300000000 ] - [ 0.0011976000000000, 0.0007257400000000, -0.0002530000000000 ] - [ 0.0032373500000000, -0.0044138900000000, 0.0032486300000000 ] - [ 0.0014277200000000, 0.0007610700000000, -0.0000925200000000 ] - [ -0.0016341800000000, 0.0001890000000000, -0.0023983900000000 ] - [ 0.0020539900000000, 0.0000951700000000, 0.0004559900000000 ] - [ -0.0018640500000000, -0.0008238800000000, 0.0012735600000000 ] - [ 0.0017066100000000, 0.0005138600000000, -0.0000100000000000 ] - [ 0.0059118100000000, 0.0132198500000000, 0.0010168400000000 ] - [ 0.0032908100000000, -0.0001666100000000, -0.0001902900000000 ]- atom: 55 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ 0.0008485500000000, 0.0000076200000000, 0.0001489500000000 ] - [ 0.0000131300000000, 0.0016606600000000, -0.0014103700000000 ] - [ 0.0012684100000000, 0.0002626500000000, -0.0001380800000000 ] - [ 0.0017317000000000, 0.0014934400000000, -0.0002535900000000 ] - [ 0.0005471500000000, 0.0012979000000000, -0.0017867900000000 ] - [ 0.0008213500000000, -0.0004449400000000, -0.0002861800000000 ] - [ -0.0006760400000000, 0.0002538200000000, 0.0003052600000000 ] - [ 0.0010831000000000, 0.0001621600000000, 0.0001488000000000 ] - [ -0.0275484600000000, 0.0201546200000000, 0.0158579700000000 ] - [ 0.0026964900000000, 0.0004414500000000, -0.0002425400000000 ] - [ -0.0064926600000000, 0.0022186100000000, -0.0010642200000000 ] - [ 0.0018860700000000, 0.0002120200000000, 0.0000473900000000 ] - [ 0.0022124300000000, -0.0002680000000000, -0.0002122900000000 ] - [ -0.0060504100000000, -0.0011569100000000, -0.0001678200000000 ] - [ 0.0019560200000000, 0.0001458900000000, -0.0003060100000000 ] - [ -0.0003855900000000, -0.0019141300000000, 0.0017240800000000 ] - [ 0.0055406400000000, 0.0008610900000000, 0.0027574300000000 ] - [ 0.0033159000000000, -0.0020231000000000, -0.0016900600000000 ] - [ 0.0005916500000000, -0.0000363400000000, -0.0003200200000000 ] - [ 0.0011231700000000, 0.0004371100000000, 0.0000367800000000 ] - [ -0.0256534100000000, 0.0144177200000000, 0.0069011800000000 ] - [ 0.0048591500000000, 0.0014063400000000, -0.0013675900000000 ] - [ -0.0074491600000000, 0.0033022200000000, -0.0029201900000000 ] - [ 0.0034365800000000, -0.0003270200000000, 0.0000012400000000 ] - [ -0.0079584400000000, -0.0002900900000000, 0.0015528100000000 ] - [ 0.0037509700000000, 0.0010322300000000, -0.0014856600000000 ] - [ 0.0042266500000000, -0.0006681700000000, -0.0012162900000000 ] - [ -0.0125383700000000, -0.0116193000000000, -0.0040428200000000 ] - [ 0.0044093700000000, 0.0001644300000000, 0.0004287000000000 ] - [ -0.0449301400000000, -0.0056775300000000, 0.0042890100000000 ] - [ 0.0043324700000000, -0.0016365700000000, -0.0015128800000000 ] - [ -0.0091392800000000, 0.0079435600000000, 0.0102584700000000 ] - [ 0.0033360600000000, -0.0009612800000000, 0.0012976600000000 ] - [ 0.0010048200000000, -0.0005302700000000, -0.0001049600000000 ] - [ 0.0027168400000000, 0.0007310300000000, -0.0007054700000000 ] - [ 0.0006264300000000, -0.0018431200000000, 0.0005766900000000 ] - [ 0.0081503300000000, -0.0011430500000000, 0.0002024800000000 ] - [ 0.0053303700000000, -0.0000949800000000, 0.0106854100000000 ] - [ 0.0011501600000000, 0.0033702800000000, -0.0005860200000000 ] - [ 0.0036245700000000, 0.0009796500000000, 0.0013079700000000 ] - [ -0.0011853500000000, -0.0030435300000000, 0.0065376300000000 ] - [ 0.0035473800000000, 0.0008535500000000, -0.0004539700000000 ] - [ -0.0028496300000000, 0.0000980500000000, -0.0004656700000000 ] - [ 0.0041400700000000, 0.0010563400000000, 0.0011585800000000 ] - [ 0.0042467000000000, 0.0009206700000000, 0.0003148200000000 ] - [ -0.0028668700000000, -0.0008262800000000, 0.0002382700000000 ] - [ 0.0010052100000000, -0.0062595600000000, 0.0014882600000000 ] - [ -0.0020783000000000, -0.0003988300000000, -0.0000894400000000 ] - [ 0.0043183200000000, 0.0004356500000000, -0.0018487700000000 ] - [ -0.0023986400000000, -0.0003971000000000, 0.0005714900000000 ] - [ 0.0010263300000000, -0.0006161700000000, 0.0008617000000000 ] - [ -0.0008156900000000, -0.0002103300000000, 0.0003882100000000 ] - [ 0.0054062100000000, -0.0043472400000000, 0.0042150900000000 ] - [ -0.0011343800000000, 0.0000151200000000, 0.0002099900000000 ] - [ 0.1431870900000000, -0.0277959600000000, -0.0299983800000000 ] - [ -0.0025971900000000, -0.0004863800000000, 0.0002638800000000 ] - [ 0.0066678600000000, 0.0005384500000000, 0.0011184400000000 ] - [ -0.0021013100000000, 0.0000822800000000, 0.0004213000000000 ] - [ 0.0126910200000000, -0.0014501100000000, -0.0088266500000000 ] - [ -0.0026716900000000, -0.0001222600000000, 0.0008748400000000 ] - [ -0.0026898300000000, 0.0001535500000000, 0.0011510300000000 ] - [ 0.0057476000000000, -0.0008749000000000, -0.0028777200000000 ] - [ -0.0022558700000000, -0.0001174700000000, 0.0001817200000000 ] - [ -0.0072895100000000, 0.0235963700000000, 0.0028771400000000 ] - [ -0.0023175300000000, 0.0004754000000000, 0.0003076700000000 ] - [ 0.0054021200000000, -0.0027860700000000, -0.0012323300000000 ] - [ -0.0012816000000000, 0.0005418700000000, 0.0001796900000000 ] - [ -0.0039515000000000, -0.0159745700000000, -0.0044397000000000 ] - [ -0.0008032800000000, -0.0000079500000000, -0.0000286100000000 ] - [ -0.0024294300000000, 0.0091460900000000, 0.0177743200000000 ] - [ -0.0020803800000000, 0.0000366900000000, 0.0005337300000000 ] - [ 0.0015385400000000, 0.0008211900000000, 0.0012568100000000 ] - [ -0.0028978000000000, 0.0006795600000000, 0.0001419400000000 ] - [ -0.0055198600000000, -0.0033492900000000, -0.0114852300000000 ] - [ -0.0025033700000000, 0.0003893500000000, 0.0001540800000000 ] - [ 0.0013659500000000, 0.0011950900000000, 0.0006728100000000 ] - [ -0.0027802900000000, 0.0011829800000000, 0.0003646200000000 ] - [ 0.0007852100000000, -0.0025125700000000, -0.0017147700000000 ] - [ -0.0018733600000000, -0.0000352300000000, -0.0003832800000000 ] - [ -0.0000188300000000, 0.0017063400000000, 0.0006701700000000 ] - [ -0.0035857800000000, 0.0002836400000000, -0.0003597200000000 ] - [ -0.0183375500000000, 0.0026395600000000, -0.0086095600000000 ] - [ -0.0012861300000000, -0.0004632000000000, 0.0004623500000000 ] - [ -0.0004724000000000, 0.0018372200000000, -0.0015173400000000 ] - [ -0.0004269400000000, -0.0000408700000000, -0.0002734600000000 ] - [ -0.0002229100000000, 0.0007828400000000, 0.0000542400000000 ] - [ -0.0013900400000000, 0.0003308600000000, -0.0004581600000000 ] - [ -0.0017716200000000, -0.0007172400000000, 0.0006283100000000 ] - [ -0.0015253400000000, -0.0003741300000000, 0.0008296000000000 ] - [ -0.0019551800000000, 0.0007046300000000, -0.0021027500000000 ] - [ -0.0023122800000000, -0.0001494200000000, -0.0002776000000000 ] - [ -0.0021759100000000, 0.0000991800000000, -0.0000158200000000 ] - [ -0.0080096300000000, 0.0005264600000000, 0.0064411400000000 ] - [ -0.0039691200000000, -0.0002354100000000, -0.0020299700000000 ] - [ -0.0005752400000000, 0.0002431600000000, -0.0018055700000000 ] - [ -0.0010282700000000, -0.0002261600000000, -0.0002612500000000 ] - [ -0.0005149600000000, -0.0009510700000000, 0.0000832400000000 ] - [ -0.0013128200000000, -0.0000046900000000, -0.0002855100000000 ] - [ -0.0016913700000000, 0.0017530300000000, -0.0049305400000000 ] - [ -0.0012624600000000, -0.0006993800000000, 0.0002206600000000 ] - [ -0.0030293500000000, 0.0044053000000000, -0.0032864500000000 ] - [ -0.0012288900000000, -0.0007862100000000, 0.0000446500000000 ] - [ 0.0017922600000000, -0.0002611800000000, 0.0023150900000000 ] - [ -0.0019048400000000, -0.0001723300000000, -0.0005289500000000 ] - [ 0.0018245900000000, 0.0006509600000000, -0.0010932200000000 ] - [ -0.0017352700000000, -0.0006844900000000, 0.0001853700000000 ] - [ -0.0060148500000000, -0.0133322100000000, -0.0012174400000000 ] - [ -0.0033304300000000, 0.0002066200000000, -0.0000034900000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001772300000000, 0.0001366100000000, -0.0000797100000000 ] - [ -0.0005623800000000, -0.0001469900000000, 0.0003258900000000 ] - [ 0.0004030300000000, -0.0001614700000000, 0.0001546500000000 ] - [ -0.0016016700000000, -0.0006076200000000, 0.0006166800000000 ] - [ -0.0012636700000000, 0.0011444800000000, 0.0015290200000000 ] - [ -0.0002171200000000, 0.0003899800000000, -0.0001214800000000 ] - [ -0.0012480500000000, -0.0007241600000000, -0.0013993700000000 ] - [ 0.0000628800000000, 0.0001568900000000, -0.0000545200000000 ] - [ -0.0180582700000000, 0.0241621100000000, 0.0161764000000000 ] - [ -0.0007081500000000, -0.0002532500000000, 0.0001827900000000 ] - [ 0.0021255800000000, -0.0090567200000000, 0.0007563200000000 ] - [ -0.0005121500000000, -0.0002150700000000, 0.0000651300000000 ] - [ -0.0002670200000000, 0.0001764900000000, -0.0000967800000000 ] - [ 0.0014664000000000, 0.0050249100000000, -0.0011399700000000 ] - [ -0.0011842000000000, 0.0001929100000000, 0.0004826300000000 ] - [ 0.0025300400000000, -0.0016983600000000, 0.0022173200000000 ] - [ -0.0016093900000000, 0.0033525000000000, -0.0014888200000000 ] - [ -0.0004627100000000, 0.0015956200000000, 0.0009744300000000 ] - [ -0.0002175600000000, -0.0010922300000000, 0.0003564000000000 ] - [ -0.0004046100000000, -0.0007077900000000, -0.0004333900000000 ] - [ 0.0073327900000000, 0.0926695700000000, 0.0079982800000000 ] - [ -0.0007334300000000, 0.0000553300000000, 0.0003882000000000 ] - [ 0.0035079000000000, -0.0136984400000000, 0.0096263800000000 ] - [ -0.0005512000000000, -0.0001590000000000, 0.0000091800000000 ] - [ 0.0018139500000000, -0.0029159500000000, -0.0006849300000000 ] - [ -0.0009285500000000, -0.0004643000000000, 0.0000758100000000 ] - [ -0.0007694900000000, 0.0004589500000000, 0.0002279900000000 ] - [ 0.0163415600000000, 0.0092774300000000, -0.0074551400000000 ] - [ -0.0005804200000000, 0.0000256200000000, 0.0002665700000000 ] - [ -0.0234559900000000, 0.0272735600000000, 0.0071921800000000 ] - [ -0.0006510700000000, -0.0001405600000000, 0.0003479600000000 ] - [ -0.0018750700000000, -0.0068739400000000, -0.0079493300000000 ] - [ -0.0014761900000000, -0.0009627700000000, -0.0012562600000000 ] - [ 0.0025533400000000, -0.0022577300000000, -0.0000421600000000 ] - [ -0.0005640800000000, 0.0009427600000000, -0.0004212000000000 ] - [ 0.0024553300000000, 0.0016297800000000, -0.0017946700000000 ] - [ 0.0021478000000000, 0.0009371300000000, 0.0004565300000000 ] - [ -0.0035210600000000, 0.0026281300000000, -0.0051378400000000 ] - [ -0.0098080900000000, -0.0134732900000000, -0.0020920600000000 ] - [ -0.0000417300000000, -0.0004225400000000, 0.0003605000000000 ] - [ 0.0043436800000000, -0.0036555600000000, 0.0024977500000000 ] - [ -0.0006065100000000, -0.0007422700000000, 0.0002327100000000 ] - [ 0.0005468700000000, 0.0022211200000000, -0.0010040000000000 ] - [ -0.0009497900000000, 0.0003594100000000, -0.0010078500000000 ] - [ -0.0005941700000000, -0.0014329200000000, 0.0007461300000000 ] - [ 0.0006885200000000, 0.0000658500000000, 0.0001278500000000 ] - [ 0.0028040000000000, 0.0251854100000000, -0.0049833300000000 ] - [ 0.0002961000000000, 0.0000905400000000, -0.0001179000000000 ] - [ -0.0020257800000000, 0.0030733500000000, -0.0032341600000000 ] - [ 0.0003135500000000, 0.0000290500000000, -0.0000256900000000 ] - [ -0.0003211600000000, 0.0046851500000000, -0.0022467900000000 ] - [ 0.0000415600000000, 0.0001358700000000, 0.0000357000000000 ] - [ -0.0004448900000000, 0.0105655700000000, -0.0142776100000000 ] - [ 0.0002644100000000, 0.0001293900000000, -0.0000636700000000 ] - [ 0.0278090300000000, -0.1994111100000000, -0.0355614100000000 ] - [ 0.0005373100000000, -0.0001072100000000, -0.0001965600000000 ] - [ 0.0001774700000000, 0.0102921200000000, 0.0055973000000000 ] - [ 0.0004130000000000, 0.0002047300000000, 0.0000252600000000 ] - [ -0.0119877300000000, 0.0030160000000000, 0.0199595700000000 ] - [ 0.0005362100000000, -0.0000183800000000, -0.0003245100000000 ] - [ 0.0003997000000000, 0.0000472900000000, -0.0000648300000000 ] - [ -0.0009093200000000, 0.0003470900000000, 0.0019131500000000 ] - [ 0.0004378600000000, -0.0001274700000000, -0.0001612600000000 ] - [ -0.0263096400000000, 0.0066867200000000, 0.0028985500000000 ] - [ 0.0004167200000000, 0.0001420100000000, -0.0001105300000000 ] - [ -0.0028408300000000, 0.0052007100000000, -0.0006525200000000 ] - [ 0.0001587200000000, 0.0002186000000000, -0.0001357900000000 ] - [ 0.0125369700000000, 0.0098830400000000, 0.0026080300000000 ] - [ 0.0001653100000000, -0.0002314900000000, -0.0002001300000000 ] - [ 0.0023239200000000, -0.0104527500000000, -0.0093491800000000 ] - [ 0.0005305000000000, -0.0003010400000000, 0.0000695400000000 ] - [ -0.0026617400000000, -0.0012224100000000, 0.0026391700000000 ] - [ -0.0001811800000000, -0.0000173300000000, -0.0000418300000000 ] - [ 0.0052365700000000, -0.0013653200000000, 0.0052808500000000 ] - [ 0.0007186700000000, -0.0002598000000000, 0.0000457200000000 ] - [ -0.0032819700000000, 0.0026916200000000, 0.0007702300000000 ] - [ 0.0001819000000000, 0.0003600000000000, 0.0000257800000000 ] - [ 0.0015770600000000, 0.0005585600000000, 0.0013706400000000 ] - [ 0.0008769000000000, -0.0002119300000000, 0.0005945500000000 ] - [ -0.0021298800000000, -0.0008623900000000, 0.0006188400000000 ] - [ 0.0002499100000000, -0.0007265400000000, -0.0004025500000000 ] - [ 0.0081315800000000, -0.0015000100000000, 0.0034336000000000 ] - [ 0.0003762200000000, -0.0009347800000000, -0.0003998700000000 ] - [ -0.0006948200000000, -0.0019169400000000, 0.0005808800000000 ] - [ 0.0002595000000000, -0.0001333100000000, 0.0002177500000000 ] - [ -0.0002190600000000, 0.0001182000000000, 0.0005480800000000 ] - [ -0.0007452600000000, 0.0011122600000000, 0.0001632900000000 ] - [ 0.0003505300000000, 0.0012365200000000, -0.0003759800000000 ] - [ -0.0006420100000000, -0.0006183700000000, 0.0003279900000000 ] - [ 0.0005125700000000, -0.0013131700000000, 0.0015358800000000 ] - [ 0.0027814300000000, 0.0014519900000000, 0.0008621100000000 ] - [ -0.0004793700000000, 0.0012151500000000, -0.0002517800000000 ] - [ -0.0035514900000000, -0.0018378700000000, 0.0021084300000000 ] - [ 0.0019494600000000, -0.0000356100000000, 0.0011531400000000 ] - [ 0.0014342700000000, 0.0029792500000000, 0.0017717700000000 ] - [ -0.0003322900000000, 0.0003876700000000, -0.0001720400000000 ] - [ 0.0007510300000000, -0.0016938500000000, 0.0000329200000000 ] - [ -0.0004037400000000, -0.0009149100000000, 0.0001910600000000 ] - [ -0.0010472100000000, -0.0007740900000000, -0.0009490300000000 ] - [ 0.0002483700000000, 0.0002417300000000, -0.0000579900000000 ] - [ -0.0045190400000000, 0.0103956000000000, -0.0012443600000000 ] - [ 0.0004717500000000, 0.0005869100000000, -0.0002513800000000 ] - [ 0.0010862300000000, 0.0019433200000000, -0.0021678400000000 ] - [ 0.0003643500000000, 0.0001194300000000, -0.0001092400000000 ] - [ -0.0008418800000000, 0.0002429600000000, -0.0001265300000000 ] - [ 0.0003583900000000, 0.0001058900000000, 0.0002621300000000 ] - [ 0.0152770400000000, 0.0085588700000000, 0.0001186400000000 ] - [ 0.0004955500000000, -0.0002647300000000, -0.0002364800000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000942200000000, 0.0001833800000000, 0.0000735900000000 ] - [ 0.0002898400000000, 0.0004801400000000, -0.0003453800000000 ] - [ -0.0002036100000000, 0.0004281800000000, 0.0000673800000000 ] - [ 0.0018003200000000, 0.0008839100000000, -0.0003926900000000 ] - [ 0.0010670900000000, -0.0009103100000000, -0.0017698100000000 ] - [ 0.0000269400000000, -0.0001365300000000, -0.0001048800000000 ] - [ 0.0015378800000000, 0.0010481000000000, 0.0014272900000000 ] - [ 0.0002153300000000, 0.0001610300000000, 0.0000658900000000 ] - [ 0.0170027900000000, -0.0232247600000000, -0.0152018800000000 ] - [ 0.0009040400000000, 0.0002808200000000, -0.0001874500000000 ] - [ -0.0023703400000000, 0.0090300600000000, -0.0006264200000000 ] - [ 0.0003413100000000, 0.0001658500000000, 0.0000322700000000 ] - [ 0.0004565500000000, -0.0002297500000000, -0.0000015500000000 ] - [ -0.0012851600000000, -0.0051380600000000, 0.0011317200000000 ] - [ 0.0010233500000000, -0.0001739400000000, -0.0004922500000000 ] - [ -0.0027319400000000, 0.0017128600000000, -0.0022278200000000 ] - [ 0.0015824300000000, -0.0033675300000000, 0.0016009600000000 ] - [ 0.0004526700000000, -0.0015876000000000, -0.0008958400000000 ] - [ 0.0002568600000000, 0.0011379800000000, -0.0004592900000000 ] - [ 0.0004353200000000, 0.0007452800000000, 0.0003389900000000 ] - [ -0.0080427800000000, -0.1000984900000000, -0.0088825900000000 ] - [ 0.0010253400000000, 0.0000253800000000, -0.0004208300000000 ] - [ -0.0035299100000000, 0.0135427400000000, -0.0098452900000000 ] - [ 0.0005949400000000, -0.0000323500000000, -0.0001150300000000 ] - [ -0.0023556900000000, 0.0028224700000000, 0.0006081400000000 ] - [ 0.0004351500000000, 0.0003295400000000, -0.0001629700000000 ] - [ 0.0013013600000000, -0.0006162200000000, -0.0001507500000000 ] - [ -0.0160420600000000, -0.0095823500000000, 0.0075633900000000 ] - [ 0.0005643900000000, -0.0002185900000000, -0.0001663300000000 ] - [ 0.0236768200000000, -0.0274706500000000, -0.0071274400000000 ] - [ 0.0003972000000000, 0.0002253100000000, -0.0003293900000000 ] - [ 0.0015480000000000, 0.0070754000000000, 0.0079794000000000 ] - [ 0.0015480800000000, 0.0008696400000000, 0.0014982800000000 ] - [ -0.0025397300000000, 0.0021781800000000, 0.0002613500000000 ] - [ 0.0006743700000000, -0.0009703200000000, 0.0001692400000000 ] - [ -0.0023759200000000, -0.0016649800000000, 0.0015586800000000 ] - [ -0.0019061800000000, -0.0008909300000000, -0.0006329300000000 ] - [ 0.0038713200000000, -0.0025765300000000, 0.0050681100000000 ] - [ 0.0096667400000000, 0.0136331800000000, 0.0022763800000000 ] - [ -0.0002316100000000, 0.0004810800000000, -0.0001916100000000 ] - [ -0.0044499100000000, 0.0037156400000000, -0.0022035300000000 ] - [ 0.0005180100000000, 0.0007492500000000, 0.0000261600000000 ] - [ -0.0005891800000000, -0.0023316800000000, 0.0008159700000000 ] - [ 0.0009352900000000, -0.0004523900000000, 0.0008086600000000 ] - [ 0.0007695500000000, 0.0012635200000000, -0.0006755400000000 ] - [ -0.0005395300000000, -0.0002304300000000, -0.0000424800000000 ] - [ -0.0027135000000000, -0.0255663700000000, 0.0049851600000000 ] - [ -0.0001841000000000, -0.0000477000000000, 0.0000352800000000 ] - [ 0.0019004700000000, -0.0033088400000000, 0.0031767600000000 ] - [ -0.0004583100000000, -0.0002517700000000, -0.0000047300000000 ] - [ 0.0002031500000000, -0.0047392600000000, 0.0024375700000000 ] - [ -0.0001660200000000, -0.0001574300000000, 0.0001300900000000 ] - [ 0.0005670500000000, -0.0102166100000000, 0.0144729400000000 ] - [ -0.0001653600000000, 0.0001945200000000, 0.0000835800000000 ] - [ -0.0257515100000000, 0.2064162000000000, 0.0354016700000000 ] - [ -0.0004268900000000, 0.0000941200000000, 0.0000935100000000 ] - [ -0.0000292100000000, -0.0101842400000000, -0.0054164600000000 ] - [ -0.0002951100000000, -0.0000790300000000, 0.0001200300000000 ] - [ 0.0121515300000000, -0.0029855600000000, -0.0204650900000000 ] - [ -0.0005663300000000, 0.0000357700000000, 0.0001824200000000 ] - [ -0.0003907600000000, -0.0000304200000000, 0.0002143300000000 ] - [ 0.0009603900000000, -0.0003450000000000, -0.0017753300000000 ] - [ -0.0005757500000000, 0.0002588100000000, 0.0000192700000000 ] - [ 0.0265547600000000, -0.0065310400000000, -0.0030377500000000 ] - [ -0.0005510200000000, -0.0001595700000000, 0.0002207000000000 ] - [ 0.0027572600000000, -0.0052570400000000, 0.0007673100000000 ] - [ -0.0002696600000000, 0.0001050700000000, 0.0001228300000000 ] - [ -0.0124520400000000, -0.0095220800000000, -0.0026132300000000 ] - [ -0.0000464800000000, 0.0002138300000000, 0.0000356000000000 ] - [ -0.0022679300000000, 0.0105465700000000, 0.0093404100000000 ] - [ -0.0004051000000000, 0.0000837100000000, -0.0000386700000000 ] - [ 0.0028303000000000, 0.0010203500000000, -0.0026364600000000 ] - [ 0.0000638600000000, 0.0000625300000000, 0.0001282700000000 ] - [ -0.0054771000000000, 0.0013296000000000, -0.0053009800000000 ] - [ -0.0009099000000000, 0.0001083900000000, -0.0001324500000000 ] - [ 0.0031514200000000, -0.0028572300000000, -0.0008628100000000 ] - [ -0.0001250800000000, -0.0003246700000000, 0.0001689700000000 ] - [ -0.0015016500000000, -0.0005522500000000, -0.0011812700000000 ] - [ -0.0008524800000000, 0.0000451200000000, -0.0007859100000000 ] - [ 0.0021949400000000, 0.0007080000000000, -0.0008042100000000 ] - [ -0.0003905400000000, 0.0006556200000000, 0.0004916600000000 ] - [ -0.0084320600000000, 0.0014908700000000, -0.0034288900000000 ] - [ -0.0005691400000000, 0.0009156800000000, 0.0004528600000000 ] - [ 0.0005109900000000, 0.0019106400000000, -0.0005472200000000 ] - [ -0.0001851200000000, 0.0001626900000000, -0.0002055000000000 ] - [ 0.0003012900000000, -0.0000881900000000, -0.0005329100000000 ] - [ 0.0006356700000000, -0.0014138900000000, -0.0000433500000000 ] - [ -0.0004567500000000, -0.0015397800000000, 0.0005044000000000 ] - [ 0.0004279700000000, 0.0006048100000000, -0.0002703600000000 ] - [ -0.0007478700000000, 0.0013033100000000, -0.0014921600000000 ] - [ -0.0027279400000000, -0.0013173000000000, -0.0007328100000000 ] - [ 0.0005914300000000, -0.0010729100000000, 0.0003938000000000 ] - [ 0.0035194800000000, 0.0019778800000000, -0.0022982500000000 ] - [ -0.0020943400000000, 0.0001765400000000, -0.0013106100000000 ] - [ -0.0012302800000000, -0.0030289400000000, -0.0018699100000000 ] - [ 0.0005593700000000, -0.0004146800000000, 0.0001051000000000 ] - [ -0.0006537500000000, 0.0014307500000000, -0.0001624200000000 ] - [ 0.0005058600000000, 0.0006411500000000, -0.0003206100000000 ] - [ 0.0009873700000000, 0.0007662300000000, 0.0009366700000000 ] - [ -0.0003340300000000, -0.0002294700000000, 0.0000335100000000 ] - [ 0.0046726600000000, -0.0104837800000000, 0.0011848000000000 ] - [ -0.0002902400000000, -0.0006311100000000, 0.0002068600000000 ] - [ -0.0009565900000000, -0.0020330400000000, 0.0021290600000000 ] - [ -0.0002357600000000, -0.0001987400000000, 0.0000303800000000 ] - [ 0.0008045400000000, -0.0004337100000000, 0.0002968600000000 ] - [ -0.0004054900000000, -0.0002875100000000, -0.0000856600000000 ] - [ -0.0156118900000000, -0.0085515200000000, -0.0003117800000000 ] - [ -0.0005801600000000, 0.0003173900000000, 0.0000453100000000 ]- atom: 55 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ -0.0000942200000000, 0.0000674800000000, -0.0001115300000000 ] - [ -0.0000243000000000, 0.0005615200000000, -0.0007211600000000 ] - [ 0.0000988700000000, 0.0000084600000000, 0.0002498800000000 ] - [ 0.0002793000000000, 0.0003380100000000, 0.0002680300000000 ] - [ 0.0008875300000000, 0.0010002600000000, -0.0001381200000000 ] - [ -0.0000214400000000, 0.0001412300000000, -0.0000906800000000 ] - [ -0.0003245500000000, -0.0001481100000000, -0.0007827300000000 ] - [ 0.0002845700000000, 0.0001712100000000, -0.0000204700000000 ] - [ -0.0176154400000000, 0.0182408200000000, 0.0202412100000000 ] - [ 0.0003410500000000, -0.0000098900000000, 0.0001919300000000 ] - [ -0.0000131700000000, 0.0002485600000000, 0.0000090200000000 ] - [ 0.0000873200000000, -0.0000582200000000, 0.0000908800000000 ] - [ 0.0003665500000000, 0.0000362600000000, -0.0001274300000000 ] - [ -0.0031609100000000, 0.0024071900000000, -0.0067251300000000 ] - [ -0.0000295600000000, 0.0001329900000000, 0.0002160400000000 ] - [ -0.0003316400000000, -0.0003674300000000, 0.0010050000000000 ] - [ -0.0012403600000000, 0.0001783800000000, 0.0001955500000000 ] - [ 0.0007525100000000, -0.0002150300000000, -0.0001583900000000 ] - [ 0.0002611600000000, -0.0002102000000000, -0.0002764800000000 ] - [ -0.0000755000000000, -0.0002034400000000, -0.0003312000000000 ] - [ -0.0017617800000000, 0.0060362000000000, 0.0183849500000000 ] - [ 0.0007911800000000, 0.0003254300000000, -0.0000497100000000 ] - [ 0.0001929600000000, 0.0020260500000000, 0.0017424800000000 ] - [ 0.0004433000000000, -0.0001792000000000, 0.0000033300000000 ] - [ 0.0001412500000000, -0.0002032500000000, -0.0052920900000000 ] - [ 0.0002495300000000, -0.0000703100000000, -0.0003823200000000 ] - [ 0.0005495800000000, 0.0000905400000000, -0.0001897300000000 ] - [ 0.0036368900000000, -0.0033148900000000, -0.0018879800000000 ] - [ 0.0005431800000000, 0.0000011300000000, 0.0003690700000000 ] - [ -0.0025144000000000, 0.0017638800000000, 0.0198594500000000 ] - [ 0.0006139600000000, -0.0004626200000000, -0.0001373500000000 ] - [ -0.0040486700000000, -0.0032709000000000, 0.0016754900000000 ] - [ -0.0001859700000000, 0.0001533200000000, -0.0003052200000000 ] - [ 0.0012554000000000, -0.0007645600000000, -0.0000487200000000 ] - [ 0.0004923200000000, 0.0006051800000000, -0.0008220400000000 ] - [ 0.0008574900000000, 0.0003884500000000, -0.0015349600000000 ] - [ 0.0040083600000000, -0.0000690400000000, 0.0005075900000000 ] - [ -0.0044185700000000, 0.0010862000000000, 0.0023419600000000 ] - [ -0.0020880600000000, -0.0012272000000000, 0.0011129900000000 ] - [ 0.0005101100000000, 0.0000689200000000, 0.0005892800000000 ] - [ -0.0015378000000000, 0.0012441500000000, -0.0002902300000000 ] - [ 0.0007132700000000, -0.0000804300000000, -0.0000905800000000 ] - [ 0.0005662500000000, -0.0000708900000000, -0.0049915600000000 ] - [ 0.0003014500000000, 0.0001709400000000, -0.0005912900000000 ] - [ -0.0004828400000000, 0.0002819400000000, 0.0025125400000000 ] - [ -0.0001785400000000, -0.0001057500000000, 0.0001850300000000 ] - [ 0.0009240100000000, 0.0059456300000000, -0.0009248500000000 ] - [ -0.0002633700000000, -0.0000287500000000, -0.0001232500000000 ] - [ 0.0005709600000000, -0.0010788400000000, 0.0031753000000000 ] - [ -0.0004291700000000, -0.0001097100000000, 0.0001697200000000 ] - [ -0.0001964900000000, 0.0000674900000000, 0.0017724400000000 ] - [ -0.0001610800000000, 0.0000051500000000, 0.0001429200000000 ] - [ -0.0000260800000000, -0.0139327300000000, 0.0043990200000000 ] - [ -0.0000869900000000, 0.0001097200000000, -0.0000268100000000 ] - [ 0.0312310100000000, -0.0362109400000000, -0.0629656300000000 ] - [ -0.0002746800000000, -0.0001571800000000, -0.0000958400000000 ] - [ 0.0019185900000000, 0.0042382300000000, 0.0032187300000000 ] - [ -0.0002263600000000, 0.0001557800000000, 0.0001257900000000 ] - [ -0.0031383900000000, 0.0062237300000000, 0.0034132300000000 ] - [ -0.0002845700000000, -0.0000328900000000, 0.0000061800000000 ] - [ -0.0003407400000000, 0.0000660200000000, 0.0002949300000000 ] - [ 0.0004602700000000, 0.0000104000000000, 0.0009402700000000 ] - [ -0.0003022200000000, -0.0000453800000000, -0.0000993500000000 ] - [ -0.0026923600000000, 0.0028104800000000, -0.0056363200000000 ] - [ -0.0003333700000000, 0.0001596200000000, 0.0000228200000000 ] - [ 0.0012688700000000, 0.0006862000000000, -0.0008368900000000 ] - [ -0.0001747500000000, 0.0002775500000000, -0.0001124600000000 ] - [ -0.0006114400000000, -0.0022659600000000, -0.0039372700000000 ] - [ -0.0000150200000000, -0.0000823600000000, -0.0001664900000000 ] - [ -0.0055786200000000, 0.0020550300000000, 0.0025556500000000 ] - [ -0.0002234900000000, -0.0001723800000000, 0.0002505800000000 ] - [ -0.0001364000000000, -0.0002794500000000, 0.0022341600000000 ] - [ -0.0009607800000000, 0.0002154200000000, -0.0000436500000000 ] - [ 0.0129559900000000, 0.0024272600000000, 0.0043323700000000 ] - [ -0.0000854000000000, -0.0001621800000000, -0.0000066700000000 ] - [ -0.0012539200000000, 0.0013685900000000, -0.0001632600000000 ] - [ -0.0005682100000000, 0.0005617900000000, 0.0000599900000000 ] - [ 0.0015087600000000, 0.0002610600000000, -0.0003648800000000 ] - [ 0.0000426400000000, -0.0001709000000000, 0.0002350200000000 ] - [ -0.0010861100000000, 0.0005338700000000, 0.0004692500000000 ] - [ -0.0004605000000000, -0.0001069700000000, -0.0006854500000000 ] - [ -0.0052023700000000, 0.0005195300000000, -0.0027158700000000 ] - [ -0.0003471200000000, -0.0005204100000000, 0.0001655100000000 ] - [ 0.0000787300000000, -0.0004423800000000, 0.0002072000000000 ] - [ -0.0000173600000000, -0.0002028900000000, 0.0003226200000000 ] - [ -0.0000695300000000, 0.0001649000000000, 0.0005221900000000 ] - [ 0.0002244700000000, -0.0002384100000000, 0.0001413100000000 ] - [ -0.0005280600000000, 0.0000321100000000, 0.0001712100000000 ] - [ -0.0006093100000000, -0.0002337700000000, 0.0009746700000000 ] - [ 0.0000480700000000, -0.0003617800000000, 0.0005375300000000 ] - [ 0.0005210100000000, 0.0001635700000000, 0.0000251000000000 ] - [ -0.0003977600000000, 0.0002223900000000, -0.0002902200000000 ] - [ -0.0062396400000000, 0.0001334100000000, 0.0035994200000000 ] - [ 0.0008174300000000, 0.0000970400000000, -0.0000977400000000 ] - [ 0.0004905500000000, 0.0000859100000000, -0.0000880300000000 ] - [ -0.0003307400000000, 0.0000682000000000, -0.0001830500000000 ] - [ -0.0000924200000000, -0.0004292200000000, 0.0005786700000000 ] - [ -0.0002627800000000, -0.0003681800000000, 0.0000875300000000 ] - [ 0.0013195200000000, -0.0006239400000000, 0.0027600700000000 ] - [ -0.0002851600000000, -0.0000401500000000, 0.0002718100000000 ] - [ 0.0002821900000000, 0.0007994200000000, -0.0014088700000000 ] - [ -0.0001030600000000, -0.0000560000000000, -0.0001264100000000 ] - [ -0.0006782200000000, 0.0000765800000000, -0.0013067100000000 ] - [ -0.0001236200000000, 0.0000088400000000, -0.0002457300000000 ] - [ -0.0001431700000000, 0.0000625500000000, 0.0010777000000000 ] - [ -0.0002022400000000, -0.0000967300000000, 0.0003103000000000 ] - [ 0.0023846000000000, 0.0010170500000000, -0.0023942000000000 ] - [ -0.0005821900000000, 0.0000766100000000, -0.0001798800000000 ]- atom: 55 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ -0.0001791900000000, 0.0002499400000000, 0.0001023500000000 ] - [ -0.0002520600000000, -0.0002435000000000, 0.0007110900000000 ] - [ 0.0000947300000000, 0.0002486600000000, -0.0000234500000000 ] - [ -0.0000787500000000, -0.0000768800000000, -0.0000424100000000 ] - [ -0.0010780800000000, -0.0007329500000000, -0.0000831100000000 ] - [ -0.0001728700000000, 0.0001177100000000, -0.0001349800000000 ] - [ 0.0006006300000000, 0.0004670000000000, 0.0007899300000000 ] - [ -0.0000090800000000, 0.0001475600000000, 0.0000307400000000 ] - [ 0.0172429800000000, -0.0176488500000000, -0.0201001500000000 ] - [ -0.0001576300000000, 0.0000310400000000, -0.0001932000000000 ] - [ -0.0001669700000000, -0.0003075600000000, 0.0000685400000000 ] - [ -0.0002686500000000, 0.0000055800000000, 0.0000073100000000 ] - [ -0.0001834300000000, -0.0000852200000000, 0.0000285900000000 ] - [ 0.0032976200000000, -0.0024158500000000, 0.0065598900000000 ] - [ -0.0001533000000000, -0.0001083900000000, -0.0002122600000000 ] - [ 0.0001551300000000, 0.0003836400000000, -0.0009890800000000 ] - [ 0.0012108700000000, -0.0001374100000000, -0.0001042000000000 ] - [ -0.0007753600000000, 0.0002454000000000, 0.0002489800000000 ] - [ -0.0002321100000000, 0.0002397300000000, 0.0001809000000000 ] - [ 0.0001014900000000, 0.0002355700000000, 0.0002338800000000 ] - [ 0.0020298200000000, -0.0053755600000000, -0.0181593000000000 ] - [ -0.0005177200000000, -0.0002466200000000, 0.0000257600000000 ] - [ -0.0001599100000000, -0.0022173700000000, -0.0017998700000000 ] - [ -0.0004104000000000, -0.0000104800000000, -0.0001080000000000 ] - [ -0.0006588700000000, 0.0000388700000000, 0.0051950400000000 ] - [ -0.0007568700000000, -0.0000731200000000, 0.0002970500000000 ] - [ -0.0000378800000000, -0.0002341800000000, 0.0002691800000000 ] - [ -0.0031341000000000, 0.0031783500000000, 0.0019270300000000 ] - [ -0.0005701000000000, -0.0001910600000000, -0.0002616800000000 ] - [ 0.0021867000000000, -0.0019625800000000, -0.0196241000000000 ] - [ -0.0008793900000000, 0.0005391500000000, 0.0001634600000000 ] - [ 0.0037552700000000, 0.0033278800000000, -0.0016124400000000 ] - [ 0.0002201700000000, -0.0002458500000000, 0.0005104700000000 ] - [ -0.0012129800000000, 0.0006723000000000, 0.0002567600000000 ] - [ -0.0003836600000000, -0.0006043000000000, 0.0005596900000000 ] - [ -0.0007572500000000, -0.0003931800000000, 0.0012780400000000 ] - [ -0.0037050000000000, 0.0001234300000000, -0.0006664400000000 ] - [ 0.0046725000000000, -0.0010275600000000, -0.0024774900000000 ] - [ 0.0017638600000000, 0.0012640500000000, -0.0009474300000000 ] - [ -0.0007806800000000, -0.0000127700000000, -0.0004188100000000 ] - [ 0.0014466400000000, -0.0012683900000000, 0.0005266700000000 ] - [ -0.0008105000000000, 0.0000752300000000, 0.0003476300000000 ] - [ -0.0005821800000000, -0.0000188400000000, 0.0047604800000000 ] - [ -0.0003371000000000, -0.0002650400000000, 0.0003762700000000 ] - [ 0.0006348600000000, -0.0004330400000000, -0.0023987200000000 ] - [ 0.0003384400000000, -0.0000523900000000, -0.0000969200000000 ] - [ -0.0007824800000000, -0.0057938300000000, 0.0007960100000000 ] - [ 0.0003802900000000, 0.0000725600000000, 0.0000400300000000 ] - [ -0.0007091900000000, 0.0008770500000000, -0.0032116800000000 ] - [ 0.0002910600000000, -0.0001114200000000, -0.0002023100000000 ] - [ 0.0000760200000000, -0.0000802400000000, -0.0016157100000000 ] - [ 0.0000405100000000, -0.0000258800000000, 0.0000192600000000 ] - [ 0.0001203400000000, 0.0140682500000000, -0.0043488600000000 ] - [ 0.0001907800000000, 0.0002102700000000, 0.0000442800000000 ] - [ -0.0303153500000000, 0.0350794600000000, 0.0623773600000000 ] - [ 0.0003957000000000, 0.0001394100000000, -0.0000113700000000 ] - [ -0.0017796200000000, -0.0040561300000000, -0.0030641900000000 ] - [ 0.0003530200000000, -0.0000255400000000, 0.0000191900000000 ] - [ 0.0031481100000000, -0.0063337800000000, -0.0035979900000000 ] - [ 0.0002690700000000, 0.0000510600000000, -0.0001513000000000 ] - [ 0.0003555800000000, -0.0000461000000000, -0.0001492200000000 ] - [ -0.0004343500000000, 0.0000108100000000, -0.0007994700000000 ] - [ 0.0001732600000000, 0.0001732500000000, -0.0000456800000000 ] - [ 0.0024766000000000, -0.0026049900000000, 0.0055370600000000 ] - [ 0.0002076000000000, -0.0001778000000000, 0.0000851700000000 ] - [ -0.0013870900000000, -0.0006968400000000, 0.0009329100000000 ] - [ 0.0000691200000000, 0.0000469900000000, 0.0000966600000000 ] - [ 0.0004677100000000, 0.0025534300000000, 0.0039135800000000 ] - [ 0.0001348700000000, 0.0000587300000000, 0.0000012100000000 ] - [ 0.0058180400000000, -0.0020976300000000, -0.0027481000000000 ] - [ 0.0003567200000000, -0.0000500900000000, -0.0002135600000000 ] - [ 0.0002749900000000, 0.0000568700000000, -0.0021964300000000 ] - [ 0.0008358600000000, -0.0001669300000000, 0.0001272300000000 ] - [ -0.0129063100000000, -0.0023500800000000, -0.0042051900000000 ] - [ -0.0000830200000000, 0.0000049500000000, -0.0000791900000000 ] - [ 0.0010873400000000, -0.0015305700000000, 0.0000864300000000 ] - [ 0.0006276600000000, -0.0005130300000000, 0.0001315200000000 ] - [ -0.0014378800000000, -0.0002155400000000, 0.0005518500000000 ] - [ -0.0000040400000000, -0.0000042300000000, -0.0004120000000000 ] - [ 0.0011290000000000, -0.0007105100000000, -0.0006479000000000 ] - [ 0.0003244800000000, 0.0000269900000000, 0.0007610600000000 ] - [ 0.0050187500000000, -0.0005914800000000, 0.0027546500000000 ] - [ 0.0001588000000000, 0.0004824700000000, -0.0001169900000000 ] - [ -0.0002659800000000, 0.0004083900000000, -0.0001596400000000 ] - [ 0.0000947200000000, 0.0002243300000000, -0.0002987700000000 ] - [ 0.0001480300000000, -0.0001387500000000, -0.0004985500000000 ] - [ -0.0003293200000000, -0.0000453400000000, -0.0000130300000000 ] - [ 0.0004240600000000, -0.0003172300000000, -0.0000431400000000 ] - [ 0.0003801800000000, 0.0002083000000000, -0.0009062100000000 ] - [ -0.0002679000000000, 0.0003374600000000, -0.0004744300000000 ] - [ -0.0004025500000000, -0.0000155200000000, 0.0001192800000000 ] - [ 0.0004996800000000, -0.0000753900000000, 0.0004314400000000 ] - [ 0.0060712000000000, 0.0000165600000000, -0.0037179300000000 ] - [ -0.0009211900000000, 0.0000507400000000, -0.0000412500000000 ] - [ -0.0002627300000000, -0.0001018200000000, 0.0000313700000000 ] - [ 0.0005544900000000, -0.0000903900000000, 0.0001177000000000 ] - [ 0.0001898600000000, 0.0001437200000000, -0.0007024600000000 ] - [ 0.0003627100000000, 0.0000887500000000, -0.0002125700000000 ] - [ -0.0014127800000000, 0.0006509200000000, -0.0027904700000000 ] - [ 0.0002070500000000, 0.0000612600000000, -0.0002970400000000 ] - [ -0.0000841500000000, -0.0008248900000000, 0.0013716100000000 ] - [ 0.0002887700000000, 0.0000210500000000, 0.0000786500000000 ] - [ 0.0008142300000000, -0.0001534100000000, 0.0012132300000000 ] - [ 0.0002589600000000, -0.0000872800000000, 0.0001645800000000 ] - [ 0.0001007800000000, -0.0002350200000000, -0.0008941500000000 ] - [ 0.0001611700000000, -0.0000804800000000, -0.0001299200000000 ] - [ -0.0024127600000000, -0.0009469100000000, 0.0022054400000000 ] - [ 0.0005118500000000, -0.0000310700000000, -0.0000137600000000 ]- atom: 57 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ -0.0010673300000000, 0.0001830800000000, -0.0000882600000000 ] - [ -0.0005352600000000, 0.0009921000000000, -0.0009360100000000 ] - [ -0.0010053000000000, -0.0001118900000000, 0.0002518300000000 ] - [ -0.0007294400000000, -0.0003865800000000, 0.0016300500000000 ] - [ 0.0003016100000000, 0.0005250500000000, -0.0000799500000000 ] - [ -0.0008639600000000, 0.0005834700000000, 0.0001808500000000 ] - [ 0.0008384600000000, 0.0005285300000000, 0.0003396800000000 ] - [ -0.0006901300000000, 0.0001178700000000, -0.0001713600000000 ] - [ 0.0252931200000000, 0.0174743800000000, 0.0169850000000000 ] - [ -0.0023927500000000, -0.0000261000000000, 0.0006120100000000 ] - [ 0.0047935300000000, -0.0010738400000000, 0.0009408800000000 ] - [ -0.0018762500000000, -0.0002512500000000, 0.0000768200000000 ] - [ -0.0018424000000000, 0.0001956500000000, 0.0000721600000000 ] - [ 0.0052850400000000, 0.0007664700000000, -0.0010089200000000 ] - [ -0.0018979100000000, 0.0000519100000000, -0.0000021600000000 ] - [ -0.0004504400000000, -0.0017658800000000, 0.0024468400000000 ] - [ -0.0005851100000000, -0.0003912100000000, 0.0001187500000000 ] - [ -0.0010191500000000, 0.0006211400000000, 0.0003769200000000 ] - [ -0.0050544200000000, 0.0015267900000000, 0.0018957300000000 ] - [ -0.0031325300000000, -0.0022792300000000, -0.0020479900000000 ] - [ 0.0077459400000000, 0.0024612500000000, -0.0030101500000000 ] - [ -0.0036192500000000, -0.0011415400000000, 0.0012690500000000 ] - [ 0.0268802800000000, 0.0102084000000000, -0.0049164800000000 ] - [ -0.0035591900000000, 0.0000791800000000, -0.0001105000000000 ] - [ 0.0311879600000000, -0.0023069400000000, 0.0091982500000000 ] - [ -0.0042346500000000, -0.0009661800000000, 0.0012169500000000 ] - [ -0.0030746400000000, 0.0005872100000000, 0.0012546300000000 ] - [ 0.0050770500000000, 0.0009521200000000, -0.0008565400000000 ] - [ -0.0033836600000000, -0.0003845800000000, -0.0002549300000000 ] - [ 0.0069167700000000, 0.0080546400000000, 0.0049022500000000 ] - [ -0.0047786700000000, 0.0015722200000000, 0.0013399700000000 ] - [ 0.0245252600000000, 0.0060518500000000, 0.0026782100000000 ] - [ -0.0029671100000000, 0.0015454800000000, -0.0002807600000000 ] - [ 0.0002339900000000, -0.0008047100000000, -0.0006272500000000 ] - [ -0.0027562600000000, -0.0001236000000000, 0.0008630500000000 ] - [ 0.0004942100000000, 0.0006292100000000, -0.0028188000000000 ] - [ -0.0066730600000000, 0.0002969100000000, -0.0014373300000000 ] - [ -0.0040492100000000, 0.0096791100000000, -0.0009290600000000 ] - [ -0.0002123700000000, 0.0052229300000000, -0.0065125100000000 ] - [ -0.0036271000000000, -0.0014228400000000, -0.0001345500000000 ] - [ 0.0008660700000000, 0.0001457800000000, -0.0002371700000000 ] - [ -0.0028887200000000, -0.0002406600000000, 0.0002441600000000 ] - [ -0.0007517200000000, -0.0040369100000000, 0.0024672400000000 ] - [ -0.0036996800000000, -0.0004844300000000, -0.0020584300000000 ] - [ -0.0037206200000000, 0.0024719500000000, -0.0029348200000000 ] - [ 0.0026631900000000, 0.0004967300000000, -0.0000941700000000 ] - [ -0.0041703200000000, -0.0028013400000000, 0.0018251900000000 ] - [ 0.0019637200000000, 0.0004934900000000, -0.0001066300000000 ] - [ -0.0022503000000000, -0.0000752700000000, -0.0005169400000000 ] - [ 0.0020183700000000, 0.0001461900000000, -0.0004267300000000 ] - [ -0.0067007200000000, -0.0041989500000000, -0.0040371800000000 ] - [ 0.0006760500000000, 0.0001465100000000, -0.0001315000000000 ] - [ -0.0009613900000000, -0.0041700000000000, 0.0023040700000000 ] - [ 0.0011725100000000, 0.0003587400000000, -0.0002323300000000 ] - [ -0.0066031500000000, 0.0001116700000000, 0.0017788400000000 ] - [ 0.0022430500000000, 0.0003490600000000, -0.0003295300000000 ] - [ -0.1458200500000000, -0.0320265500000000, -0.0334914800000000 ] - [ 0.0022305700000000, 0.0000322700000000, -0.0002273900000000 ] - [ -0.0040622500000000, -0.0004533600000000, 0.0014190100000000 ] - [ 0.0022747100000000, 0.0001188600000000, -0.0008985600000000 ] - [ 0.0026150400000000, -0.0001241100000000, -0.0009460500000000 ] - [ 0.0015197000000000, -0.0026946300000000, 0.0273080400000000 ] - [ 0.0017477300000000, 0.0001837800000000, -0.0003199400000000 ] - [ -0.0037056400000000, -0.0010761400000000, -0.0006839800000000 ] - [ 0.0021493800000000, -0.0005154200000000, -0.0001709100000000 ] - [ 0.0072097400000000, 0.0266873700000000, -0.0025186300000000 ] - [ 0.0010413000000000, -0.0000623700000000, -0.0001124600000000 ] - [ 0.0034065900000000, -0.0046394700000000, -0.0111450000000000 ] - [ 0.0007735100000000, -0.0000624500000000, -0.0002257500000000 ] - [ -0.0008246600000000, -0.0018711000000000, -0.0015982300000000 ] - [ 0.0020785900000000, -0.0002678400000000, -0.0005749700000000 ] - [ -0.0019709500000000, -0.0001777800000000, 0.0010835400000000 ] - [ 0.0024669700000000, -0.0003663800000000, 0.0001243400000000 ] - [ 0.0029880500000000, -0.0087418000000000, -0.0013561800000000 ] - [ 0.0021480300000000, -0.0006002600000000, -0.0002699500000000 ] - [ -0.0016629500000000, 0.0005755300000000, 0.0000159000000000 ] - [ 0.0035009100000000, -0.0004644700000000, 0.0000654900000000 ] - [ 0.0226599800000000, -0.0063968900000000, -0.0006888100000000 ] - [ 0.0013349800000000, -0.0004421300000000, -0.0003878000000000 ] - [ -0.0007136500000000, -0.0001036300000000, 0.0005356500000000 ] - [ 0.0019999200000000, 0.0000435100000000, 0.0008985100000000 ] - [ -0.0002419200000000, -0.0014776000000000, -0.0020730900000000 ] - [ 0.0011532000000000, 0.0002249500000000, -0.0001766000000000 ] - [ 0.0006988900000000, -0.0015508100000000, 0.0013069300000000 ] - [ 0.0008479900000000, -0.0003916500000000, -0.0001940800000000 ] - [ 0.0003713900000000, 0.0004900600000000, 0.0013760800000000 ] - [ 0.0016392300000000, -0.0008911400000000, 0.0000899200000000 ] - [ 0.0013444000000000, 0.0002537500000000, 0.0001603300000000 ] - [ 0.0011043000000000, 0.0002554900000000, -0.0003443200000000 ] - [ 0.0012250400000000, -0.0013105900000000, 0.0018484900000000 ] - [ 0.0016499200000000, -0.0003137300000000, 0.0005427200000000 ] - [ 0.0019352100000000, 0.0005993400000000, -0.0008258900000000 ] - [ 0.0062632400000000, 0.0047567400000000, -0.0012712900000000 ] - [ 0.0036784400000000, -0.0013914200000000, 0.0007943000000000 ] - [ 0.0005382700000000, -0.0010848100000000, 0.0012692000000000 ] - [ 0.0009854200000000, 0.0002184000000000, 0.0000267500000000 ] - [ 0.0008006100000000, 0.0010363600000000, -0.0004700500000000 ] - [ 0.0011041300000000, -0.0003902700000000, 0.0004031400000000 ] - [ 0.0001111700000000, 0.0010745200000000, -0.0006902200000000 ] - [ 0.0005410300000000, 0.0001606700000000, 0.0003779100000000 ] - [ 0.0033281000000000, -0.0018798300000000, 0.0056226300000000 ] - [ 0.0013481800000000, 0.0004657200000000, -0.0005343600000000 ] - [ 0.0048450800000000, -0.0118204000000000, 0.0039180500000000 ] - [ 0.0025801500000000, 0.0006174700000000, -0.0000595200000000 ] - [ 0.0019809000000000, 0.0012359600000000, -0.0083962100000000 ] - [ 0.0020970000000000, 0.0001422600000000, 0.0007678600000000 ] - [ -0.0029265000000000, -0.0022385700000000, 0.0010600600000000 ] - [ 0.0022595700000000, 0.0004714600000000, -0.0003035800000000 ]- atom: 57 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ 0.0007848000000000, 0.0001356400000000, 0.0000782200000000 ] - [ 0.0002624900000000, -0.0006649300000000, 0.0009178800000000 ] - [ 0.0011925100000000, 0.0003680600000000, -0.0000220800000000 ] - [ 0.0009231500000000, 0.0006404800000000, -0.0013819000000000 ] - [ -0.0005130200000000, -0.0002634500000000, -0.0001472300000000 ] - [ 0.0006636500000000, -0.0003206100000000, -0.0004044600000000 ] - [ -0.0005736200000000, -0.0002003100000000, -0.0003177900000000 ] - [ 0.0009588200000000, 0.0001997600000000, 0.0001801200000000 ] - [ -0.0256814900000000, -0.0184199900000000, -0.0178914000000000 ] - [ 0.0025502400000000, 0.0000491200000000, -0.0006058200000000 ] - [ -0.0049013200000000, 0.0010243600000000, -0.0008563200000000 ] - [ 0.0016789900000000, 0.0001965600000000, 0.0000232600000000 ] - [ 0.0020074800000000, -0.0002423500000000, -0.0001720600000000 ] - [ -0.0050257400000000, -0.0008190400000000, 0.0009188400000000 ] - [ 0.0017024700000000, -0.0000286900000000, 0.0000045600000000 ] - [ 0.0002790500000000, 0.0017701600000000, -0.0024191800000000 ] - [ 0.0005444200000000, 0.0004221500000000, -0.0000185900000000 ] - [ 0.0009868400000000, -0.0005813800000000, -0.0002745700000000 ] - [ 0.0050973900000000, -0.0015174600000000, -0.0020119400000000 ] - [ 0.0031254700000000, 0.0022779600000000, 0.0019216200000000 ] - [ -0.0074298000000000, -0.0023649400000000, 0.0029065700000000 ] - [ 0.0038578700000000, 0.0012105400000000, -0.0012792100000000 ] - [ -0.0266311900000000, -0.0102058000000000, 0.0046329100000000 ] - [ 0.0035591600000000, -0.0002703400000000, 0.0000045300000000 ] - [ -0.0315886400000000, 0.0020919500000000, -0.0090605800000000 ] - [ 0.0036907600000000, 0.0008161600000000, -0.0012926200000000 ] - [ 0.0035535200000000, -0.0007246800000000, -0.0011609000000000 ] - [ -0.0044922000000000, -0.0010883400000000, 0.0009213900000000 ] - [ 0.0033257200000000, 0.0001917200000000, 0.0003627600000000 ] - [ -0.0068275800000000, -0.0081763500000000, -0.0047565900000000 ] - [ 0.0044788800000000, -0.0014796100000000, -0.0013038700000000 ] - [ -0.0212564700000000, -0.0060772000000000, -0.0026982700000000 ] - [ 0.0029731200000000, -0.0016209700000000, 0.0004902400000000 ] - [ -0.0001707400000000, 0.0006987100000000, 0.0008344000000000 ] - [ 0.0028211700000000, 0.0001118700000000, -0.0011234800000000 ] - [ -0.0003683000000000, -0.0006271400000000, 0.0025249200000000 ] - [ 0.0069253500000000, -0.0002253700000000, 0.0012546400000000 ] - [ 0.0043116000000000, -0.0094706100000000, 0.0007631700000000 ] - [ -0.0001338400000000, -0.0051576100000000, 0.0067002000000000 ] - [ 0.0033252400000000, 0.0014632200000000, 0.0003102600000000 ] - [ -0.0010486200000000, -0.0001548500000000, 0.0004776400000000 ] - [ 0.0027709700000000, 0.0002303600000000, 0.0000157700000000 ] - [ 0.0006220500000000, 0.0039406900000000, -0.0026793800000000 ] - [ 0.0036319400000000, 0.0003955500000000, 0.0018223000000000 ] - [ 0.0039467300000000, -0.0025470200000000, 0.0029410900000000 ] - [ -0.0024796600000000, -0.0006531200000000, 0.0001805000000000 ] - [ 0.0043129100000000, 0.0027696300000000, -0.0018446100000000 ] - [ -0.0018282800000000, -0.0004463600000000, 0.0000209300000000 ] - [ 0.0021571000000000, -0.0001600400000000, 0.0003241600000000 ] - [ -0.0021376300000000, -0.0003640900000000, 0.0003933500000000 ] - [ 0.0066353300000000, 0.0040311500000000, 0.0040505100000000 ] - [ -0.0007907900000000, -0.0001641300000000, 0.0002952700000000 ] - [ 0.0010000200000000, 0.0043009200000000, -0.0022027500000000 ] - [ -0.0010584100000000, -0.0000335600000000, 0.0002482900000000 ] - [ 0.0066620700000000, -0.0000945200000000, -0.0018314300000000 ] - [ -0.0021026500000000, -0.0003605600000000, 0.0002207800000000 ] - [ 0.1421172800000000, 0.0330728900000000, 0.0345037200000000 ] - [ -0.0020858900000000, 0.0000960100000000, 0.0003691000000000 ] - [ 0.0039919600000000, 0.0004641500000000, -0.0015410900000000 ] - [ -0.0022704300000000, -0.0001011100000000, 0.0007419300000000 ] - [ -0.0025741900000000, 0.0001406000000000, 0.0010869700000000 ] - [ -0.0015155900000000, 0.0026464000000000, -0.0266605000000000 ] - [ -0.0018588700000000, -0.0000558900000000, 0.0001726700000000 ] - [ 0.0035292100000000, 0.0011922900000000, 0.0005396100000000 ] - [ -0.0022546300000000, 0.0004969200000000, 0.0002756400000000 ] - [ -0.0073033100000000, -0.0261839700000000, 0.0025536100000000 ] - [ -0.0011370600000000, 0.0003856500000000, 0.0000937400000000 ] - [ -0.0035016000000000, 0.0049143900000000, 0.0109487100000000 ] - [ -0.0006452600000000, 0.0000388000000000, 0.0000554900000000 ] - [ 0.0009318200000000, 0.0018310200000000, 0.0014180000000000 ] - [ -0.0019226000000000, 0.0000450300000000, 0.0006027000000000 ] - [ 0.0020716300000000, -0.0000429100000000, -0.0010410000000000 ] - [ -0.0025693400000000, 0.0004059700000000, -0.0000386500000000 ] - [ -0.0031043600000000, 0.0086467900000000, 0.0014216100000000 ] - [ -0.0022963300000000, 0.0004369400000000, 0.0001810300000000 ] - [ 0.0014602200000000, -0.0007265200000000, -0.0000988400000000 ] - [ -0.0034204100000000, 0.0005024700000000, 0.0001266600000000 ] - [ -0.0221200300000000, 0.0063383900000000, 0.0008768700000000 ] - [ -0.0012806200000000, 0.0002670400000000, 0.0002062100000000 ] - [ 0.0007378900000000, -0.0000679900000000, -0.0007086300000000 ] - [ -0.0021163800000000, -0.0001231900000000, -0.0008161600000000 ] - [ 0.0000897700000000, 0.0013808800000000, 0.0021213600000000 ] - [ -0.0013322800000000, -0.0002610200000000, 0.0002311000000000 ] - [ -0.0008828500000000, 0.0014956300000000, -0.0012405900000000 ] - [ -0.0007621400000000, 0.0004144300000000, 0.0002158200000000 ] - [ -0.0002933300000000, -0.0004571500000000, -0.0013372900000000 ] - [ -0.0017227400000000, 0.0005947700000000, 0.0000393600000000 ] - [ -0.0014414400000000, -0.0005332000000000, -0.0000326100000000 ] - [ -0.0013028800000000, -0.0002773400000000, 0.0004175000000000 ] - [ -0.0014387600000000, 0.0012668200000000, -0.0017603000000000 ] - [ -0.0015235400000000, 0.0004558300000000, -0.0004022400000000 ] - [ -0.0018194100000000, -0.0004470800000000, 0.0009526300000000 ] - [ -0.0063588200000000, -0.0046458700000000, 0.0011408700000000 ] - [ -0.0037512400000000, 0.0015146100000000, -0.0009211200000000 ] - [ -0.0002921100000000, 0.0010603100000000, -0.0013391800000000 ] - [ -0.0007584100000000, -0.0002369800000000, -0.0000957700000000 ] - [ -0.0006721200000000, -0.0013109400000000, 0.0003452400000000 ] - [ -0.0009990300000000, 0.0001018200000000, -0.0005234300000000 ] - [ -0.0001755600000000, -0.0010566900000000, 0.0006598000000000 ] - [ -0.0006154300000000, -0.0001402300000000, -0.0003991500000000 ] - [ -0.0031178600000000, 0.0018401200000000, -0.0056905100000000 ] - [ -0.0011490600000000, -0.0004951400000000, 0.0004775600000000 ] - [ -0.0047821500000000, 0.0118798900000000, -0.0040431400000000 ] - [ -0.0024193200000000, -0.0006860200000000, -0.0000227300000000 ] - [ -0.0020670100000000, -0.0014303500000000, 0.0086750800000000 ] - [ -0.0021167000000000, -0.0003184200000000, -0.0005776900000000 ] - [ 0.0028714200000000, 0.0022819000000000, -0.0012511900000000 ] - [ -0.0023093900000000, -0.0004220600000000, 0.0001071800000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002207200000000, 0.0002913000000000, 0.0001045600000000 ] - [ 0.0000405500000000, -0.0000128200000000, 0.0001594800000000 ] - [ 0.0001126300000000, 0.0005172000000000, 0.0000863000000000 ] - [ 0.0003479000000000, 0.0004885700000000, 0.0000058000000000 ] - [ 0.0015528000000000, -0.0016763400000000, -0.0007809200000000 ] - [ -0.0001170300000000, -0.0000130500000000, -0.0001313600000000 ] - [ 0.0015302300000000, -0.0011566800000000, -0.0010726100000000 ] - [ 0.0001234200000000, 0.0001354800000000, 0.0000327000000000 ] - [ 0.0192066700000000, 0.0237640600000000, 0.0181882800000000 ] - [ 0.0003054100000000, 0.0001858800000000, -0.0001754500000000 ] - [ -0.0011085600000000, 0.0025662000000000, 0.0007337000000000 ] - [ 0.0000538200000000, 0.0001150300000000, 0.0000228700000000 ] - [ 0.0000990500000000, -0.0001700700000000, 0.0000042800000000 ] - [ -0.0003330300000000, -0.0076599300000000, -0.0007851800000000 ] - [ 0.0006841200000000, -0.0004334800000000, -0.0002454900000000 ] - [ -0.0023110200000000, -0.0015475100000000, 0.0014949000000000 ] - [ 0.0003108500000000, -0.0010486100000000, 0.0004100700000000 ] - [ 0.0000194800000000, -0.0003407900000000, -0.0001655300000000 ] - [ 0.0013332200000000, 0.0024731300000000, -0.0012500500000000 ] - [ -0.0000414500000000, 0.0005788400000000, -0.0000102500000000 ] - [ -0.0022099500000000, -0.0091056200000000, 0.0078761400000000 ] - [ 0.0002327700000000, -0.0001734600000000, -0.0001535700000000 ] - [ -0.0000084400000000, 0.0149877300000000, 0.0129062000000000 ] - [ 0.0000485500000000, -0.0000669500000000, -0.0001326900000000 ] - [ -0.0049505900000000, 0.0260669400000000, 0.0059791000000000 ] - [ -0.0001853900000000, 0.0001566600000000, 0.0000320400000000 ] - [ 0.0005058200000000, -0.0005939000000000, 0.0001305700000000 ] - [ -0.0017659600000000, -0.0019816600000000, 0.0003776800000000 ] - [ -0.0002000400000000, -0.0001730400000000, -0.0002218400000000 ] - [ 0.0010761700000000, -0.0037859200000000, -0.0044750400000000 ] - [ -0.0000903900000000, 0.0005332100000000, -0.0000843100000000 ] - [ 0.0114193300000000, 0.0226297700000000, -0.0025943400000000 ] - [ 0.0012183300000000, 0.0002327500000000, 0.0011324800000000 ] - [ -0.0007664700000000, 0.0007380300000000, 0.0002443700000000 ] - [ 0.0000340500000000, -0.0017115000000000, 0.0001365800000000 ] - [ -0.0012396600000000, -0.0011376700000000, 0.0002654000000000 ] - [ -0.0034202000000000, -0.0003114200000000, -0.0009749100000000 ] - [ 0.0042967100000000, -0.0018071700000000, 0.0009050000000000 ] - [ 0.0049403300000000, 0.0032409900000000, 0.0082922700000000 ] - [ -0.0007225900000000, 0.0001199300000000, -0.0000429100000000 ] - [ -0.0010915900000000, 0.0034847000000000, 0.0010483500000000 ] - [ -0.0000411300000000, 0.0003549400000000, 0.0002100600000000 ] - [ -0.0072062800000000, -0.0030937200000000, 0.0031406400000000 ] - [ 0.0002231000000000, -0.0002121200000000, 0.0005122300000000 ] - [ 0.0055860900000000, 0.0082373000000000, -0.0128513900000000 ] - [ -0.0000727000000000, -0.0001723500000000, -0.0000639000000000 ] - [ -0.0017285100000000, 0.0051608100000000, -0.0079963800000000 ] - [ 0.0001301900000000, 0.0000574200000000, -0.0000030700000000 ] - [ 0.0013640200000000, -0.0007740500000000, -0.0027236300000000 ] - [ -0.0001061400000000, -0.0001805900000000, -0.0000796400000000 ] - [ -0.0029587300000000, 0.0086850900000000, 0.0254492800000000 ] - [ -0.0000617400000000, -0.0000950300000000, 0.0001058500000000 ] - [ 0.0016791600000000, 0.0245850200000000, -0.0082231200000000 ] - [ 0.0000215800000000, 0.0002594100000000, 0.0000530500000000 ] - [ -0.0004107400000000, 0.0102497500000000, 0.0040591200000000 ] - [ 0.0000404900000000, 0.0001351600000000, 0.0000375600000000 ] - [ -0.0318517800000000, -0.1412499300000000, -0.0321326900000000 ] - [ 0.0000292600000000, -0.0000720800000000, 0.0000745000000000 ] - [ 0.0015610700000000, 0.0012158800000000, -0.0015208100000000 ] - [ -0.0001193900000000, 0.0000646700000000, -0.0000134500000000 ] - [ -0.0000017600000000, -0.0000757100000000, 0.0000638000000000 ] - [ -0.0025517900000000, -0.0058783600000000, -0.0040869400000000 ] - [ -0.0001852200000000, 0.0002779300000000, -0.0000324000000000 ] - [ 0.0010853100000000, 0.0022378500000000, -0.0011921100000000 ] - [ -0.0002455300000000, -0.0002020700000000, 0.0001628100000000 ] - [ 0.0238742500000000, 0.0066280800000000, -0.0025307300000000 ] - [ -0.0000970900000000, -0.0000172700000000, 0.0000855300000000 ] - [ -0.0022300800000000, -0.0010710400000000, 0.0024249100000000 ] - [ 0.0000972100000000, 0.0001741400000000, 0.0000129600000000 ] - [ 0.0000521800000000, 0.0016010800000000, 0.0010833800000000 ] - [ 0.0000688200000000, 0.0000838200000000, -0.0001471200000000 ] - [ 0.0011858000000000, 0.0008052800000000, 0.0002320500000000 ] - [ 0.0005926800000000, -0.0000841100000000, 0.0001791000000000 ] - [ -0.0093552900000000, 0.0055526000000000, 0.0012562200000000 ] - [ -0.0006314000000000, 0.0001734600000000, -0.0001252500000000 ] - [ 0.0008846700000000, -0.0003358200000000, -0.0001340900000000 ] - [ 0.0000012700000000, -0.0009401400000000, 0.0002134100000000 ] - [ -0.0015275700000000, 0.0016422200000000, 0.0005933700000000 ] - [ -0.0002005900000000, 0.0003011600000000, -0.0004262500000000 ] - [ 0.0005264000000000, 0.0001050300000000, -0.0001514300000000 ] - [ 0.0002132000000000, 0.0001264800000000, 0.0005733700000000 ] - [ -0.0006919300000000, 0.0004611700000000, 0.0007775000000000 ] - [ -0.0002890600000000, 0.0013408500000000, 0.0002382900000000 ] - [ 0.0002549900000000, 0.0018401500000000, -0.0001694600000000 ] - [ -0.0003744500000000, 0.0006293500000000, 0.0000299800000000 ] - [ 0.0003143000000000, 0.0000956900000000, 0.0001673400000000 ] - [ 0.0003601300000000, -0.0011414300000000, -0.0001978200000000 ] - [ -0.0001518100000000, -0.0006625100000000, 0.0000716800000000 ] - [ 0.0012723900000000, 0.0006485900000000, -0.0003376300000000 ] - [ -0.0003341500000000, 0.0005910400000000, -0.0006482300000000 ] - [ -0.0019926800000000, -0.0001513600000000, -0.0011339100000000 ] - [ 0.0008706500000000, -0.0001435300000000, -0.0003152800000000 ] - [ 0.0052281600000000, 0.0035819300000000, -0.0007269700000000 ] - [ -0.0014494600000000, 0.0004018000000000, -0.0004272100000000 ] - [ -0.0010897300000000, -0.0016009900000000, -0.0015411300000000 ] - [ 0.0003793500000000, -0.0001891800000000, -0.0000549900000000 ] - [ -0.0002120500000000, 0.0027469400000000, 0.0003466800000000 ] - [ 0.0003021900000000, 0.0002356000000000, -0.0001832100000000 ] - [ 0.0005978200000000, -0.0009698000000000, -0.0017046400000000 ] - [ -0.0000760500000000, -0.0001037400000000, -0.0001081100000000 ] - [ 0.0014099400000000, -0.0037662500000000, 0.0004523000000000 ] - [ 0.0000480500000000, -0.0002798100000000, 0.0000432400000000 ] - [ -0.0111378100000000, 0.0043338400000000, -0.0049559900000000 ] - [ 0.0001670200000000, -0.0000765100000000, 0.0000366500000000 ] - [ 0.0012357200000000, -0.0022977400000000, -0.0014153900000000 ] - [ -0.0000850400000000, -0.0002061600000000, -0.0000344500000000 ] - [ -0.0008484300000000, 0.0018164900000000, -0.0015291600000000 ] - [ -0.0000505100000000, 0.0002066000000000, -0.0000415900000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000542000000000, 0.0000254500000000, -0.0001129900000000 ] - [ -0.0003074000000000, 0.0003182600000000, -0.0001575200000000 ] - [ 0.0000788700000000, -0.0002563700000000, 0.0001409500000000 ] - [ -0.0001470200000000, -0.0002243100000000, 0.0002096500000000 ] - [ -0.0017230700000000, 0.0019265200000000, 0.0005488300000000 ] - [ -0.0000780900000000, 0.0002704400000000, -0.0000952200000000 ] - [ -0.0012381800000000, 0.0014699600000000, 0.0010689700000000 ] - [ 0.0001530400000000, 0.0001839500000000, -0.0000223300000000 ] - [ -0.0199883400000000, -0.0243531800000000, -0.0191349200000000 ] - [ -0.0001146700000000, -0.0001651800000000, 0.0001704000000000 ] - [ 0.0009300200000000, -0.0025695900000000, -0.0006413300000000 ] - [ -0.0002321000000000, -0.0001657100000000, 0.0000749200000000 ] - [ 0.0000870300000000, 0.0001194900000000, -0.0001024700000000 ] - [ 0.0004674700000000, 0.0075853100000000, 0.0006347600000000 ] - [ -0.0008546600000000, 0.0004549700000000, 0.0002458900000000 ] - [ 0.0021061200000000, 0.0015706400000000, -0.0014837000000000 ] - [ -0.0003312700000000, 0.0010707900000000, -0.0003062800000000 ] - [ -0.0000483800000000, 0.0003704100000000, 0.0002615600000000 ] - [ -0.0013195400000000, -0.0024032700000000, 0.0011417900000000 ] - [ 0.0000810400000000, -0.0005219800000000, -0.0000731000000000 ] - [ 0.0024577100000000, 0.0091594000000000, -0.0077549700000000 ] - [ 0.0000436500000000, 0.0002538900000000, 0.0001258800000000 ] - [ -0.0001834900000000, -0.0121805900000000, -0.0128777200000000 ] - [ -0.0000091800000000, -0.0001215100000000, 0.0000269100000000 ] - [ 0.0042554300000000, -0.0259609100000000, -0.0058272900000000 ] - [ -0.0003146300000000, -0.0002971700000000, -0.0001177600000000 ] - [ 0.0000121700000000, 0.0004468800000000, -0.0000540600000000 ] - [ 0.0022307300000000, 0.0018267800000000, -0.0002875200000000 ] - [ 0.0001766300000000, -0.0000196200000000, 0.0003279900000000 ] - [ -0.0011485100000000, 0.0034863900000000, 0.0045817100000000 ] - [ -0.0001706600000000, -0.0004526600000000, 0.0001072100000000 ] - [ -0.0115802700000000, -0.0225497800000000, 0.0025059800000000 ] - [ -0.0011755300000000, -0.0003065400000000, -0.0009130500000000 ] - [ 0.0007947700000000, -0.0008118100000000, -0.0000281300000000 ] - [ 0.0000841000000000, 0.0017029900000000, -0.0004020800000000 ] - [ 0.0013151900000000, 0.0011229700000000, -0.0005190400000000 ] - [ 0.0037080400000000, 0.0003555000000000, 0.0008109900000000 ] - [ -0.0040416100000000, 0.0017665100000000, -0.0010724400000000 ] - [ -0.0051835100000000, -0.0031030200000000, -0.0080404900000000 ] - [ 0.0004463900000000, -0.0000554800000000, 0.0002080100000000 ] - [ 0.0009147900000000, -0.0034846600000000, -0.0007746900000000 ] - [ -0.0000520600000000, -0.0003582300000000, 0.0000505500000000 ] - [ 0.0071887500000000, 0.0029337200000000, -0.0033730700000000 ] - [ -0.0002508800000000, 0.0001102900000000, -0.0007168700000000 ] - [ -0.0054770500000000, -0.0084736800000000, 0.0131032700000000 ] - [ 0.0002289000000000, 0.0000120100000000, 0.0001508500000000 ] - [ 0.0018306700000000, -0.0050995000000000, 0.0077932600000000 ] - [ -0.0000140700000000, -0.0000151000000000, -0.0000797900000000 ] - [ -0.0014190200000000, 0.0004953700000000, 0.0025345800000000 ] - [ -0.0000336800000000, -0.0000410300000000, 0.0000499900000000 ] - [ 0.0027663700000000, -0.0086695100000000, -0.0247431300000000 ] - [ -0.0000603200000000, 0.0000755200000000, 0.0000583000000000 ] - [ -0.0015349800000000, -0.0237845700000000, 0.0081108200000000 ] - [ 0.0000807900000000, 0.0000617000000000, -0.0000339000000000 ] - [ 0.0005595300000000, -0.0102269800000000, -0.0042284600000000 ] - [ 0.0000765300000000, -0.0001494500000000, -0.0001431100000000 ] - [ 0.0332593000000000, 0.1381540500000000, 0.0328574300000000 ] - [ 0.0000933100000000, 0.0002004600000000, 0.0000694400000000 ] - [ -0.0015484900000000, -0.0011918700000000, 0.0013423600000000 ] - [ 0.0000970700000000, -0.0000471300000000, -0.0001326000000000 ] - [ 0.0000176400000000, 0.0000949000000000, 0.0000853700000000 ] - [ 0.0024573400000000, 0.0059466900000000, 0.0040844500000000 ] - [ 0.0000535500000000, -0.0001488800000000, -0.0001110900000000 ] - [ -0.0011834700000000, -0.0020881800000000, 0.0010316300000000 ] - [ 0.0001163000000000, 0.0001843900000000, -0.0000538500000000 ] - [ -0.0235839600000000, -0.0065952800000000, 0.0025723200000000 ] - [ -0.0000100600000000, 0.0003437600000000, -0.0001012100000000 ] - [ 0.0020681100000000, 0.0014601800000000, -0.0023651400000000 ] - [ 0.0000224100000000, -0.0001938100000000, -0.0001791000000000 ] - [ 0.0000751900000000, -0.0015952800000000, -0.0012483000000000 ] - [ 0.0000585800000000, -0.0003041300000000, 0.0001814000000000 ] - [ -0.0010226000000000, -0.0010218500000000, -0.0002010400000000 ] - [ -0.0007166900000000, 0.0001330700000000, -0.0000943900000000 ] - [ 0.0093747700000000, -0.0055308000000000, -0.0011874500000000 ] - [ 0.0004563500000000, -0.0003320800000000, 0.0000383500000000 ] - [ -0.0010409100000000, 0.0001588000000000, 0.0000480500000000 ] - [ 0.0000595900000000, 0.0009853300000000, -0.0000192800000000 ] - [ 0.0013980300000000, -0.0015456400000000, -0.0003847300000000 ] - [ 0.0002346400000000, -0.0004749000000000, 0.0002464500000000 ] - [ -0.0004733700000000, -0.0002799400000000, -0.0000309300000000 ] - [ -0.0003507100000000, -0.0002021500000000, -0.0004956000000000 ] - [ 0.0005656600000000, -0.0005237100000000, -0.0006903300000000 ] - [ 0.0000944700000000, -0.0013668700000000, -0.0001872900000000 ] - [ -0.0004305900000000, -0.0018531200000000, 0.0002181500000000 ] - [ 0.0004492800000000, -0.0006103500000000, -0.0000058200000000 ] - [ -0.0002323100000000, -0.0000787100000000, -0.0001486600000000 ] - [ -0.0004472300000000, 0.0008353700000000, 0.0003209300000000 ] - [ 0.0000409900000000, 0.0003662900000000, 0.0000526900000000 ] - [ -0.0014997600000000, -0.0006641900000000, 0.0004063000000000 ] - [ 0.0001096900000000, -0.0005980600000000, 0.0007066400000000 ] - [ 0.0020799200000000, 0.0002905200000000, 0.0012607700000000 ] - [ -0.0007569500000000, 0.0002831800000000, 0.0004553600000000 ] - [ -0.0053610500000000, -0.0034164700000000, 0.0005923200000000 ] - [ 0.0013333100000000, -0.0002398500000000, 0.0002847600000000 ] - [ 0.0013098700000000, 0.0015515400000000, 0.0014574800000000 ] - [ -0.0001523200000000, 0.0001649400000000, -0.0000107000000000 ] - [ 0.0003013600000000, -0.0030103400000000, -0.0004666000000000 ] - [ -0.0001956300000000, -0.0005094200000000, 0.0000562000000000 ] - [ -0.0006760000000000, 0.0010150700000000, 0.0016864100000000 ] - [ -0.0000024500000000, 0.0001240400000000, 0.0000805900000000 ] - [ -0.0011760500000000, 0.0036962400000000, -0.0004760100000000 ] - [ 0.0001347000000000, 0.0002402200000000, -0.0000848700000000 ] - [ 0.0110874400000000, -0.0043897700000000, 0.0048133300000000 ] - [ -0.0000378800000000, -0.0000082200000000, -0.0001135000000000 ] - [ -0.0012136400000000, 0.0021382300000000, 0.0015406400000000 ] - [ 0.0000356000000000, 0.0000299900000000, 0.0002070700000000 ] - [ 0.0007598400000000, -0.0017693800000000, 0.0013160000000000 ] - [ -0.0000205800000000, -0.0001616200000000, -0.0001509500000000 ]- atom: 57 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ 0.0002623900000000, 0.0001649500000000, -0.0000101500000000 ] - [ -0.0012670200000000, 0.0013696500000000, -0.0012228000000000 ] - [ -0.0002169400000000, 0.0000007100000000, 0.0000419000000000 ] - [ 0.0011017000000000, 0.0005430300000000, 0.0000536000000000 ] - [ -0.0002266300000000, 0.0004026300000000, 0.0006043200000000 ] - [ 0.0000740100000000, 0.0000364200000000, -0.0001268600000000 ] - [ 0.0006451800000000, -0.0006660200000000, -0.0012088500000000 ] - [ 0.0002852600000000, 0.0001686600000000, 0.0000213900000000 ] - [ 0.0168548900000000, 0.0182456300000000, 0.0224468900000000 ] - [ 0.0005393100000000, 0.0000637300000000, -0.0000600100000000 ] - [ -0.0009766600000000, 0.0003188300000000, -0.0073298400000000 ] - [ 0.0002382900000000, 0.0000088500000000, -0.0000415300000000 ] - [ 0.0004705000000000, -0.0000900000000000, 0.0000327900000000 ] - [ -0.0016683700000000, 0.0008877700000000, 0.0023356100000000 ] - [ -0.0001726900000000, 0.0001910300000000, 0.0001644400000000 ] - [ 0.0004834400000000, 0.0001062600000000, -0.0001758300000000 ] - [ -0.0003007400000000, 0.0005848800000000, -0.0010003800000000 ] - [ 0.0005121700000000, -0.0002042600000000, -0.0002855400000000 ] - [ 0.0007685500000000, -0.0008621800000000, 0.0019859500000000 ] - [ 0.0001311800000000, 0.0000122400000000, 0.0003692600000000 ] - [ -0.0006410100000000, -0.0008291800000000, -0.0004939700000000 ] - [ 0.0008800400000000, 0.0002356800000000, -0.0003170700000000 ] - [ -0.0032103600000000, 0.0090233600000000, 0.0253651300000000 ] - [ 0.0005552200000000, -0.0001165700000000, 0.0000307200000000 ] - [ 0.0111617800000000, -0.0014504200000000, 0.0038660600000000 ] - [ 0.0003718100000000, 0.0000632400000000, -0.0002004600000000 ] - [ 0.0010161500000000, -0.0002067500000000, -0.0005023400000000 ] - [ 0.0003342200000000, -0.0012841900000000, -0.0018684400000000 ] - [ 0.0004315800000000, -0.0000690800000000, -0.0001105000000000 ] - [ 0.0029386800000000, -0.0065311200000000, -0.0028568200000000 ] - [ 0.0004431700000000, -0.0002339100000000, -0.0000341300000000 ] - [ 0.0058141300000000, -0.0030249300000000, 0.0249689700000000 ] - [ 0.0007875400000000, -0.0010810900000000, -0.0010895600000000 ] - [ -0.0001826800000000, -0.0004855800000000, -0.0005753300000000 ] - [ 0.0017719000000000, 0.0005886400000000, 0.0001025900000000 ] - [ -0.0000385700000000, -0.0002002200000000, 0.0003538200000000 ] - [ -0.0001318800000000, -0.0002540300000000, 0.0013751300000000 ] - [ 0.0014954700000000, -0.0004103500000000, 0.0022598400000000 ] - [ -0.0057060900000000, 0.0008660400000000, -0.0032829000000000 ] - [ 0.0006915900000000, 0.0002072100000000, 0.0001750900000000 ] - [ 0.0088923000000000, -0.0017618300000000, -0.0095843300000000 ] - [ 0.0003032900000000, 0.0000773400000000, -0.0001738500000000 ] - [ 0.0072447200000000, 0.0042747900000000, 0.0012880500000000 ] - [ 0.0004209700000000, 0.0001276600000000, 0.0002163100000000 ] - [ -0.0049100800000000, -0.0118733100000000, 0.0047930700000000 ] - [ -0.0003432700000000, -0.0001824800000000, 0.0000238600000000 ] - [ 0.0025884200000000, -0.0084129500000000, 0.0040735900000000 ] - [ -0.0003175200000000, -0.0000556600000000, -0.0000339100000000 ] - [ -0.0086208000000000, 0.0029051900000000, 0.0226960400000000 ] - [ -0.0003982100000000, -0.0001398900000000, 0.0000958800000000 ] - [ -0.0025083500000000, 0.0233460400000000, 0.0057303800000000 ] - [ -0.0001806300000000, -0.0000226900000000, 0.0000671900000000 ] - [ 0.0008237700000000, 0.0010329600000000, -0.0004882200000000 ] - [ -0.0001463200000000, 0.0001261300000000, 0.0000268900000000 ] - [ -0.0009636000000000, 0.0054883000000000, 0.0030814800000000 ] - [ -0.0003083800000000, -0.0000550600000000, 0.0000016500000000 ] - [ -0.0326064300000000, -0.0316663200000000, -0.1242099300000000 ] - [ -0.0002531100000000, 0.0000669700000000, 0.0000768700000000 ] - [ 0.0000284700000000, 0.0002031300000000, 0.0024186600000000 ] - [ -0.0005138000000000, -0.0000110200000000, 0.0001811300000000 ] - [ -0.0004636500000000, 0.0000558200000000, 0.0001028400000000 ] - [ 0.0238855800000000, -0.0023127600000000, 0.0083749400000000 ] - [ -0.0003240700000000, 0.0000238400000000, 0.0000767800000000 ] - [ -0.0006457800000000, 0.0011800600000000, 0.0003900100000000 ] - [ -0.0003341400000000, 0.0000880900000000, 0.0000267300000000 ] - [ -0.0031297300000000, -0.0032163800000000, -0.0055151500000000 ] - [ -0.0001825500000000, 0.0002295900000000, 0.0000508500000000 ] - [ -0.0111133100000000, 0.0045823100000000, 0.0068782300000000 ] - [ -0.0001257200000000, 0.0000277300000000, 0.0001309800000000 ] - [ 0.0001422100000000, 0.0004386200000000, 0.0026527800000000 ] - [ -0.0006182600000000, -0.0001037100000000, 0.0002626800000000 ] - [ 0.0007229100000000, -0.0001904100000000, 0.0005566100000000 ] - [ -0.0002879900000000, 0.0001458500000000, -0.0000825100000000 ] - [ -0.0015014900000000, 0.0011518800000000, -0.0023358300000000 ] - [ -0.0005923600000000, 0.0000783600000000, 0.0001972300000000 ] - [ 0.0002122600000000, 0.0006668500000000, 0.0007474200000000 ] - [ -0.0002505600000000, 0.0002391300000000, -0.0002978000000000 ] - [ -0.0011106000000000, 0.0005213100000000, 0.0011202000000000 ] - [ -0.0002984100000000, -0.0001011700000000, 0.0003285900000000 ] - [ -0.0001242600000000, 0.0001941500000000, 0.0001340400000000 ] - [ -0.0001133500000000, -0.0000622600000000, -0.0001327900000000 ] - [ -0.0017293000000000, 0.0008106900000000, -0.0007541900000000 ] - [ -0.0001106100000000, -0.0001614700000000, -0.0006729100000000 ] - [ -0.0004080600000000, 0.0002427900000000, -0.0005868000000000 ] - [ -0.0003016700000000, -0.0000302300000000, 0.0001153000000000 ] - [ 0.0001540400000000, 0.0004097100000000, -0.0000654300000000 ] - [ -0.0016272600000000, 0.0009394300000000, 0.0011118000000000 ] - [ 0.0000020100000000, -0.0001075900000000, 0.0008392300000000 ] - [ -0.0016148100000000, -0.0004629800000000, -0.0010040300000000 ] - [ -0.0000291200000000, -0.0002340800000000, -0.0006919100000000 ] - [ 0.0013881800000000, 0.0001466300000000, 0.0010027800000000 ] - [ -0.0005673000000000, -0.0000606600000000, 0.0003300000000000 ] - [ 0.0011445800000000, 0.0010296600000000, -0.0030853200000000 ] - [ -0.0008536600000000, 0.0001180900000000, -0.0004650700000000 ] - [ -0.0005517100000000, 0.0012609600000000, 0.0024207000000000 ] - [ -0.0000338500000000, 0.0000056200000000, 0.0000330200000000 ] - [ -0.0014769600000000, -0.0017177000000000, -0.0004608000000000 ] - [ -0.0000829100000000, -0.0001502100000000, -0.0001170000000000 ] - [ -0.0008554100000000, -0.0007275200000000, 0.0018164700000000 ] - [ -0.0001945600000000, -0.0001033700000000, 0.0000425700000000 ] - [ 0.0041008800000000, -0.0005559200000000, 0.0091051900000000 ] - [ -0.0001940300000000, -0.0001199300000000, 0.0001657400000000 ] - [ 0.0020148200000000, -0.0019166200000000, -0.0018221300000000 ] - [ -0.0003159400000000, -0.0000840500000000, -0.0001320800000000 ] - [ -0.0070242200000000, -0.0011940600000000, 0.0048161500000000 ] - [ -0.0002165000000000, -0.0001729800000000, 0.0001184200000000 ] - [ 0.0016764500000000, -0.0003721300000000, 0.0002892300000000 ] - [ -0.0005917700000000, 0.0000141600000000, -0.0000567600000000 ]- atom: 57 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ -0.0005300300000000, 0.0001552300000000, 0.0000039300000000 ] - [ 0.0009763400000000, -0.0010383700000000, 0.0012101700000000 ] - [ 0.0004168200000000, 0.0002594000000000, 0.0001783300000000 ] - [ -0.0009077300000000, -0.0002843200000000, 0.0001581900000000 ] - [ 0.0000225600000000, -0.0001384700000000, -0.0008228200000000 ] - [ -0.0002655200000000, 0.0002194500000000, -0.0001005500000000 ] - [ -0.0003691300000000, 0.0009801000000000, 0.0012164300000000 ] - [ -0.0000071500000000, 0.0001503100000000, -0.0000097800000000 ] - [ -0.0175216600000000, -0.0190568400000000, -0.0229004900000000 ] - [ -0.0003459000000000, -0.0000409700000000, 0.0000527200000000 ] - [ 0.0007382700000000, -0.0004150600000000, 0.0074226800000000 ] - [ -0.0004124600000000, -0.0000594200000000, 0.0001384100000000 ] - [ -0.0002817100000000, 0.0000390000000000, -0.0001301900000000 ] - [ 0.0018410200000000, -0.0009394800000000, -0.0023860100000000 ] - [ -0.0000061400000000, -0.0001666800000000, -0.0001666700000000 ] - [ -0.0006561500000000, -0.0000708900000000, 0.0001536200000000 ] - [ 0.0002758800000000, -0.0005447400000000, 0.0010876400000000 ] - [ -0.0005393000000000, 0.0002354300000000, 0.0003816100000000 ] - [ -0.0007537600000000, 0.0008869000000000, -0.0020527000000000 ] - [ -0.0000907800000000, 0.0000344800000000, -0.0004467600000000 ] - [ 0.0008930400000000, 0.0008906400000000, 0.0004001900000000 ] - [ -0.0005966200000000, -0.0001540800000000, 0.0002864500000000 ] - [ 0.0031526500000000, -0.0091034800000000, -0.0254681800000000 ] - [ -0.0005138300000000, -0.0000746200000000, -0.0001343400000000 ] - [ -0.0116226300000000, 0.0010790300000000, -0.0015352300000000 ] - [ -0.0008681700000000, -0.0002017500000000, 0.0001141100000000 ] - [ -0.0004892100000000, 0.0000560400000000, 0.0005787000000000 ] - [ 0.0001634100000000, 0.0011390100000000, 0.0019533800000000 ] - [ -0.0004482800000000, -0.0001229500000000, 0.0002121400000000 ] - [ -0.0029830400000000, 0.0063675600000000, 0.0029074500000000 ] - [ -0.0007010200000000, 0.0003130400000000, 0.0000562700000000 ] - [ -0.0060499100000000, 0.0029803500000000, -0.0247855100000000 ] - [ -0.0007277700000000, 0.0009614400000000, 0.0013026700000000 ] - [ 0.0002049200000000, 0.0003846200000000, 0.0007889000000000 ] - [ -0.0016515000000000, -0.0005930500000000, -0.0003515000000000 ] - [ 0.0001350900000000, 0.0001868700000000, -0.0005880800000000 ] - [ 0.0003984000000000, 0.0003069400000000, -0.0015309500000000 ] - [ -0.0011858100000000, 0.0004024200000000, -0.0024233800000000 ] - [ 0.0054308500000000, -0.0008461900000000, 0.0033496600000000 ] - [ -0.0009562200000000, -0.0001458800000000, -0.0000115700000000 ] - [ -0.0088475700000000, 0.0017520700000000, 0.0098169300000000 ] - [ -0.0004055900000000, -0.0000796600000000, 0.0004338400000000 ] - [ -0.0072213100000000, -0.0043296200000000, -0.0014521500000000 ] - [ -0.0004457100000000, -0.0002217400000000, -0.0004129800000000 ] - [ 0.0050175500000000, 0.0115099100000000, -0.0046816300000000 ] - [ 0.0004972400000000, 0.0000190000000000, 0.0000611500000000 ] - [ -0.0024810300000000, 0.0085674600000000, -0.0041786600000000 ] - [ 0.0004304100000000, 0.0000965300000000, -0.0000484100000000 ] - [ 0.0083562300000000, -0.0030581800000000, -0.0223041800000000 ] - [ 0.0002574400000000, -0.0000806500000000, -0.0001250800000000 ] - [ 0.0023224600000000, -0.0229608700000000, -0.0055236500000000 ] - [ 0.0000563900000000, 0.0000044500000000, 0.0000975900000000 ] - [ -0.0007156400000000, -0.0008577500000000, 0.0005541500000000 ] - [ 0.0002463300000000, 0.0001965800000000, -0.0000059400000000 ] - [ 0.0010912500000000, -0.0055261800000000, -0.0031646000000000 ] - [ 0.0004217700000000, 0.0000425200000000, -0.0001046700000000 ] - [ 0.0335300200000000, 0.0328825800000000, 0.1216138100000000 ] - [ 0.0003725700000000, 0.0000606900000000, 0.0000668800000000 ] - [ -0.0000417000000000, -0.0001808700000000, -0.0025501500000000 ] - [ 0.0004848700000000, 0.0000275800000000, -0.0003252500000000 ] - [ 0.0004755600000000, -0.0000379000000000, 0.0000453900000000 ] - [ -0.0233628600000000, 0.0022669400000000, -0.0081582000000000 ] - [ 0.0001914600000000, 0.0001043200000000, -0.0002170300000000 ] - [ 0.0005288800000000, -0.0010594200000000, -0.0005159700000000 ] - [ 0.0002045400000000, -0.0001019400000000, 0.0000813500000000 ] - [ 0.0028737600000000, 0.0030722500000000, 0.0056622200000000 ] - [ 0.0000735200000000, 0.0000964400000000, -0.0000641200000000 ] - [ 0.0111562900000000, -0.0043050700000000, -0.0069609000000000 ] - [ 0.0002438900000000, -0.0000466900000000, -0.0002945900000000 ] - [ -0.0000162700000000, -0.0004653200000000, -0.0028084400000000 ] - [ 0.0007433700000000, -0.0001156600000000, -0.0002316400000000 ] - [ -0.0005751300000000, -0.0000302200000000, -0.0005427500000000 ] - [ 0.0001672000000000, -0.0000991500000000, 0.0001682800000000 ] - [ 0.0013289400000000, -0.0010540300000000, 0.0024409600000000 ] - [ 0.0004069100000000, -0.0002318600000000, -0.0002796500000000 ] - [ -0.0003651300000000, -0.0008179700000000, -0.0008316000000000 ] - [ 0.0003110800000000, -0.0001927200000000, 0.0004884300000000 ] - [ 0.0010038300000000, -0.0004217700000000, -0.0009416700000000 ] - [ 0.0003313600000000, -0.0000677100000000, -0.0005076600000000 ] - [ 0.0001714700000000, -0.0003644600000000, -0.0003192000000000 ] - [ -0.0000257900000000, -0.0000178800000000, 0.0002159100000000 ] - [ 0.0016069800000000, -0.0008891800000000, 0.0008587600000000 ] - [ -0.0000745000000000, 0.0001268300000000, 0.0007119400000000 ] - [ 0.0002130500000000, -0.0002674400000000, 0.0006246700000000 ] - [ 0.0003777000000000, 0.0000553300000000, -0.0001033300000000 ] - [ -0.0000723500000000, -0.0003811600000000, 0.0000735300000000 ] - [ 0.0014865700000000, -0.0012102400000000, -0.0009816800000000 ] - [ -0.0000960100000000, -0.0001784100000000, -0.0007091100000000 ] - [ 0.0013761400000000, 0.0004349400000000, 0.0010557600000000 ] - [ -0.0001931000000000, 0.0002132000000000, 0.0007413900000000 ] - [ -0.0012848500000000, 0.0000057000000000, -0.0008459400000000 ] - [ 0.0006658800000000, 0.0002059200000000, -0.0001770500000000 ] - [ -0.0012163800000000, -0.0008608500000000, 0.0029250200000000 ] - [ 0.0007194500000000, 0.0000398400000000, 0.0003198700000000 ] - [ 0.0007635000000000, -0.0012577700000000, -0.0024646100000000 ] - [ 0.0002593700000000, -0.0000273300000000, -0.0000980700000000 ] - [ 0.0015664800000000, 0.0014147500000000, 0.0003253500000000 ] - [ 0.0001832600000000, -0.0001309700000000, -0.0000123000000000 ] - [ 0.0007653900000000, 0.0007207500000000, -0.0018405400000000 ] - [ 0.0001156900000000, 0.0001199400000000, -0.0000707400000000 ] - [ -0.0039693200000000, 0.0005378100000000, -0.0091245700000000 ] - [ 0.0003774900000000, 0.0000817800000000, -0.0002057800000000 ] - [ -0.0018006700000000, 0.0017851000000000, 0.0018028800000000 ] - [ 0.0004399300000000, 0.0000013500000000, 0.0000565700000000 ] - [ 0.0068849700000000, 0.0010061400000000, -0.0046198000000000 ] - [ 0.0001673800000000, -0.0000042300000000, 0.0000524600000000 ] - [ -0.0017378200000000, 0.0004224800000000, -0.0004652300000000 ] - [ 0.0005150700000000, 0.0000307100000000, -0.0001344800000000 ]- atom: 59 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ -0.0013571000000000, 0.0002411300000000, -0.0002684000000000 ] - [ 0.0003915700000000, -0.0013046600000000, 0.0015565700000000 ] - [ -0.0008115900000000, -0.0002952400000000, 0.0005552700000000 ] - [ 0.0002669400000000, 0.0001773700000000, -0.0006412000000000 ] - [ -0.0004668100000000, 0.0005945300000000, 0.0011339700000000 ] - [ -0.0010385900000000, 0.0003581500000000, 0.0004071700000000 ] - [ 0.0065143100000000, 0.0020594000000000, 0.0017807000000000 ] - [ -0.0015310000000000, 0.0002412600000000, -0.0001142900000000 ] - [ 0.0007082300000000, 0.0009156200000000, 0.0012043400000000 ] - [ -0.0017819800000000, 0.0001073900000000, 0.0000506800000000 ] - [ 0.0082967700000000, -0.0003925700000000, -0.0018398700000000 ] - [ -0.0026418300000000, -0.0004257200000000, 0.0001069300000000 ] - [ -0.0024112300000000, 0.0003722900000000, 0.0000367500000000 ] - [ 0.0081358600000000, -0.0012018400000000, 0.0031180100000000 ] - [ -0.0027752500000000, -0.0000361100000000, 0.0004569200000000 ] - [ 0.0016398400000000, 0.0023019000000000, -0.0015051100000000 ] - [ -0.0058409600000000, 0.0027389300000000, 0.0004686000000000 ] - [ -0.0031301000000000, -0.0018513200000000, -0.0027455900000000 ] - [ -0.0012346500000000, -0.0008063500000000, -0.0001780200000000 ] - [ -0.0006937600000000, 0.0009997300000000, 0.0011687900000000 ] - [ 0.0301420300000000, 0.0076135300000000, 0.0268154500000000 ] - [ -0.0053947000000000, -0.0017541200000000, 0.0016054100000000 ] - [ 0.0075449100000000, -0.0059850900000000, 0.0037582200000000 ] - [ -0.0041284000000000, 0.0001764200000000, 0.0000097900000000 ] - [ 0.0069057800000000, -0.0013602900000000, -0.0011825600000000 ] - [ -0.0049898200000000, -0.0011683800000000, 0.0018965600000000 ] - [ -0.0052621800000000, 0.0011940100000000, 0.0019811600000000 ] - [ 0.1241284400000000, 0.0056452700000000, -0.0123053800000000 ] - [ -0.0043401900000000, -0.0001870500000000, 0.0001362700000000 ] - [ 0.0152849400000000, -0.0057629100000000, -0.0146653200000000 ] - [ -0.0049396300000000, 0.0015421400000000, 0.0017149200000000 ] - [ 0.0074983600000000, -0.0033148400000000, -0.0027670700000000 ] - [ -0.0064135200000000, 0.0007114700000000, -0.0010420200000000 ] - [ -0.0077851600000000, 0.0094544800000000, -0.0019144400000000 ] - [ -0.0060284500000000, 0.0001642100000000, -0.0005073200000000 ] - [ -0.0091777900000000, -0.0017031700000000, 0.0099951500000000 ] - [ -0.0040301700000000, 0.0020684200000000, -0.0012268000000000 ] - [ 0.0014935700000000, -0.0040654900000000, 0.0014529000000000 ] - [ -0.0045973700000000, -0.0090291200000000, 0.0035892700000000 ] - [ -0.0050159300000000, -0.0007687000000000, -0.0031925400000000 ] - [ 0.0012618100000000, -0.0006486100000000, -0.0016200000000000 ] - [ -0.0050248300000000, 0.0006632500000000, 0.0002784900000000 ] - [ 0.0000690200000000, 0.0043167000000000, -0.0041714200000000 ] - [ -0.0047269300000000, -0.0036708100000000, 0.0005906700000000 ] - [ -0.0036054900000000, -0.0013919100000000, 0.0009435200000000 ] - [ 0.0034718700000000, 0.0008202700000000, -0.0004878000000000 ] - [ -0.0031866800000000, 0.0072625800000000, -0.0059516700000000 ] - [ 0.0027265100000000, 0.0006220300000000, 0.0001118100000000 ] - [ -0.0039902900000000, 0.0001750600000000, 0.0008735900000000 ] - [ 0.0029817600000000, 0.0001108500000000, -0.0008349500000000 ] - [ -0.0021549300000000, 0.0030608600000000, -0.0001323900000000 ] - [ 0.0009797300000000, 0.0001533600000000, -0.0003914000000000 ] - [ -0.0031072700000000, 0.0033934900000000, -0.0112537400000000 ] - [ 0.0014549900000000, 0.0004546600000000, -0.0002859800000000 ] - [ -0.0127871400000000, -0.0121697500000000, -0.0033214600000000 ] - [ 0.0027455600000000, 0.0005492100000000, -0.0003121400000000 ] - [ -0.0039824400000000, 0.0016302300000000, 0.0000766900000000 ] - [ 0.0023441800000000, -0.0000454900000000, -0.0004144200000000 ] - [ -0.2019198900000000, -0.0172879700000000, -0.0028052100000000 ] - [ 0.0036296300000000, 0.0002014100000000, -0.0012540000000000 ] - [ 0.0032071100000000, -0.0001323700000000, -0.0010719500000000 ] - [ -0.0053714600000000, 0.0006452000000000, 0.0008458400000000 ] - [ 0.0025422400000000, 0.0000739000000000, -0.0005256900000000 ] - [ 0.0014014000000000, 0.0025616100000000, 0.0236942800000000 ] - [ 0.0026605800000000, -0.0004040400000000, -0.0002784400000000 ] - [ -0.0058625400000000, 0.0009391900000000, 0.0004604900000000 ] - [ 0.0013169900000000, -0.0001524600000000, -0.0003514500000000 ] - [ -0.0028147000000000, 0.0025873100000000, 0.0023803600000000 ] - [ 0.0010737400000000, -0.0003149400000000, -0.0004949800000000 ] - [ 0.0016700000000000, 0.0192179100000000, 0.0122169500000000 ] - [ 0.0032980700000000, -0.0005492300000000, -0.0006323700000000 ] - [ 0.0059989700000000, 0.0022723300000000, -0.0183998500000000 ] - [ 0.0023638200000000, -0.0006561700000000, -0.0000033200000000 ] - [ -0.0036368000000000, 0.0020501300000000, 0.0009209500000000 ] - [ 0.0036184300000000, -0.0008202000000000, -0.0004742200000000 ] - [ 0.0076038800000000, -0.0165485600000000, 0.0026487100000000 ] - [ 0.0029220000000000, -0.0006597500000000, -0.0000228100000000 ] - [ -0.0029912700000000, 0.0015540400000000, 0.0001713700000000 ] - [ 0.0031358700000000, -0.0003937200000000, 0.0002361700000000 ] - [ 0.0206183100000000, -0.0033223600000000, -0.0020275600000000 ] - [ 0.0027498900000000, -0.0006011200000000, 0.0001650100000000 ] - [ -0.0008078100000000, 0.0012021300000000, 0.0015097900000000 ] - [ 0.0015310700000000, -0.0006460300000000, 0.0003166600000000 ] - [ 0.0007057200000000, 0.0014451400000000, -0.0031827100000000 ] - [ 0.0010638300000000, 0.0000842400000000, 0.0004574200000000 ] - [ 0.0010552600000000, -0.0024976200000000, -0.0019193100000000 ] - [ 0.0018437200000000, 0.0002507600000000, 0.0004197000000000 ] - [ 0.0025833300000000, -0.0032280400000000, 0.0002882700000000 ] - [ 0.0014072400000000, -0.0006249600000000, 0.0006465500000000 ] - [ 0.0015596300000000, 0.0026685900000000, -0.0018576600000000 ] - [ 0.0032812700000000, 0.0006085000000000, 0.0001366900000000 ] - [ 0.0023889700000000, -0.0007441000000000, 0.0027076600000000 ] - [ 0.0016888600000000, -0.0007159800000000, 0.0001131500000000 ] - [ 0.0009192100000000, 0.0006903400000000, -0.0008682900000000 ] - [ 0.0049585300000000, 0.0044342600000000, -0.0003105800000000 ] - [ 0.0036063100000000, -0.0011834100000000, 0.0016732600000000 ] - [ 0.0050862700000000, -0.0021991700000000, 0.0032635700000000 ] - [ 0.0044449900000000, 0.0023220800000000, -0.0010816000000000 ] - [ 0.0017730700000000, -0.0035728800000000, 0.0017920900000000 ] - [ 0.0013079500000000, 0.0006900600000000, -0.0000461900000000 ] - [ 0.0001213700000000, 0.0017972500000000, -0.0000700800000000 ] - [ 0.0011508900000000, -0.0002507000000000, 0.0008963900000000 ] - [ -0.0008594500000000, 0.0014137500000000, -0.0028543500000000 ] - [ 0.0023758700000000, -0.0001314800000000, 0.0007239600000000 ] - [ -0.0012314100000000, -0.0004173600000000, 0.0011070700000000 ] - [ 0.0019140100000000, 0.0004412900000000, -0.0005197300000000 ] - [ 0.0086519900000000, 0.0036938900000000, -0.0118285200000000 ] - [ 0.0036622500000000, 0.0006586200000000, 0.0004872700000000 ]- atom: 59 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ 0.0010733200000000, 0.0000775700000000, 0.0002587600000000 ] - [ -0.0006581600000000, 0.0016080000000000, -0.0015505000000000 ] - [ 0.0009979100000000, 0.0005502300000000, -0.0003272600000000 ] - [ -0.0000664300000000, 0.0000840000000000, 0.0008573600000000 ] - [ 0.0002523100000000, -0.0003322300000000, -0.0013516400000000 ] - [ 0.0008371800000000, -0.0000979000000000, -0.0006280900000000 ] - [ -0.0065558600000000, -0.0020429900000000, -0.0021548400000000 ] - [ 0.0017915000000000, 0.0000793900000000, 0.0001240800000000 ] - [ -0.0005505600000000, -0.0008694400000000, -0.0011911800000000 ] - [ 0.0019516900000000, -0.0000843500000000, -0.0000525700000000 ] - [ -0.0083848100000000, 0.0002698600000000, 0.0019311800000000 ] - [ 0.0024407400000000, 0.0003710700000000, -0.0000091300000000 ] - [ 0.0025733100000000, -0.0004193600000000, -0.0001333800000000 ] - [ -0.0078574100000000, 0.0011505000000000, -0.0031819400000000 ] - [ 0.0025729000000000, 0.0000616700000000, -0.0004526500000000 ] - [ -0.0017783200000000, -0.0022746200000000, 0.0015102900000000 ] - [ 0.0058051900000000, -0.0027096600000000, -0.0003859200000000 ] - [ 0.0030774800000000, 0.0018604900000000, 0.0028071600000000 ] - [ 0.0012468900000000, 0.0008334600000000, 0.0000842900000000 ] - [ 0.0007193800000000, -0.0009548800000000, -0.0012504500000000 ] - [ -0.0298552500000000, -0.0074911600000000, -0.0266604200000000 ] - [ 0.0056198600000000, 0.0018188800000000, -0.0016181600000000 ] - [ -0.0074652400000000, 0.0056963100000000, -0.0038027400000000 ] - [ 0.0041273400000000, -0.0003632100000000, -0.0001113300000000 ] - [ -0.0073636700000000, 0.0011868400000000, 0.0011048500000000 ] - [ 0.0044449500000000, 0.0010171700000000, -0.0019618500000000 ] - [ 0.0057314000000000, -0.0013291200000000, -0.0018892000000000 ] - [ -0.1151283400000000, -0.0051141100000000, 0.0110426800000000 ] - [ 0.0042753600000000, -0.0000073300000000, -0.0000343400000000 ] - [ -0.0151170300000000, 0.0056069000000000, 0.0146273800000000 ] - [ 0.0046306500000000, -0.0014475200000000, -0.0016752000000000 ] - [ -0.0076843800000000, 0.0033564900000000, 0.0027773200000000 ] - [ 0.0064129500000000, -0.0007894800000000, 0.0012409900000000 ] - [ 0.0077773800000000, -0.0094335500000000, 0.0020952100000000 ] - [ 0.0060977600000000, -0.0001720000000000, 0.0002546500000000 ] - [ 0.0091625100000000, 0.0016784400000000, -0.0101122900000000 ] - [ 0.0042660200000000, -0.0020031200000000, 0.0010501700000000 ] - [ -0.0011803500000000, 0.0040743500000000, -0.0015805100000000 ] - [ 0.0042068500000000, 0.0090811000000000, -0.0034489200000000 ] - [ 0.0047080300000000, 0.0008218200000000, 0.0033343000000000 ] - [ -0.0013814600000000, 0.0006425900000000, 0.0018643100000000 ] - [ 0.0048857500000000, -0.0006666700000000, -0.0000196500000000 ] - [ -0.0001390000000000, -0.0044218100000000, 0.0039545200000000 ] - [ 0.0046513600000000, 0.0035388600000000, -0.0007908000000000 ] - [ 0.0037726500000000, 0.0012176200000000, -0.0008489100000000 ] - [ -0.0032799500000000, -0.0009730300000000, 0.0005684300000000 ] - [ 0.0033843300000000, -0.0071011700000000, 0.0057469600000000 ] - [ -0.0025867800000000, -0.0005753500000000, -0.0001952200000000 ] - [ 0.0038485400000000, -0.0003873100000000, -0.0008977100000000 ] - [ -0.0030917400000000, -0.0003289400000000, 0.0007992400000000 ] - [ 0.0020360000000000, -0.0030275100000000, 0.0002998000000000 ] - [ -0.0010926900000000, -0.0001709500000000, 0.0005527100000000 ] - [ 0.0031200300000000, -0.0030026800000000, 0.0110798600000000 ] - [ -0.0013395300000000, -0.0001289600000000, 0.0003029800000000 ] - [ 0.0128119100000000, 0.0119802700000000, 0.0031362800000000 ] - [ -0.0026027100000000, -0.0005562400000000, 0.0002053100000000 ] - [ 0.0040737800000000, -0.0014815100000000, 0.0000593400000000 ] - [ -0.0021998100000000, 0.0001717500000000, 0.0005531200000000 ] - [ 0.1934335200000000, 0.0169195700000000, 0.0043030700000000 ] - [ -0.0036203800000000, -0.0001836100000000, 0.0010977400000000 ] - [ -0.0031603100000000, 0.0001486600000000, 0.0012097900000000 ] - [ 0.0053448000000000, -0.0006207500000000, -0.0006953600000000 ] - [ -0.0026471900000000, 0.0000535300000000, 0.0003805300000000 ] - [ -0.0016290400000000, -0.0024447200000000, -0.0235672800000000 ] - [ -0.0027613900000000, 0.0003855300000000, 0.0003825500000000 ] - [ 0.0056770400000000, -0.0009330500000000, -0.0003569600000000 ] - [ -0.0014101700000000, 0.0004775700000000, 0.0003327900000000 ] - [ 0.0026763800000000, -0.0022461600000000, -0.0023785000000000 ] - [ -0.0009436000000000, 0.0002942000000000, 0.0003250400000000 ] - [ -0.0015765600000000, -0.0189489200000000, -0.0122263900000000 ] - [ -0.0031420600000000, 0.0003265700000000, 0.0006559000000000 ] - [ -0.0058578600000000, -0.0024607500000000, 0.0180977100000000 ] - [ -0.0024608700000000, 0.0006967700000000, 0.0000893600000000 ] - [ 0.0034697400000000, -0.0019893800000000, -0.0008352400000000 ] - [ -0.0037645400000000, 0.0006534000000000, 0.0003879000000000 ] - [ -0.0077810200000000, 0.0161460500000000, -0.0026876800000000 ] - [ -0.0028298400000000, 0.0007005100000000, 0.0002138900000000 ] - [ 0.0030189000000000, -0.0014956800000000, 0.0000189900000000 ] - [ -0.0030798200000000, 0.0002183900000000, -0.0004141500000000 ] - [ -0.0202023400000000, 0.0030904700000000, 0.0018284500000000 ] - [ -0.0028603200000000, 0.0005204100000000, -0.0000829100000000 ] - [ 0.0006477600000000, -0.0012749200000000, -0.0014252900000000 ] - [ -0.0017071000000000, 0.0006102100000000, -0.0002702400000000 ] - [ -0.0008899600000000, -0.0014595500000000, 0.0031766800000000 ] - [ -0.0009759400000000, -0.0000666500000000, -0.0004372100000000 ] - [ -0.0009654600000000, 0.0024845500000000, 0.0019239500000000 ] - [ -0.0019339900000000, -0.0005467500000000, -0.0002906400000000 ] - [ -0.0026653300000000, 0.0029061700000000, -0.0001585100000000 ] - [ -0.0016140000000000, 0.0006037800000000, -0.0005770300000000 ] - [ -0.0017682800000000, -0.0026587300000000, 0.0018953200000000 ] - [ -0.0031393400000000, -0.0004610400000000, 0.0000116000000000 ] - [ -0.0022751700000000, 0.0008833300000000, -0.0025390300000000 ] - [ -0.0017642900000000, 0.0008593500000000, -0.0002557400000000 ] - [ -0.0010282000000000, -0.0005374400000000, 0.0007182000000000 ] - [ -0.0047168300000000, -0.0044663200000000, 0.0002539000000000 ] - [ -0.0033549000000000, 0.0011486600000000, -0.0017251900000000 ] - [ -0.0049692900000000, 0.0019186000000000, -0.0034095100000000 ] - [ -0.0042963300000000, -0.0025785900000000, 0.0009423500000000 ] - [ -0.0018463700000000, 0.0035991000000000, -0.0018119300000000 ] - [ -0.0013738800000000, -0.0006629900000000, 0.0000207600000000 ] - [ 0.0000822400000000, -0.0018265100000000, 0.0000388300000000 ] - [ -0.0009568100000000, 0.0002122600000000, -0.0009322800000000 ] - [ 0.0010256700000000, -0.0014878500000000, 0.0027703000000000 ] - [ -0.0022231800000000, 0.0000514000000000, -0.0007955100000000 ] - [ 0.0011944900000000, 0.0002442800000000, -0.0009288400000000 ] - [ -0.0019398900000000, -0.0006118900000000, 0.0006911300000000 ] - [ -0.0087635600000000, -0.0036600800000000, 0.0118003200000000 ] - [ -0.0037008800000000, -0.0006084700000000, -0.0006723400000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001505500000000, 0.0000817500000000, -0.0000497100000000 ] - [ -0.0003866400000000, -0.0004518100000000, 0.0003651900000000 ] - [ 0.0000283400000000, -0.0000158300000000, 0.0001775200000000 ] - [ -0.0000768800000000, -0.0001933500000000, 0.0002354300000000 ] - [ 0.0001201700000000, 0.0002867400000000, -0.0002337000000000 ] - [ -0.0002190000000000, 0.0002410900000000, -0.0000525400000000 ] - [ 0.0031618600000000, 0.0064834600000000, 0.0028083900000000 ] - [ 0.0000677800000000, 0.0002794300000000, -0.0000666100000000 ] - [ 0.0009311600000000, -0.0012622000000000, -0.0003673500000000 ] - [ -0.0001196800000000, -0.0001107100000000, 0.0000827600000000 ] - [ 0.0021836000000000, -0.0059972600000000, 0.0025830500000000 ] - [ -0.0002224400000000, -0.0001173900000000, 0.0000950300000000 ] - [ -0.0000382700000000, 0.0000318100000000, -0.0000409100000000 ] - [ 0.0000078400000000, -0.0000407500000000, 0.0004811500000000 ] - [ -0.0002518300000000, 0.0001866600000000, 0.0001199100000000 ] - [ -0.0001622300000000, 0.0009209500000000, 0.0001745900000000 ] - [ 0.0010521700000000, 0.0002093100000000, -0.0000042100000000 ] - [ -0.0007211500000000, 0.0001221000000000, -0.0000605200000000 ] - [ -0.0002415900000000, -0.0003239400000000, -0.0000885400000000 ] - [ -0.0000371400000000, -0.0001421100000000, -0.0001489900000000 ] - [ 0.0011022000000000, 0.0194401700000000, 0.0045809900000000 ] - [ -0.0001912600000000, 0.0001211200000000, 0.0001217700000000 ] - [ 0.0011758900000000, 0.0024182800000000, 0.0010566600000000 ] - [ -0.0001371600000000, -0.0000606600000000, 0.0000102500000000 ] - [ 0.0003525500000000, -0.0044053400000000, -0.0006274000000000 ] - [ -0.0004653800000000, -0.0003031900000000, -0.0000933700000000 ] - [ 0.0000139300000000, 0.0002794100000000, 0.0000427000000000 ] - [ 0.0068687900000000, 0.0162468300000000, 0.0001539600000000 ] - [ -0.0000640800000000, -0.0001135700000000, 0.0001545900000000 ] - [ -0.0027901900000000, -0.0017017700000000, -0.0034986600000000 ] - [ -0.0003129000000000, -0.0000541400000000, 0.0000981400000000 ] - [ 0.0007012800000000, -0.0015703600000000, -0.0009754000000000 ] - [ -0.0017909500000000, 0.0003281700000000, -0.0002471300000000 ] - [ 0.0045171200000000, 0.0004594200000000, -0.0001317400000000 ] - [ 0.0000747500000000, 0.0006105900000000, -0.0003811700000000 ] - [ -0.0007944100000000, 0.0009977600000000, 0.0004164400000000 ] - [ 0.0005300100000000, -0.0000144000000000, -0.0000295700000000 ] - [ -0.0006950900000000, -0.0002760400000000, -0.0010487800000000 ] - [ -0.0044621500000000, 0.0012049000000000, 0.0020312400000000 ] - [ -0.0000272300000000, 0.0001882200000000, 0.0005984300000000 ] - [ -0.0002366200000000, -0.0042136600000000, -0.0003652300000000 ] - [ 0.0000863600000000, -0.0007815100000000, 0.0000049800000000 ] - [ 0.0019597600000000, 0.0000146400000000, 0.0010072000000000 ] - [ -0.0005995000000000, -0.0005520800000000, -0.0003317500000000 ] - [ -0.0008983900000000, 0.0022485100000000, -0.0009559800000000 ] - [ 0.0004028300000000, 0.0000978700000000, 0.0000451100000000 ] - [ 0.0030648700000000, 0.0049232900000000, -0.0121973100000000 ] - [ 0.0000604700000000, -0.0000413000000000, -0.0001485200000000 ] - [ 0.0001717000000000, 0.0018074900000000, 0.0004007200000000 ] - [ -0.0000436200000000, -0.0000153300000000, 0.0000670100000000 ] - [ -0.0000469000000000, 0.0029790300000000, 0.0031817900000000 ] - [ -0.0000244300000000, 0.0000248800000000, 0.0000615900000000 ] - [ 0.0003116000000000, -0.0021976700000000, 0.0048101400000000 ] - [ 0.0001376300000000, 0.0000934100000000, -0.0000407400000000 ] - [ 0.0015719100000000, 0.0030216100000000, 0.0063076300000000 ] - [ 0.0001904500000000, -0.0000361300000000, -0.0000944100000000 ] - [ -0.0003910000000000, 0.0012720900000000, 0.0002609400000000 ] - [ 0.0001732800000000, 0.0001213900000000, 0.0000549200000000 ] - [ -0.0166713600000000, -0.0479126500000000, -0.0148599500000000 ] - [ 0.0001830700000000, -0.0000468400000000, -0.0001413700000000 ] - [ 0.0001463900000000, 0.0000432400000000, 0.0000528000000000 ] - [ -0.0006185400000000, 0.0005266900000000, 0.0004509800000000 ] - [ 0.0000659800000000, -0.0000200900000000, -0.0001189600000000 ] - [ 0.0025661800000000, -0.0058716500000000, 0.0021887200000000 ] - [ 0.0000809900000000, 0.0000289700000000, -0.0000005100000000 ] - [ -0.0009490300000000, 0.0003400000000000, 0.0000476700000000 ] - [ 0.0000084500000000, 0.0002384400000000, -0.0000642800000000 ] - [ -0.0001772600000000, 0.0022162000000000, 0.0002967600000000 ] - [ 0.0000821400000000, -0.0000834300000000, -0.0001449900000000 ] - [ 0.0063443100000000, 0.0035413900000000, 0.0029588600000000 ] - [ 0.0001200400000000, -0.0001824500000000, 0.0000850500000000 ] - [ 0.0014268000000000, -0.0016719400000000, -0.0013793400000000 ] - [ -0.0000950300000000, 0.0000620900000000, 0.0000095200000000 ] - [ 0.0005692200000000, 0.0006780900000000, 0.0010316200000000 ] - [ 0.0005074400000000, -0.0003427500000000, -0.0001201800000000 ] - [ -0.0141586900000000, 0.0044857400000000, -0.0004615300000000 ] - [ 0.0001289700000000, 0.0002035500000000, 0.0000771900000000 ] - [ -0.0000429900000000, 0.0005342500000000, 0.0002660500000000 ] - [ 0.0000953000000000, -0.0004220300000000, -0.0000251600000000 ] - [ 0.0030950300000000, -0.0001688200000000, -0.0000687200000000 ] - [ -0.0001669100000000, -0.0000066100000000, 0.0000235500000000 ] - [ 0.0012930400000000, -0.0000578600000000, 0.0010366100000000 ] - [ -0.0001398900000000, -0.0002116100000000, 0.0000634000000000 ] - [ 0.0001806800000000, -0.0002407300000000, 0.0001378000000000 ] - [ 0.0002301200000000, -0.0003152900000000, 0.0002650800000000 ] - [ -0.0000698200000000, -0.0009158300000000, 0.0008821400000000 ] - [ 0.0001709600000000, 0.0005278400000000, 0.0002028500000000 ] - [ -0.0002398800000000, 0.0008037900000000, 0.0000079800000000 ] - [ -0.0003488600000000, -0.0001890300000000, 0.0000221000000000 ] - [ 0.0001570000000000, -0.0000840200000000, 0.0002140800000000 ] - [ 0.0009702600000000, -0.0001753100000000, -0.0001275000000000 ] - [ -0.0000792800000000, -0.0001630400000000, -0.0006193500000000 ] - [ -0.0006301000000000, 0.0001441200000000, -0.0000388900000000 ] - [ 0.0004279100000000, 0.0001781800000000, 0.0000638700000000 ] - [ 0.0034627600000000, 0.0024607700000000, -0.0008635900000000 ] - [ -0.0009390500000000, 0.0000884400000000, -0.0004559500000000 ] - [ -0.0002128400000000, -0.0013822000000000, -0.0000246100000000 ] - [ 0.0005431200000000, -0.0000107900000000, -0.0001415500000000 ] - [ -0.0012676800000000, 0.0025251100000000, -0.0004307300000000 ] - [ 0.0001627700000000, 0.0004596300000000, 0.0000441400000000 ] - [ 0.0000699100000000, 0.0008266800000000, -0.0001081100000000 ] - [ 0.0001548600000000, 0.0001877000000000, -0.0001323900000000 ] - [ 0.0007594900000000, -0.0003648600000000, -0.0009294100000000 ] - [ 0.0001221200000000, -0.0000488200000000, -0.0001646500000000 ] - [ -0.0000391100000000, 0.0006429400000000, 0.0002017600000000 ] - [ 0.0000571100000000, 0.0001296100000000, 0.0002086000000000 ] - [ -0.0020317700000000, -0.0035059500000000, 0.0003435700000000 ] - [ 0.0002740200000000, -0.0002287500000000, -0.0000709700000000 ]- atom: 59 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001216700000000, 0.0002375200000000, 0.0000425500000000 ] - [ 0.0001077700000000, 0.0007726200000000, -0.0003710700000000 ] - [ 0.0001686000000000, 0.0002757200000000, 0.0000464200000000 ] - [ 0.0002697300000000, 0.0004520100000000, -0.0000102100000000 ] - [ -0.0003192800000000, -0.0000265100000000, 0.0000149800000000 ] - [ 0.0000260500000000, 0.0000170700000000, -0.0001751600000000 ] - [ -0.0030569800000000, -0.0062411500000000, -0.0029557400000000 ] - [ 0.0002110900000000, 0.0000379400000000, 0.0000772800000000 ] - [ -0.0007458600000000, 0.0012849800000000, 0.0003608500000000 ] - [ 0.0003026200000000, 0.0001329900000000, -0.0000857900000000 ] - [ -0.0024038600000000, 0.0060007700000000, -0.0025213900000000 ] - [ 0.0000442400000000, 0.0000660800000000, 0.0000022600000000 ] - [ 0.0002231800000000, -0.0000821200000000, -0.0000577500000000 ] - [ 0.0001652100000000, 0.0000120400000000, -0.0005771100000000 ] - [ 0.0000729200000000, -0.0001646400000000, -0.0001198400000000 ] - [ -0.0000169000000000, -0.0009140700000000, -0.0001702800000000 ] - [ -0.0010804400000000, -0.0001668400000000, 0.0000941500000000 ] - [ 0.0006995800000000, -0.0000735300000000, 0.0001705800000000 ] - [ 0.0002728800000000, 0.0003579100000000, -0.0000063000000000 ] - [ 0.0000638300000000, 0.0001731800000000, 0.0000499600000000 ] - [ -0.0008209100000000, -0.0195684900000000, -0.0051514100000000 ] - [ 0.0004696800000000, -0.0000430600000000, -0.0001478400000000 ] - [ -0.0011541600000000, -0.0026678000000000, -0.0011665000000000 ] - [ 0.0001728400000000, -0.0001297000000000, -0.0001163000000000 ] - [ -0.0008781300000000, 0.0042683900000000, 0.0005619200000000 ] - [ -0.0000385300000000, 0.0001630900000000, 0.0000082100000000 ] - [ 0.0005037100000000, -0.0004288100000000, 0.0000359500000000 ] - [ -0.0071117200000000, -0.0166037700000000, -0.0000243700000000 ] - [ 0.0000391000000000, -0.0000763200000000, -0.0000500600000000 ] - [ 0.0027310000000000, 0.0015578300000000, 0.0035865100000000 ] - [ 0.0000496400000000, 0.0001327800000000, -0.0000737600000000 ] - [ -0.0009876400000000, 0.0016497800000000, 0.0010069400000000 ] - [ 0.0018471800000000, -0.0004304400000000, 0.0004604000000000 ] - [ -0.0045022100000000, -0.0005966000000000, 0.0003489500000000 ] - [ 0.0000321400000000, -0.0006195200000000, 0.0001255700000000 ] - [ 0.0009180100000000, -0.0010043300000000, -0.0007181300000000 ] - [ -0.0002457200000000, 0.0000706400000000, -0.0001321300000000 ] - [ 0.0009673000000000, 0.0003480400000000, 0.0008727200000000 ] - [ 0.0042099600000000, -0.0011938300000000, -0.0018836400000000 ] - [ -0.0002443600000000, -0.0001350200000000, -0.0004295500000000 ] - [ 0.0001526200000000, 0.0042162900000000, 0.0006204700000000 ] - [ -0.0001865600000000, 0.0007798700000000, 0.0002555600000000 ] - [ -0.0019819500000000, -0.0001033500000000, -0.0012034100000000 ] - [ 0.0005721400000000, 0.0004720600000000, 0.0001184100000000 ] - [ 0.0010582400000000, -0.0024009700000000, 0.0010264100000000 ] - [ -0.0002487000000000, -0.0002600100000000, 0.0000429400000000 ] - [ -0.0029827300000000, -0.0049388200000000, 0.0123079500000000 ] - [ 0.0000554900000000, 0.0000858200000000, 0.0000667800000000 ] - [ -0.0003092900000000, -0.0020442000000000, -0.0004414100000000 ] - [ -0.0000958700000000, -0.0002065100000000, -0.0000993700000000 ] - [ -0.0000750800000000, -0.0030064900000000, -0.0030552200000000 ] - [ -0.0000970600000000, -0.0000451700000000, 0.0001005800000000 ] - [ -0.0002114600000000, 0.0025820900000000, -0.0048845400000000 ] - [ -0.0000351900000000, 0.0002279800000000, 0.0000592100000000 ] - [ -0.0014231800000000, -0.0029806600000000, -0.0062697600000000 ] - [ -0.0000715000000000, 0.0000185900000000, -0.0000119800000000 ] - [ 0.0005258500000000, -0.0011364000000000, -0.0001189600000000 ] - [ -0.0000472600000000, 0.0000087200000000, 0.0000902600000000 ] - [ 0.0175216300000000, 0.0483747000000000, 0.0152699600000000 ] - [ -0.0002035700000000, 0.0000656000000000, -0.0000031500000000 ] - [ -0.0001328800000000, -0.0000238500000000, 0.0000928100000000 ] - [ 0.0006488300000000, -0.0005082800000000, -0.0003126900000000 ] - [ -0.0001980000000000, 0.0001497300000000, -0.0000252100000000 ] - [ -0.0027738800000000, 0.0059532500000000, -0.0024240400000000 ] - [ -0.0002088300000000, -0.0000480200000000, 0.0001094100000000 ] - [ 0.0008311200000000, -0.0003516000000000, 0.0000588500000000 ] - [ -0.0001156600000000, 0.0000856300000000, 0.0000503600000000 ] - [ 0.0000769200000000, -0.0018962700000000, -0.0003140500000000 ] - [ 0.0000367100000000, 0.0000613500000000, -0.0000186500000000 ] - [ -0.0060913800000000, -0.0035151600000000, -0.0030936500000000 ] - [ 0.0000122100000000, -0.0000388900000000, -0.0000509700000000 ] - [ -0.0013175900000000, 0.0014342800000000, 0.0014514800000000 ] - [ -0.0000255100000000, -0.0000145100000000, 0.0000747700000000 ] - [ -0.0006760000000000, -0.0006406100000000, -0.0009414300000000 ] - [ -0.0006853600000000, 0.0001891900000000, 0.0000352800000000 ] - [ 0.0141952900000000, -0.0046858000000000, 0.0003763500000000 ] - [ -0.0000704300000000, -0.0001597200000000, 0.0001154200000000 ] - [ 0.0001137000000000, -0.0004958300000000, -0.0000716600000000 ] - [ -0.0000594200000000, 0.0002507200000000, -0.0001552100000000 ] - [ -0.0031763100000000, 0.0000291800000000, -0.0001024700000000 ] - [ 0.0000310000000000, -0.0000744300000000, 0.0000573300000000 ] - [ -0.0014168400000000, -0.0000300900000000, -0.0009467700000000 ] - [ -0.0000470800000000, 0.0001780900000000, -0.0000177900000000 ] - [ -0.0003722900000000, 0.0002022000000000, -0.0000777500000000 ] - [ -0.0001543700000000, 0.0003421400000000, -0.0002471600000000 ] - [ 0.0001488100000000, 0.0009584100000000, -0.0008650200000000 ] - [ -0.0002851200000000, -0.0008147100000000, -0.0000779100000000 ] - [ 0.0001395500000000, -0.0010866600000000, 0.0001165000000000 ] - [ 0.0001245900000000, 0.0001649100000000, 0.0000397500000000 ] - [ -0.0003794900000000, 0.0000495700000000, -0.0001450100000000 ] - [ -0.0008697500000000, 0.0003268100000000, 0.0002741500000000 ] - [ 0.0001853600000000, 0.0003152300000000, 0.0007623000000000 ] - [ 0.0005155200000000, -0.0000012500000000, -0.0001020200000000 ] - [ -0.0005401100000000, -0.0000339800000000, -0.0001979400000000 ] - [ -0.0032807900000000, -0.0024964800000000, 0.0008074800000000 ] - [ 0.0011693900000000, -0.0001049100000000, 0.0003924100000000 ] - [ 0.0003145500000000, 0.0010992700000000, -0.0001022000000000 ] - [ -0.0004561600000000, -0.0002776700000000, 0.0000215500000000 ] - [ 0.0011724700000000, -0.0024966300000000, 0.0003995000000000 ] - [ -0.0002418800000000, -0.0004439600000000, -0.0000726700000000 ] - [ 0.0001168100000000, -0.0008569000000000, 0.0000678500000000 ] - [ 0.0000320400000000, -0.0002220100000000, 0.0000840800000000 ] - [ -0.0006280300000000, 0.0002948800000000, 0.0008582600000000 ] - [ 0.0000114600000000, -0.0000296100000000, 0.0000849300000000 ] - [ -0.0000015300000000, -0.0008227700000000, -0.0000272500000000 ] - [ -0.0000989600000000, -0.0003105900000000, -0.0000292000000000 ] - [ 0.0020190000000000, 0.0035675400000000, -0.0005793800000000 ] - [ -0.0003481300000000, 0.0002748500000000, -0.0001253500000000 ]- atom: 59 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ 0.0001786600000000, 0.0001984500000000, 0.0001274200000000 ] - [ -0.0003150100000000, 0.0007716000000000, -0.0005332900000000 ] - [ 0.0006335400000000, 0.0004930400000000, 0.0000149600000000 ] - [ -0.0003577800000000, -0.0001535400000000, 0.0007139700000000 ] - [ 0.0013821400000000, -0.0006085200000000, -0.0026654200000000 ] - [ 0.0001330600000000, 0.0001207500000000, -0.0004093100000000 ] - [ 0.0012005100000000, 0.0011586100000000, 0.0050158000000000 ] - [ 0.0008610600000000, 0.0000727000000000, 0.0000711800000000 ] - [ 0.0023410400000000, -0.0022062200000000, -0.0022693000000000 ] - [ 0.0005428000000000, -0.0001150900000000, 0.0000226600000000 ] - [ -0.0035060300000000, -0.0010134100000000, 0.0049301300000000 ] - [ 0.0008799500000000, 0.0001016700000000, 0.0001307800000000 ] - [ 0.0009522000000000, -0.0000984600000000, -0.0002502900000000 ] - [ -0.0026987900000000, 0.0008932900000000, -0.0094489400000000 ] - [ 0.0015623200000000, -0.0001753500000000, -0.0005500100000000 ] - [ -0.0036728500000000, 0.0017503700000000, -0.0009769900000000 ] - [ 0.0022300300000000, -0.0019583200000000, 0.0030644800000000 ] - [ 0.0006091000000000, 0.0010900200000000, 0.0021775200000000 ] - [ 0.0007777200000000, 0.0004983600000000, -0.0010972600000000 ] - [ 0.0000671500000000, -0.0007037200000000, -0.0009897500000000 ] - [ -0.0114300400000000, 0.0066794800000000, 0.0840482300000000 ] - [ 0.0020351700000000, 0.0007564000000000, -0.0004391600000000 ] - [ -0.0026366400000000, 0.0123280200000000, -0.0125438900000000 ] - [ 0.0015424500000000, -0.0002542700000000, -0.0001915300000000 ] - [ -0.0010679400000000, 0.0016113100000000, -0.0010154100000000 ] - [ 0.0015188600000000, 0.0003770400000000, -0.0008415400000000 ] - [ 0.0020149100000000, -0.0005280500000000, -0.0000721200000000 ] - [ 0.0195798600000000, 0.0049592500000000, 0.0219536100000000 ] - [ 0.0018349700000000, 0.0000199400000000, 0.0002247200000000 ] - [ -0.0143691500000000, -0.0060835600000000, 0.0117119600000000 ] - [ 0.0018292500000000, -0.0004488100000000, -0.0008215500000000 ] - [ -0.0036689000000000, 0.0016123200000000, -0.0018555200000000 ] - [ 0.0013407900000000, -0.0003294500000000, 0.0022944500000000 ] - [ 0.0047003600000000, -0.0051841200000000, 0.0019333500000000 ] - [ -0.0015141300000000, -0.0006534500000000, -0.0005848000000000 ] - [ 0.0081678800000000, 0.0014198100000000, -0.0071129400000000 ] - [ 0.0022518500000000, -0.0005199900000000, -0.0010225300000000 ] - [ -0.0025915300000000, 0.0019864400000000, -0.0035727900000000 ] - [ 0.0074525000000000, 0.0098914300000000, 0.0043526900000000 ] - [ 0.0011851000000000, 0.0003286800000000, 0.0017109000000000 ] - [ -0.0006472100000000, 0.0010846400000000, 0.0036692200000000 ] - [ 0.0019555300000000, -0.0004623800000000, 0.0003469600000000 ] - [ -0.0036629300000000, 0.0035528100000000, -0.0019411900000000 ] - [ 0.0017850800000000, 0.0020856800000000, -0.0008345200000000 ] - [ 0.0019912900000000, -0.0038788300000000, 0.0027041300000000 ] - [ -0.0012359400000000, -0.0005295100000000, 0.0003466300000000 ] - [ -0.0025291000000000, -0.0141766200000000, 0.0071668300000000 ] - [ -0.0008583000000000, -0.0001892600000000, -0.0001267000000000 ] - [ 0.0011940800000000, 0.0001776600000000, -0.0013258800000000 ] - [ -0.0012394600000000, -0.0001866300000000, 0.0002698000000000 ] - [ -0.0000045700000000, 0.0015100800000000, 0.0099526600000000 ] - [ -0.0004588900000000, -0.0000617300000000, 0.0003409800000000 ] - [ 0.0033448200000000, -0.0090425300000000, 0.0243359500000000 ] - [ -0.0004330600000000, 0.0000590300000000, 0.0001708900000000 ] - [ 0.0090876500000000, 0.0204659700000000, 0.0035280900000000 ] - [ -0.0009121400000000, -0.0002800800000000, 0.0000151700000000 ] - [ 0.0015908100000000, -0.0013818600000000, 0.0025810300000000 ] - [ -0.0007729900000000, 0.0001312400000000, 0.0003308800000000 ] - [ -0.0015586900000000, -0.0152103700000000, -0.1624824500000000 ] - [ -0.0011996500000000, -0.0000536800000000, 0.0001483800000000 ] - [ -0.0011807300000000, 0.0000392600000000, 0.0006169000000000 ] - [ 0.0008120700000000, -0.0003706500000000, 0.0016433600000000 ] - [ -0.0011120200000000, 0.0000800100000000, -0.0000526500000000 ] - [ 0.0271055200000000, 0.0041585300000000, 0.0082226300000000 ] - [ -0.0011762400000000, 0.0001230500000000, 0.0002780500000000 ] - [ 0.0029588300000000, -0.0018833500000000, 0.0009447000000000 ] - [ -0.0006563800000000, 0.0002069000000000, 0.0001253800000000 ] - [ 0.0020373300000000, 0.0012831500000000, -0.0003183800000000 ] - [ -0.0002788800000000, -0.0000218100000000, -0.0001608200000000 ] - [ -0.0016125500000000, -0.0103813900000000, -0.0127895300000000 ] - [ -0.0003313200000000, -0.0000790300000000, -0.0000028100000000 ] - [ -0.0118455500000000, -0.0018944600000000, 0.0115786500000000 ] - [ -0.0010200400000000, 0.0001995300000000, 0.0001880300000000 ] - [ 0.0029514400000000, 0.0002687700000000, 0.0014665700000000 ] - [ -0.0012743000000000, 0.0003049400000000, -0.0002071400000000 ] - [ -0.0051050900000000, 0.0075004100000000, -0.0047427800000000 ] - [ -0.0013125200000000, 0.0000317300000000, 0.0003777200000000 ] - [ 0.0019874400000000, -0.0004054500000000, 0.0006010300000000 ] - [ -0.0008731600000000, 0.0001338800000000, -0.0010859400000000 ] - [ -0.0106265700000000, 0.0015801200000000, 0.0013717200000000 ] - [ -0.0016545400000000, 0.0004546200000000, 0.0002629600000000 ] - [ 0.0025202200000000, 0.0002562300000000, 0.0001318600000000 ] - [ -0.0008175600000000, 0.0003298300000000, 0.0013894700000000 ] - [ 0.0003473100000000, -0.0009056200000000, 0.0037060500000000 ] - [ -0.0000664500000000, 0.0006474100000000, -0.0003396400000000 ] - [ -0.0005667000000000, 0.0015852100000000, 0.0011653200000000 ] - [ -0.0002771500000000, -0.0003327000000000, -0.0004232400000000 ] - [ -0.0011897200000000, 0.0017784800000000, -0.0002736400000000 ] - [ 0.0002380400000000, -0.0002785900000000, 0.0005985400000000 ] - [ -0.0007934700000000, -0.0019231300000000, 0.0018567200000000 ] - [ -0.0031392100000000, -0.0008592700000000, -0.0012657200000000 ] - [ -0.0000929400000000, -0.0000234300000000, -0.0020008800000000 ] - [ -0.0016703900000000, 0.0005100300000000, 0.0020711300000000 ] - [ 0.0004122500000000, -0.0002414400000000, 0.0008595900000000 ] - [ 0.0007386100000000, 0.0002419400000000, -0.0039950800000000 ] - [ -0.0015864900000000, 0.0006399100000000, -0.0011293700000000 ] - [ 0.0041344500000000, -0.0014255200000000, 0.0031165500000000 ] - [ -0.0027610900000000, -0.0018844900000000, 0.0006969200000000 ] - [ 0.0006429000000000, -0.0012779900000000, -0.0020614500000000 ] - [ -0.0005073400000000, -0.0002376400000000, -0.0001361900000000 ] - [ -0.0009391000000000, -0.0018596500000000, -0.0022904800000000 ] - [ -0.0001361800000000, 0.0002086400000000, -0.0006801900000000 ] - [ -0.0010314200000000, -0.0017711100000000, 0.0024267200000000 ] - [ -0.0006737700000000, 0.0000496400000000, -0.0003051400000000 ] - [ 0.0005378000000000, -0.0009384400000000, -0.0002647100000000 ] - [ -0.0007125800000000, -0.0003260800000000, 0.0004318000000000 ] - [ -0.0166561700000000, -0.0046639500000000, 0.0044050600000000 ] - [ -0.0011593500000000, -0.0003253200000000, -0.0004389500000000 ]- atom: 59 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ -0.0004496700000000, 0.0001249000000000, -0.0001300900000000 ] - [ 0.0000346600000000, -0.0004351900000000, 0.0005111000000000 ] - [ -0.0004301100000000, -0.0002311800000000, 0.0002105300000000 ] - [ 0.0005496800000000, 0.0004086700000000, -0.0004772100000000 ] - [ -0.0015576600000000, 0.0008607800000000, 0.0024190700000000 ] - [ -0.0003261600000000, 0.0001378900000000, 0.0001799700000000 ] - [ -0.0012939400000000, -0.0010988300000000, -0.0052749800000000 ] - [ -0.0005719900000000, 0.0002525200000000, -0.0000669900000000 ] - [ -0.0021352100000000, 0.0021991000000000, 0.0022418900000000 ] - [ -0.0003567000000000, 0.0001346900000000, -0.0000243600000000 ] - [ 0.0032845700000000, 0.0008814300000000, -0.0047623200000000 ] - [ -0.0010469600000000, -0.0001515000000000, -0.0000305700000000 ] - [ -0.0007553100000000, 0.0000476100000000, 0.0001498400000000 ] - [ 0.0028151500000000, -0.0009751000000000, 0.0093146300000000 ] - [ -0.0017178000000000, 0.0001992700000000, 0.0005492000000000 ] - [ 0.0034615500000000, -0.0017202900000000, 0.0009929400000000 ] - [ -0.0022490100000000, 0.0019708500000000, -0.0029271400000000 ] - [ -0.0006168600000000, -0.0010372100000000, -0.0020416200000000 ] - [ -0.0007382600000000, -0.0004583400000000, 0.0009881000000000 ] - [ -0.0000422700000000, 0.0007271900000000, 0.0008777700000000 ] - [ 0.0106427600000000, -0.0059105400000000, -0.0772989200000000 ] - [ -0.0017320600000000, -0.0006594900000000, 0.0003964300000000 ] - [ 0.0026305500000000, -0.0123495000000000, 0.0124043400000000 ] - [ -0.0014859000000000, 0.0000717400000000, 0.0001104300000000 ] - [ 0.0005474100000000, -0.0017313700000000, 0.0009050600000000 ] - [ -0.0019804400000000, -0.0005124800000000, 0.0007473700000000 ] - [ -0.0014932300000000, 0.0003819600000000, 0.0001376200000000 ] - [ -0.0189873800000000, -0.0050285900000000, -0.0218185000000000 ] - [ -0.0018350600000000, -0.0002029700000000, -0.0001350900000000 ] - [ 0.0141289100000000, 0.0058957900000000, -0.0113982900000000 ] - [ -0.0020629600000000, 0.0005237200000000, 0.0008484200000000 ] - [ 0.0033411800000000, -0.0015015400000000, 0.0018937800000000 ] - [ -0.0012985500000000, 0.0002157300000000, -0.0020705200000000 ] - [ -0.0045681300000000, 0.0049842300000000, -0.0017125300000000 ] - [ 0.0016434900000000, 0.0006443000000000, 0.0003137400000000 ] - [ -0.0080520600000000, -0.0014064400000000, 0.0067414300000000 ] - [ -0.0019349700000000, 0.0005606700000000, 0.0008586600000000 ] - [ 0.0028391600000000, -0.0019080300000000, 0.0033847300000000 ] - [ -0.0076916400000000, -0.0097335300000000, -0.0041149400000000 ] - [ -0.0014335100000000, -0.0002688800000000, -0.0015105800000000 ] - [ 0.0005343700000000, -0.0010868300000000, -0.0033766600000000 ] - [ -0.0020211400000000, 0.0004433000000000, -0.0000855500000000 ] - [ 0.0036315100000000, -0.0036836000000000, 0.0017055000000000 ] - [ -0.0017905900000000, -0.0021892000000000, 0.0006132700000000 ] - [ -0.0018405700000000, 0.0037469800000000, -0.0025938100000000 ] - [ 0.0013598700000000, 0.0003803600000000, -0.0002477300000000 ] - [ 0.0026198100000000, 0.0140369900000000, -0.0072445400000000 ] - [ 0.0009406200000000, 0.0002419500000000, 0.0000518300000000 ] - [ -0.0013229900000000, -0.0003978700000000, 0.0012872300000000 ] - [ 0.0010682400000000, -0.0000429600000000, -0.0003065500000000 ] - [ -0.0001057800000000, -0.0015801600000000, -0.0097529500000000 ] - [ 0.0003398500000000, 0.0000267100000000, -0.0001944900000000 ] - [ -0.0031746200000000, 0.0092075200000000, -0.0239382800000000 ] - [ 0.0005312600000000, 0.0002423000000000, -0.0001599200000000 ] - [ -0.0087984100000000, -0.0201050500000000, -0.0036347800000000 ] - [ 0.0010244900000000, 0.0002479300000000, -0.0001264700000000 ] - [ -0.0014297600000000, 0.0014962700000000, -0.0024136700000000 ] - [ 0.0008912300000000, 0.0000042500000000, -0.0001770600000000 ] - [ 0.0029945800000000, 0.0147026700000000, 0.1552787800000000 ] - [ 0.0011807100000000, 0.0000780700000000, -0.0002773700000000 ] - [ 0.0011607000000000, -0.0000112400000000, -0.0004740400000000 ] - [ -0.0007825900000000, 0.0003919700000000, -0.0014962300000000 ] - [ 0.0009617800000000, 0.0000536500000000, -0.0000956000000000 ] - [ -0.0268345200000000, -0.0039886600000000, -0.0083503500000000 ] - [ 0.0010281300000000, -0.0001491000000000, -0.0001622500000000 ] - [ -0.0030388800000000, 0.0018296200000000, -0.0008343700000000 ] - [ 0.0005404500000000, 0.0001041100000000, -0.0001326900000000 ] - [ -0.0021114100000000, -0.0009700500000000, 0.0002900600000000 ] - [ 0.0003863100000000, -0.0000132300000000, 0.0000141100000000 ] - [ 0.0016450300000000, 0.0101452800000000, 0.0124728800000000 ] - [ 0.0004624200000000, -0.0001483800000000, 0.0000563700000000 ] - [ 0.0121386600000000, 0.0016703100000000, -0.0114925600000000 ] - [ 0.0009026900000000, -0.0001371400000000, -0.0001149000000000 ] - [ -0.0030089100000000, -0.0002115300000000, -0.0013961300000000 ] - [ 0.0011109000000000, -0.0004464400000000, 0.0001127500000000 ] - [ 0.0047813300000000, -0.0074864800000000, 0.0046449000000000 ] - [ 0.0013441100000000, 0.0000068300000000, -0.0001815200000000 ] - [ -0.0019052000000000, 0.0004324900000000, -0.0004028300000000 ] - [ 0.0008875600000000, -0.0003195500000000, 0.0008879300000000 ] - [ 0.0104547400000000, -0.0017513300000000, -0.0015869200000000 ] - [ 0.0014896600000000, -0.0005299700000000, -0.0001653400000000 ] - [ -0.0026357200000000, -0.0003386000000000, -0.0000483700000000 ] - [ 0.0006153500000000, -0.0003521000000000, -0.0013166300000000 ] - [ -0.0005288600000000, 0.0008684200000000, -0.0036076800000000 ] - [ 0.0001317800000000, -0.0006083600000000, 0.0003737700000000 ] - [ 0.0006304300000000, -0.0015419100000000, -0.0011021800000000 ] - [ 0.0001893500000000, 0.0000752100000000, 0.0005426600000000 ] - [ 0.0010790000000000, -0.0020023800000000, 0.0003943300000000 ] - [ -0.0004578700000000, 0.0002444700000000, -0.0005466300000000 ] - [ 0.0005716500000000, 0.0018716200000000, -0.0017866700000000 ] - [ 0.0032322300000000, 0.0009936800000000, 0.0013844300000000 ] - [ 0.0002084200000000, 0.0001730700000000, 0.0021021200000000 ] - [ 0.0015175600000000, -0.0003544100000000, -0.0021857100000000 ] - [ -0.0005357500000000, 0.0003862100000000, -0.0009818200000000 ] - [ -0.0004943800000000, -0.0002602100000000, 0.0039113200000000 ] - [ 0.0017612300000000, -0.0006633700000000, 0.0010620400000000 ] - [ -0.0040769000000000, 0.0011786200000000, -0.0032315400000000 ] - [ 0.0028331100000000, 0.0016205200000000, -0.0008075600000000 ] - [ -0.0006993800000000, 0.0012973700000000, 0.0020274500000000 ] - [ 0.0004275800000000, 0.0002731500000000, 0.0001064700000000 ] - [ 0.0011178300000000, 0.0018133200000000, 0.0022013800000000 ] - [ 0.0003200100000000, -0.0002316600000000, 0.0006062500000000 ] - [ 0.0011621000000000, 0.0016696400000000, -0.0025148700000000 ] - [ 0.0008043600000000, -0.0001307000000000, 0.0001985400000000 ] - [ -0.0005655600000000, 0.0007487300000000, 0.0004606000000000 ] - [ 0.0006707400000000, 0.0001387900000000, -0.0002310500000000 ] - [ 0.0163206700000000, 0.0046332600000000, -0.0046297400000000 ] - [ 0.0010801100000000, 0.0003548000000000, 0.0002366000000000 ]- atom: 77 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ 0.0040666100000000, -0.0009125200000000, 0.0003722900000000 ] - [ -0.0014843300000000, 0.0002077500000000, -0.0002200200000000 ] - [ 0.0071175200000000, -0.0003726700000000, 0.0044602700000000 ] - [ -0.0010381300000000, -0.0002889600000000, 0.0005248700000000 ] - [ -0.0001479700000000, 0.0008524000000000, 0.0001454900000000 ] - [ -0.0010236500000000, 0.0006230600000000, 0.0000495700000000 ] - [ -0.0004948800000000, -0.0000650600000000, -0.0003756200000000 ] - [ -0.0002785800000000, 0.0008289600000000, 0.0005818800000000 ] - [ -0.0058563500000000, 0.0013782600000000, 0.0023467600000000 ] - [ -0.0030278000000000, -0.0029206300000000, -0.0021355900000000 ] - [ -0.0025149300000000, -0.0005179100000000, 0.0002436700000000 ] - [ 0.0013292200000000, 0.0024514000000000, -0.0018456600000000 ] - [ 0.0013776300000000, -0.0019325600000000, 0.0023818900000000 ] - [ -0.0024208600000000, 0.0002907500000000, -0.0002038700000000 ] - [ 0.0073769700000000, 0.0019198700000000, -0.0012029000000000 ] - [ -0.0026070100000000, 0.0000398300000000, 0.0003615700000000 ] - [ 0.0013019400000000, 0.0006785200000000, 0.0004850700000000 ] - [ -0.0018195900000000, 0.0000198200000000, 0.0001921800000000 ] - [ 0.0233281000000000, 0.0141198400000000, 0.0130015000000000 ] - [ -0.0032161000000000, -0.0000827200000000, -0.0000377400000000 ] - [ -0.0040782200000000, -0.0012309300000000, 0.0024270800000000 ] - [ 0.0013293800000000, 0.0005790300000000, -0.0040893600000000 ] - [ -0.0068456100000000, -0.0004651800000000, -0.0002305900000000 ] - [ -0.0068308900000000, 0.0093179900000000, -0.0016903000000000 ] - [ -0.0070394200000000, -0.0007167900000000, 0.0008638300000000 ] - [ -0.0093652900000000, -0.0019278900000000, 0.0091503800000000 ] - [ 0.0069020600000000, -0.0026272400000000, -0.0031165600000000 ] - [ -0.0042609300000000, 0.0010945500000000, 0.0017209700000000 ] - [ 0.0103921400000000, -0.0091874600000000, -0.0061382200000000 ] - [ -0.0043093000000000, -0.0001571000000000, 0.0001676600000000 ] - [ 0.0754534300000000, -0.0057245900000000, -0.0006500100000000 ] - [ -0.0061470400000000, 0.0020567000000000, 0.0018423500000000 ] - [ 0.0076707400000000, -0.0015365700000000, -0.0005019000000000 ] - [ -0.0047780900000000, 0.0020644000000000, -0.0006516500000000 ] - [ 0.0082234600000000, 0.0018807100000000, -0.0042516100000000 ] - [ -0.0045608900000000, -0.0001075500000000, 0.0002087000000000 ] - [ 0.0334071600000000, 0.0211193700000000, 0.0029523300000000 ] - [ -0.0054687900000000, 0.0013297900000000, -0.0021036900000000 ] - [ -0.0004560400000000, -0.0046638700000000, 0.0057951100000000 ] - [ -0.0045139500000000, 0.0008101000000000, -0.0031785400000000 ] - [ 0.0013907900000000, -0.0009415200000000, -0.0004973500000000 ] - [ -0.0050718400000000, 0.0000649000000000, 0.0013651700000000 ] - [ -0.0022987100000000, 0.0045380300000000, -0.0065060300000000 ] - [ -0.0051806800000000, -0.0032818200000000, -0.0005018400000000 ] - [ 0.0026125300000000, -0.0001983100000000, 0.0001543300000000 ] - [ 0.0032466500000000, 0.0032033000000000, -0.0008755600000000 ] - [ 0.0020715400000000, 0.0007933900000000, -0.0008186200000000 ] - [ 0.0016692100000000, -0.0015711200000000, 0.0022621400000000 ] - [ 0.0022239300000000, 0.0002980700000000, 0.0002610900000000 ] - [ 0.0026480600000000, -0.0003983100000000, -0.0033950500000000 ] - [ 0.0010181900000000, 0.0002752800000000, 0.0003019500000000 ] - [ 0.0008400600000000, -0.0020238000000000, -0.0017160100000000 ] - [ 0.0017693000000000, 0.0009188500000000, -0.0005868800000000 ] - [ 0.0007724000000000, -0.0028486900000000, 0.0016086600000000 ] - [ 0.0028723000000000, 0.0001457800000000, -0.0006307000000000 ] - [ -0.0006841300000000, 0.0015307300000000, 0.0014072700000000 ] - [ 0.0035146200000000, 0.0000359400000000, -0.0001848600000000 ] - [ 0.0222346700000000, -0.0013873900000000, -0.0008280300000000 ] - [ 0.0028506000000000, 0.0001084300000000, -0.0013728700000000 ] - [ -0.0029917400000000, -0.0000673200000000, 0.0018473500000000 ] - [ 0.0086899600000000, 0.0020134500000000, -0.0162154600000000 ] - [ 0.0036771400000000, -0.0003013500000000, -0.0010218700000000 ] - [ -0.0029367300000000, 0.0008717900000000, 0.0016097400000000 ] - [ 0.0022109600000000, 0.0000778700000000, -0.0006072300000000 ] - [ 0.0058898100000000, -0.0153068300000000, 0.0024693700000000 ] - [ 0.0032353100000000, -0.0005427800000000, -0.0004704100000000 ] - [ 0.0030091800000000, 0.0069816300000000, 0.0143406400000000 ] - [ 0.0013986400000000, -0.0002094200000000, -0.0004303400000000 ] - [ -0.0020383200000000, 0.0021727200000000, 0.0022850600000000 ] - [ 0.0010233200000000, -0.0002695400000000, -0.0005215700000000 ] - [ -0.0057040500000000, 0.0004431300000000, 0.0009460000000000 ] - [ 0.0029491500000000, -0.0003823500000000, -0.0006193000000000 ] - [ 0.0030181900000000, 0.0243034700000000, 0.0025579400000000 ] - [ 0.0027520900000000, -0.0007033600000000, 0.0000641000000000 ] - [ -0.0057852700000000, 0.0003597100000000, 0.0007215300000000 ] - [ 0.0032582500000000, -0.0008715700000000, -0.0003873100000000 ] - [ -0.1821550700000000, -0.0237591700000000, -0.0210863300000000 ] - [ 0.0038580600000000, -0.0006176700000000, 0.0001260900000000 ] - [ -0.0035386000000000, 0.0003648400000000, 0.0012474900000000 ] - [ 0.0021056000000000, -0.0005797600000000, -0.0002571400000000 ] - [ -0.0102666300000000, -0.0033536600000000, -0.0067006200000000 ] - [ 0.0025609000000000, -0.0001951000000000, 0.0006083300000000 ] - [ -0.0030495000000000, -0.0075762700000000, 0.0015294700000000 ] - [ 0.0013071000000000, -0.0002120900000000, 0.0003162500000000 ] - [ -0.0027512700000000, 0.0013654800000000, 0.0031731500000000 ] - [ 0.0012093800000000, -0.0004154000000000, 0.0001129700000000 ] - [ -0.0039545500000000, 0.0006605900000000, -0.0000619900000000 ] - [ 0.0028080900000000, -0.0011007000000000, 0.0000914300000000 ] - [ -0.0036602400000000, -0.0045477400000000, 0.0045522900000000 ] - [ 0.0023133300000000, 0.0002041300000000, 0.0007494700000000 ] - [ -0.0035428500000000, 0.0017599100000000, -0.0020138000000000 ] - [ 0.0031703900000000, -0.0001846500000000, 0.0005230500000000 ] - [ 0.0050703300000000, -0.0137129200000000, 0.0025098700000000 ] - [ 0.0036641400000000, 0.0007422800000000, 0.0005057000000000 ] - [ -0.0014745300000000, 0.0010159500000000, -0.0011230300000000 ] - [ 0.0021641100000000, -0.0006227500000000, 0.0006089600000000 ] - [ -0.0018058000000000, -0.0026334700000000, 0.0011677200000000 ] - [ 0.0025013400000000, 0.0009624300000000, -0.0001176800000000 ] - [ -0.0005566500000000, -0.0006631500000000, 0.0014059400000000 ] - [ 0.0009039900000000, 0.0009063800000000, -0.0003316500000000 ] - [ 0.0031958700000000, 0.0018828000000000, -0.0055242200000000 ] - [ 0.0017505600000000, -0.0001387900000000, 0.0005145500000000 ] - [ 0.0071900800000000, 0.0056192200000000, -0.0029757200000000 ] - [ 0.0040702700000000, -0.0011122400000000, 0.0019918500000000 ] - [ 0.0059534900000000, -0.0014131200000000, 0.0064524300000000 ] - [ 0.0036815300000000, 0.0009858100000000, -0.0011363200000000 ] - [ 0.0016316400000000, 0.0010501700000000, -0.0010333400000000 ] - [ 0.0007983900000000, -0.0007372600000000, 0.0005081700000000 ]- atom: 77 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ -0.0043997000000000, 0.0012510100000000, -0.0003596000000000 ] - [ 0.0012182000000000, 0.0001166900000000, 0.0002187400000000 ] - [ -0.0069101800000000, 0.0006565200000000, -0.0043506700000000 ] - [ 0.0012445200000000, 0.0005506900000000, -0.0003016800000000 ] - [ -0.0000308000000000, -0.0005987900000000, -0.0003754500000000 ] - [ 0.0008337400000000, -0.0003693200000000, -0.0002772100000000 ] - [ 0.0007840100000000, 0.0003892300000000, 0.0003831800000000 ] - [ 0.0005574500000000, -0.0005135900000000, -0.0005855600000000 ] - [ 0.0060342800000000, -0.0013368400000000, -0.0023440400000000 ] - [ 0.0032309400000000, 0.0029840100000000, 0.0021632700000000 ] - [ 0.0023522400000000, 0.0004683000000000, -0.0001458000000000 ] - [ -0.0015416400000000, -0.0025264800000000, 0.0019575600000000 ] - [ -0.0012364300000000, 0.0018907100000000, -0.0024922800000000 ] - [ 0.0026281400000000, -0.0003464700000000, 0.0001022200000000 ] - [ -0.0076530000000000, -0.0019161600000000, 0.0012078700000000 ] - [ 0.0024487800000000, -0.0000179100000000, -0.0003580800000000 ] - [ -0.0013066900000000, -0.0006574700000000, -0.0003988500000000 ] - [ 0.0018057700000000, 0.0000158500000000, -0.0000920100000000 ] - [ -0.0225308200000000, -0.0130719000000000, -0.0121974700000000 ] - [ 0.0032725800000000, 0.0001151300000000, -0.0000652900000000 ] - [ 0.0043907400000000, 0.0013288700000000, -0.0024773600000000 ] - [ -0.0011084400000000, -0.0005260600000000, 0.0041077600000000 ] - [ 0.0069139100000000, 0.0002773700000000, 0.0001464500000000 ] - [ 0.0069392100000000, -0.0096439800000000, 0.0016360400000000 ] - [ 0.0065930100000000, 0.0005891900000000, -0.0009579100000000 ] - [ 0.0089745400000000, 0.0018146000000000, -0.0093518000000000 ] - [ -0.0064983500000000, 0.0024954800000000, 0.0032268300000000 ] - [ 0.0047921500000000, -0.0012458100000000, -0.0016613900000000 ] - [ -0.0106000300000000, 0.0090568200000000, 0.0062269900000000 ] - [ 0.0043133200000000, -0.0000232400000000, -0.0000789000000000 ] - [ -0.0821710400000000, 0.0065494200000000, 0.0008314600000000 ] - [ 0.0059270800000000, -0.0019859200000000, -0.0018183600000000 ] - [ -0.0076976500000000, 0.0014113400000000, 0.0007377300000000 ] - [ 0.0048512300000000, -0.0022021300000000, 0.0008664400000000 ] - [ -0.0081772800000000, -0.0019359900000000, 0.0040798000000000 ] - [ 0.0047036100000000, 0.0000978800000000, -0.0004765900000000 ] - [ -0.0332124000000000, -0.0213495800000000, -0.0031124800000000 ] - [ 0.0057984800000000, -0.0012833100000000, 0.0019540400000000 ] - [ 0.0002343500000000, 0.0047266900000000, -0.0056208100000000 ] - [ 0.0042669600000000, -0.0007728200000000, 0.0033833500000000 ] - [ -0.0014697700000000, 0.0009438200000000, 0.0007645900000000 ] - [ 0.0050140500000000, -0.0000720200000000, -0.0011140300000000 ] - [ 0.0023682400000000, -0.0046392700000000, 0.0063012300000000 ] - [ 0.0051941900000000, 0.0031943200000000, 0.0002970200000000 ] - [ -0.0025090100000000, 0.0000438300000000, -0.0000565100000000 ] - [ -0.0031270600000000, -0.0033921100000000, 0.0009774100000000 ] - [ -0.0019957400000000, -0.0007412900000000, 0.0007488700000000 ] - [ -0.0015791800000000, 0.0016554400000000, -0.0023650900000000 ] - [ -0.0023935500000000, -0.0005277700000000, -0.0003019500000000 ] - [ -0.0028232800000000, 0.0001749900000000, 0.0033984800000000 ] - [ -0.0011409800000000, -0.0003128300000000, -0.0001579500000000 ] - [ -0.0009630200000000, 0.0020151500000000, 0.0018830900000000 ] - [ -0.0016759300000000, -0.0006150300000000, 0.0005991400000000 ] - [ -0.0006676700000000, 0.0032087500000000, -0.0016255100000000 ] - [ -0.0027684900000000, -0.0001759200000000, 0.0005236500000000 ] - [ 0.0008512600000000, -0.0015606200000000, -0.0015331500000000 ] - [ -0.0034011200000000, 0.0000993500000000, 0.0003390300000000 ] - [ -0.0225371100000000, 0.0015456400000000, 0.0009937500000000 ] - [ -0.0028791900000000, -0.0000834800000000, 0.0012475400000000 ] - [ 0.0030385000000000, 0.0000968600000000, -0.0020036300000000 ] - [ -0.0087379400000000, -0.0020316100000000, 0.0166486700000000 ] - [ -0.0037077000000000, 0.0003282600000000, 0.0011679300000000 ] - [ 0.0028548600000000, -0.0007299900000000, -0.0017731700000000 ] - [ -0.0023644300000000, 0.0000545200000000, 0.0004616700000000 ] - [ -0.0060455900000000, 0.0155704500000000, -0.0024053900000000 ] - [ -0.0033905400000000, 0.0005218600000000, 0.0005833300000000 ] - [ -0.0030859000000000, -0.0067403800000000, -0.0145453000000000 ] - [ -0.0015164800000000, 0.0005205600000000, 0.0004229300000000 ] - [ 0.0021793000000000, -0.0022229100000000, -0.0024367000000000 ] - [ -0.0009180800000000, 0.0002350500000000, 0.0003800400000000 ] - [ 0.0059243000000000, -0.0006724500000000, -0.0009179700000000 ] - [ -0.0028241300000000, 0.0001580700000000, 0.0006708700000000 ] - [ -0.0030695300000000, -0.0245841800000000, -0.0025050900000000 ] - [ -0.0028750300000000, 0.0007655100000000, 0.0000062200000000 ] - [ 0.0056951700000000, -0.0005015600000000, -0.0008213700000000 ] - [ -0.0034339200000000, 0.0007339000000000, 0.0002969500000000 ] - [ 0.1883860600000000, 0.0222336400000000, 0.0202358900000000 ] - [ -0.0038350600000000, 0.0006551700000000, 0.0000673900000000 ] - [ 0.0036008200000000, -0.0005463900000000, -0.0014625500000000 ] - [ -0.0020942500000000, 0.0003980300000000, 0.0000656900000000 ] - [ 0.0101954500000000, 0.0033902200000000, 0.0069566400000000 ] - [ -0.0027266800000000, 0.0001142200000000, -0.0005146900000000 ] - [ 0.0029450800000000, 0.0077418000000000, -0.0015155400000000 ] - [ -0.0015080500000000, 0.0001881900000000, -0.0002538600000000 ] - [ 0.0028244400000000, -0.0013543200000000, -0.0032144100000000 ] - [ -0.0011473600000000, 0.0004592200000000, -0.0000796800000000 ] - [ 0.0038758100000000, -0.0009204600000000, 0.0001909000000000 ] - [ -0.0029190800000000, 0.0008539900000000, 0.0000326600000000 ] - [ 0.0033983300000000, 0.0046266500000000, -0.0046171200000000 ] - [ -0.0025488400000000, -0.0002428100000000, -0.0007084200000000 ] - [ 0.0036476000000000, -0.0016444300000000, 0.0021827700000000 ] - [ -0.0030708400000000, 0.0003352700000000, -0.0003958800000000 ] - [ -0.0051349800000000, 0.0136944100000000, -0.0026203000000000 ] - [ -0.0038257200000000, -0.0006043100000000, -0.0006431700000000 ] - [ 0.0016832700000000, -0.0010512800000000, 0.0010752800000000 ] - [ -0.0019673000000000, 0.0005949000000000, -0.0006628100000000 ] - [ 0.0018638700000000, 0.0023845500000000, -0.0012943900000000 ] - [ -0.0024374900000000, -0.0012278000000000, -0.0000044200000000 ] - [ 0.0004733800000000, 0.0006873400000000, -0.0014477100000000 ] - [ -0.0009824400000000, -0.0008799800000000, 0.0003017800000000 ] - [ -0.0030088500000000, -0.0019102800000000, 0.0054387300000000 ] - [ -0.0015773700000000, 0.0001158600000000, -0.0005856400000000 ] - [ -0.0070671300000000, -0.0056694100000000, 0.0028779200000000 ] - [ -0.0039694000000000, 0.0010482900000000, -0.0021177200000000 ] - [ -0.0060064200000000, 0.0012207300000000, -0.0062451700000000 ] - [ -0.0037489200000000, -0.0011847000000000, 0.0013457000000000 ] - [ -0.0017234700000000, -0.0010174900000000, 0.0008421000000000 ] - [ -0.0008487900000000, 0.0007862000000000, -0.0007097000000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014584000000000, 0.0023353400000000, -0.0000695800000000 ] - [ 0.0001321900000000, 0.0002032100000000, 0.0000300800000000 ] - [ -0.0005584400000000, 0.0066777900000000, 0.0033904400000000 ] - [ 0.0002996500000000, 0.0002427000000000, 0.0000585800000000 ] - [ 0.0013758200000000, -0.0025020900000000, -0.0008938100000000 ] - [ 0.0000032100000000, -0.0000778200000000, -0.0000702700000000 ] - [ 0.0004422000000000, -0.0004816600000000, 0.0002700200000000 ] - [ 0.0000887700000000, -0.0002628600000000, -0.0003392500000000 ] - [ 0.0021093700000000, 0.0029809000000000, -0.0018451400000000 ] - [ 0.0001715700000000, 0.0015884500000000, 0.0007812100000000 ] - [ 0.0000820300000000, 0.0001989200000000, 0.0001796300000000 ] - [ -0.0002470900000000, -0.0003456900000000, 0.0006652000000000 ] - [ -0.0030531100000000, -0.0010718100000000, 0.0015709900000000 ] - [ 0.0013039000000000, -0.0005519600000000, -0.0002694200000000 ] - [ -0.0012948500000000, -0.0089075000000000, 0.0006140300000000 ] - [ 0.0002889400000000, -0.0001629000000000, -0.0000016000000000 ] - [ 0.0020312900000000, -0.0018449300000000, -0.0015371200000000 ] - [ 0.0000867500000000, 0.0000640000000000, -0.0000738000000000 ] - [ 0.0138693200000000, 0.0197097100000000, 0.0116269000000000 ] - [ 0.0008278500000000, 0.0001144400000000, -0.0001757700000000 ] - [ 0.0011989600000000, -0.0011889900000000, -0.0003050900000000 ] - [ -0.0024044500000000, -0.0027690900000000, 0.0014767800000000 ] - [ -0.0028863500000000, -0.0004905500000000, -0.0010554100000000 ] - [ 0.0061435700000000, -0.0045610200000000, 0.0005166700000000 ] - [ 0.0001138800000000, 0.0025859300000000, 0.0000733800000000 ] - [ 0.0028754800000000, 0.0016943500000000, -0.0030069000000000 ] - [ -0.0019189100000000, -0.0027858600000000, 0.0011257900000000 ] - [ 0.0012064800000000, -0.0005313200000000, -0.0001683800000000 ] - [ -0.0095531100000000, 0.0049172900000000, -0.0052307900000000 ] - [ 0.0010660600000000, 0.0000825000000000, 0.0000643500000000 ] - [ 0.0153101000000000, 0.0211329500000000, 0.0002568700000000 ] - [ 0.0008378300000000, 0.0003613400000000, -0.0004266500000000 ] - [ 0.0005778100000000, -0.0010605700000000, 0.0011930300000000 ] - [ 0.0008685100000000, -0.0005134500000000, 0.0002791400000000 ] - [ -0.0020662100000000, -0.0135584100000000, 0.0112326400000000 ] - [ 0.0008901000000000, -0.0001521800000000, -0.0002472500000000 ] - [ -0.0038894000000000, 0.0299883400000000, 0.0047397900000000 ] - [ 0.0010337700000000, -0.0000660200000000, 0.0003217200000000 ] - [ -0.0043607200000000, -0.0021001000000000, 0.0045343500000000 ] - [ 0.0006683900000000, -0.0007242800000000, 0.0015885000000000 ] - [ -0.0003235900000000, 0.0038006400000000, 0.0010887900000000 ] - [ 0.0010015400000000, 0.0002807600000000, -0.0003476500000000 ] - [ 0.0071075100000000, 0.0035100800000000, 0.0078952700000000 ] - [ 0.0005289300000000, 0.0007773800000000, 0.0000025700000000 ] - [ -0.0029164100000000, -0.0020429100000000, -0.0005186100000000 ] - [ 0.0001319300000000, -0.0018384700000000, -0.0002803500000000 ] - [ 0.0010145400000000, 0.0005804100000000, -0.0003803700000000 ] - [ -0.0003640800000000, 0.0013409300000000, -0.0013465300000000 ] - [ -0.0000807400000000, -0.0004855800000000, -0.0002989700000000 ] - [ -0.0006991400000000, -0.0001748800000000, 0.0012788400000000 ] - [ 0.0000784600000000, -0.0005902300000000, 0.0008831900000000 ] - [ -0.0003938900000000, 0.0003940200000000, 0.0013085000000000 ] - [ -0.0003587700000000, 0.0017294900000000, 0.0002804500000000 ] - [ 0.0005283800000000, 0.0033150100000000, -0.0008182700000000 ] - [ -0.0010901600000000, 0.0003356100000000, 0.0004728500000000 ] - [ 0.0025975500000000, 0.0005549900000000, 0.0002012400000000 ] - [ -0.0004131900000000, -0.0008956600000000, 0.0002842700000000 ] - [ -0.0061821600000000, 0.0016639700000000, 0.0005012600000000 ] - [ -0.0006798600000000, 0.0001909000000000, -0.0000638900000000 ] - [ 0.0015027700000000, 0.0005223400000000, -0.0004729900000000 ] - [ -0.0035925100000000, -0.0035210200000000, 0.0046214800000000 ] - [ -0.0006190000000000, -0.0002409200000000, 0.0004024500000000 ] - [ 0.0021780400000000, 0.0018575100000000, 0.0003379600000000 ] - [ -0.0005035700000000, 0.0002480200000000, -0.0000679000000000 ] - [ -0.0134225400000000, 0.0085434600000000, -0.0010185500000000 ] - [ 0.0001314600000000, -0.0003023200000000, -0.0000001600000000 ] - [ -0.0015515700000000, -0.0074152600000000, -0.0043183100000000 ] - [ -0.0002690900000000, -0.0000144000000000, 0.0000088300000000 ] - [ 0.0011434700000000, 0.0005795500000000, 0.0013709300000000 ] - [ -0.0001681000000000, 0.0000736800000000, -0.0000379100000000 ] - [ 0.0023776100000000, 0.0009119500000000, -0.0016951800000000 ] - [ -0.0005646100000000, 0.0000478100000000, 0.0001190900000000 ] - [ 0.0230731600000000, 0.0090297100000000, 0.0025881500000000 ] - [ -0.0006631300000000, -0.0000197800000000, 0.0000671700000000 ] - [ -0.0002697800000000, 0.0016663900000000, -0.0003754700000000 ] - [ -0.0006382800000000, 0.0001900500000000, -0.0000401700000000 ] - [ -0.0237474700000000, -0.1334301000000000, -0.0229557600000000 ] - [ -0.0005995100000000, -0.0000817300000000, 0.0000773900000000 ] - [ 0.0006105300000000, 0.0029416100000000, -0.0016131200000000 ] - [ -0.0003393600000000, 0.0000849900000000, -0.0000414200000000 ] - [ 0.0053220600000000, 0.0062552100000000, 0.0160326100000000 ] - [ -0.0005459700000000, -0.0000398500000000, -0.0001032500000000 ] - [ 0.0030305500000000, 0.0233170100000000, -0.0065473600000000 ] - [ -0.0003241000000000, 0.0000961700000000, -0.0000052600000000 ] - [ -0.0001368600000000, 0.0112368300000000, 0.0039122400000000 ] - [ -0.0002081500000000, 0.0002136000000000, 0.0000292600000000 ] - [ 0.0005532600000000, -0.0015141200000000, 0.0000538300000000 ] - [ -0.0005917000000000, 0.0000214900000000, 0.0000780000000000 ] - [ -0.0028091400000000, 0.0078692500000000, -0.0128363300000000 ] - [ -0.0004844900000000, -0.0000651300000000, -0.0001102500000000 ] - [ 0.0025681000000000, 0.0043499500000000, -0.0058413000000000 ] - [ -0.0005295700000000, 0.0002143200000000, -0.0001764800000000 ] - [ -0.0144999200000000, 0.0060169300000000, -0.0033178000000000 ] - [ -0.0005171600000000, -0.0001469000000000, -0.0002817600000000 ] - [ 0.0005997500000000, -0.0006163600000000, -0.0014117500000000 ] - [ -0.0002650100000000, 0.0001590300000000, -0.0002129300000000 ] - [ -0.0010902900000000, 0.0019653900000000, -0.0016405600000000 ] - [ -0.0003068700000000, -0.0002759700000000, 0.0000016600000000 ] - [ -0.0008238300000000, -0.0026784000000000, -0.0019856000000000 ] - [ -0.0001231300000000, -0.0004282300000000, 0.0001357800000000 ] - [ 0.0010874200000000, -0.0020718200000000, -0.0016169800000000 ] - [ -0.0001731700000000, -0.0001146100000000, -0.0001436900000000 ] - [ 0.0065041000000000, 0.0043823400000000, -0.0020394500000000 ] - [ -0.0019077000000000, 0.0004038000000000, -0.0013152400000000 ] - [ 0.0012422200000000, -0.0036548700000000, 0.0009934900000000 ] - [ -0.0010172800000000, -0.0006518700000000, 0.0005290900000000 ] - [ -0.0010506800000000, 0.0026087100000000, 0.0002179600000000 ] - [ 0.0007293900000000, 0.0008630300000000, -0.0003708700000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012085200000000, -0.0020544900000000, 0.0000860100000000 ] - [ -0.0004145300000000, 0.0001141800000000, -0.0000385900000000 ] - [ 0.0007800000000000, -0.0064262800000000, -0.0032747100000000 ] - [ -0.0001108400000000, 0.0000141700000000, 0.0001690300000000 ] - [ -0.0015931200000000, 0.0027815200000000, 0.0006769500000000 ] - [ -0.0001998000000000, 0.0003382500000000, -0.0001568100000000 ] - [ -0.0001738000000000, 0.0008066800000000, -0.0002645800000000 ] - [ 0.0001874900000000, 0.0005874600000000, 0.0003540000000000 ] - [ -0.0019289700000000, -0.0029983900000000, 0.0018603000000000 ] - [ -0.0000065900000000, -0.0016016200000000, -0.0008048100000000 ] - [ -0.0002714500000000, -0.0002513400000000, -0.0000810300000000 ] - [ 0.0000717100000000, 0.0003251600000000, -0.0005809900000000 ] - [ 0.0032715100000000, 0.0010124100000000, -0.0016808600000000 ] - [ -0.0011420800000000, 0.0005047400000000, 0.0001716900000000 ] - [ 0.0011787000000000, 0.0089568600000000, -0.0005700100000000 ] - [ -0.0004825200000000, 0.0001884500000000, 0.0000030200000000 ] - [ -0.0020829800000000, 0.0018888600000000, 0.0016537300000000 ] - [ -0.0001218600000000, -0.0000332600000000, 0.0001747500000000 ] - [ -0.0129055700000000, -0.0191004000000000, -0.0109565700000000 ] - [ -0.0008201600000000, -0.0000778400000000, 0.0000775400000000 ] - [ -0.0009606700000000, 0.0012699100000000, 0.0002949800000000 ] - [ 0.0027082300000000, 0.0028650900000000, -0.0015217800000000 ] - [ 0.0028998000000000, 0.0003118500000000, 0.0009517300000000 ] - [ -0.0061076200000000, 0.0044851000000000, -0.0006462200000000 ] - [ -0.0006228800000000, -0.0027530500000000, -0.0001644100000000 ] - [ -0.0034806200000000, -0.0018438300000000, 0.0030039000000000 ] - [ 0.0024809900000000, 0.0026470400000000, -0.0010761000000000 ] - [ -0.0007215500000000, 0.0003944700000000, 0.0002598300000000 ] - [ 0.0096510300000000, -0.0052679000000000, 0.0053509300000000 ] - [ -0.0011217600000000, -0.0002784800000000, 0.0000426000000000 ] - [ -0.0156228900000000, -0.0211547200000000, -0.0002642400000000 ] - [ -0.0011348000000000, -0.0002730500000000, 0.0004583900000000 ] - [ -0.0005216400000000, 0.0010125800000000, -0.0010002000000000 ] - [ -0.0008544700000000, 0.0004357400000000, -0.0000673600000000 ] - [ 0.0022037800000000, 0.0136330400000000, -0.0116555900000000 ] - [ -0.0008133500000000, 0.0001440300000000, -0.0000083900000000 ] - [ 0.0046819800000000, -0.0341090400000000, -0.0050021100000000 ] - [ -0.0007852400000000, 0.0001263700000000, -0.0005014500000000 ] - [ 0.0040830600000000, 0.0022019100000000, -0.0043600800000000 ] - [ -0.0009610700000000, 0.0007986900000000, -0.0014319300000000 ] - [ 0.0002231000000000, -0.0038394200000000, -0.0008363500000000 ] - [ -0.0011371500000000, -0.0002849800000000, 0.0006233300000000 ] - [ -0.0072182200000000, -0.0036825400000000, -0.0082001200000000 ] - [ -0.0005908600000000, -0.0008998700000000, -0.0002172600000000 ] - [ 0.0031193100000000, 0.0019089000000000, 0.0006141700000000 ] - [ 0.0000415400000000, 0.0017143000000000, 0.0003672100000000 ] - [ -0.0008876400000000, -0.0005437400000000, 0.0002938400000000 ] - [ 0.0004883200000000, -0.0013200400000000, 0.0012723900000000 ] - [ -0.0000549300000000, 0.0002673600000000, 0.0002706700000000 ] - [ 0.0005873200000000, -0.0000500600000000, -0.0013377000000000 ] - [ -0.0001961500000000, 0.0005690200000000, -0.0007203100000000 ] - [ 0.0002768100000000, -0.0004469700000000, -0.0011377700000000 ] - [ 0.0004760500000000, -0.0014183000000000, -0.0002654000000000 ] - [ -0.0004351500000000, -0.0030256100000000, 0.0008467700000000 ] - [ 0.0012311600000000, -0.0003462800000000, -0.0005852900000000 ] - [ -0.0025009500000000, -0.0005535500000000, -0.0003079200000000 ] - [ 0.0005524500000000, 0.0010281300000000, -0.0001426300000000 ] - [ 0.0065503900000000, -0.0015253600000000, -0.0003575300000000 ] - [ 0.0006772100000000, -0.0001739100000000, -0.0000906300000000 ] - [ -0.0015493200000000, -0.0005095300000000, 0.0003358200000000 ] - [ 0.0037611600000000, 0.0035511600000000, -0.0046168200000000 ] - [ 0.0006512700000000, 0.0002610800000000, -0.0002584700000000 ] - [ -0.0023410600000000, -0.0017294800000000, -0.0004849300000000 ] - [ 0.0003916000000000, -0.0001218600000000, -0.0000765400000000 ] - [ 0.0131314800000000, -0.0085653100000000, 0.0011197300000000 ] - [ -0.0002403400000000, 0.0002822100000000, 0.0001037600000000 ] - [ 0.0015463500000000, 0.0078514500000000, 0.0044602500000000 ] - [ 0.0001706700000000, 0.0003419400000000, -0.0000273800000000 ] - [ -0.0010429500000000, -0.0005855200000000, -0.0015397000000000 ] - [ 0.0002957800000000, -0.0000929000000000, -0.0001329200000000 ] - [ -0.0022944900000000, -0.0011346100000000, 0.0017576300000000 ] - [ 0.0007183300000000, -0.0002703300000000, -0.0000959500000000 ] - [ -0.0236056400000000, -0.0090610300000000, -0.0025299000000000 ] - [ 0.0005609200000000, 0.0000624900000000, 0.0000192400000000 ] - [ 0.0000730600000000, -0.0018439300000000, 0.0002963700000000 ] - [ 0.0004849100000000, -0.0003574600000000, -0.0000472000000000 ] - [ 0.0222737300000000, 0.1377887000000000, 0.0226496400000000 ] - [ 0.0006822900000000, 0.0001223700000000, 0.0001175200000000 ] - [ -0.0005908900000000, -0.0031373800000000, 0.0014641300000000 ] - [ 0.0003923900000000, -0.0002608500000000, -0.0001411600000000 ] - [ -0.0055432900000000, -0.0063668100000000, -0.0162747100000000 ] - [ 0.0004273800000000, -0.0000396200000000, 0.0001886600000000 ] - [ -0.0032761700000000, -0.0237506800000000, 0.0066985600000000 ] - [ 0.0001437800000000, -0.0001298300000000, 0.0000565200000000 ] - [ 0.0002175900000000, -0.0112820600000000, -0.0038477500000000 ] - [ 0.0002943500000000, -0.0001927600000000, -0.0000094100000000 ] - [ -0.0006705600000000, 0.0012114200000000, 0.0000765200000000 ] - [ 0.0005046600000000, -0.0003169000000000, 0.0000467800000000 ] - [ 0.0026149600000000, -0.0079314900000000, 0.0131216200000000 ] - [ 0.0002751100000000, 0.0000456300000000, 0.0001798000000000 ] - [ -0.0024665500000000, -0.0042191700000000, 0.0059546600000000 ] - [ 0.0006485800000000, -0.0000713100000000, 0.0003189700000000 ] - [ 0.0146719400000000, -0.0058911900000000, 0.0032205000000000 ] - [ 0.0004273000000000, 0.0003014600000000, 0.0001476100000000 ] - [ -0.0003723900000000, 0.0005886900000000, 0.0013478800000000 ] - [ 0.0005002600000000, -0.0001878300000000, 0.0001460800000000 ] - [ 0.0012167100000000, -0.0022547100000000, 0.0015360300000000 ] - [ 0.0004210300000000, 0.0000037000000000, -0.0001276100000000 ] - [ 0.0007560500000000, 0.0027320400000000, 0.0019856400000000 ] - [ 0.0000493800000000, 0.0004557600000000, -0.0001650600000000 ] - [ -0.0009301300000000, 0.0020249300000000, 0.0016096800000000 ] - [ 0.0003717700000000, 0.0000734700000000, 0.0000996000000000 ] - [ -0.0063326200000000, -0.0044782400000000, 0.0019588300000000 ] - [ 0.0020532700000000, -0.0004991000000000, 0.0012448900000000 ] - [ -0.0013291400000000, 0.0035105400000000, -0.0008551400000000 ] - [ 0.0010108500000000, 0.0004850200000000, -0.0003649300000000 ] - [ 0.0010050200000000, -0.0025823800000000, -0.0004184500000000 ] - [ -0.0008049900000000, -0.0008277400000000, 0.0001810600000000 ]- atom: 77 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ 0.0007454100000000, 0.0013501300000000, -0.0028239800000000 ] - [ -0.0001400100000000, 0.0001923900000000, -0.0000568800000000 ] - [ 0.0012278600000000, 0.0015092900000000, -0.0014750100000000 ] - [ 0.0000858900000000, 0.0001167300000000, 0.0001138700000000 ] - [ -0.0000413000000000, 0.0001540500000000, 0.0001869400000000 ] - [ -0.0001616600000000, 0.0001432600000000, -0.0000036100000000 ] - [ -0.0000053700000000, 0.0002080400000000, -0.0002616200000000 ] - [ 0.0001028500000000, 0.0000517400000000, -0.0001578800000000 ] - [ 0.0014329000000000, -0.0004048000000000, 0.0006343600000000 ] - [ -0.0004586000000000, 0.0002992500000000, 0.0006325700000000 ] - [ 0.0001144700000000, -0.0000987000000000, -0.0001450000000000 ] - [ -0.0010017200000000, 0.0010210900000000, -0.0012366900000000 ] - [ -0.0000085400000000, 0.0001509900000000, 0.0006578400000000 ] - [ -0.0000212300000000, 0.0001183300000000, 0.0001241100000000 ] - [ -0.0006554600000000, 0.0007217400000000, 0.0008886800000000 ] - [ -0.0000785500000000, 0.0000014100000000, 0.0000667700000000 ] - [ 0.0011452700000000, -0.0005281900000000, -0.0016301700000000 ] - [ -0.0001471900000000, 0.0001126300000000, -0.0000867600000000 ] - [ 0.0165738300000000, 0.0155244000000000, 0.0208495600000000 ] - [ 0.0001327400000000, -0.0001324000000000, 0.0001266900000000 ] - [ 0.0009528800000000, 0.0003591300000000, -0.0001133600000000 ] - [ -0.0012035100000000, -0.0012652000000000, 0.0000903000000000 ] - [ 0.0003164900000000, -0.0003751200000000, 0.0007505400000000 ] - [ -0.0003218400000000, -0.0012498300000000, 0.0011488200000000 ] - [ -0.0023420100000000, -0.0005611300000000, 0.0002048100000000 ] - [ 0.0043864300000000, -0.0001656000000000, -0.0013381200000000 ] - [ 0.0007798400000000, -0.0013191500000000, -0.0020120100000000 ] - [ 0.0004033700000000, -0.0000619000000000, -0.0001757000000000 ] - [ -0.0048455300000000, -0.0055485100000000, -0.0014005700000000 ] - [ 0.0002141400000000, 0.0000532400000000, 0.0000663300000000 ] - [ -0.0032723400000000, 0.0001741700000000, 0.0151535300000000 ] - [ -0.0001353100000000, -0.0000784800000000, 0.0004488700000000 ] - [ 0.0002341400000000, 0.0004431600000000, -0.0062423900000000 ] - [ 0.0000552800000000, -0.0001945200000000, -0.0000624900000000 ] - [ 0.0011965100000000, 0.0011516700000000, 0.0002398700000000 ] - [ 0.0001439200000000, 0.0000509300000000, -0.0001502800000000 ] - [ 0.0010666600000000, -0.0025358600000000, 0.0187946300000000 ] - [ 0.0001222500000000, 0.0001062900000000, 0.0001217300000000 ] - [ 0.0033021100000000, 0.0021379900000000, 0.0002798300000000 ] - [ -0.0005986200000000, -0.0003553000000000, -0.0000157100000000 ] - [ 0.0004947000000000, -0.0009700000000000, -0.0063715200000000 ] - [ 0.0001350400000000, -0.0001241500000000, -0.0007918100000000 ] - [ -0.0036189200000000, 0.0017953700000000, -0.0000532700000000 ] - [ 0.0004127800000000, 0.0005366500000000, -0.0000817000000000 ] - [ 0.0009538400000000, -0.0002031300000000, -0.0002927600000000 ] - [ -0.0002781900000000, -0.0009841700000000, -0.0001316200000000 ] - [ -0.0006360700000000, -0.0001780300000000, -0.0002971400000000 ] - [ 0.0004434400000000, 0.0002514900000000, -0.0004046400000000 ] - [ -0.0000435300000000, 0.0000863800000000, 0.0010835800000000 ] - [ -0.0000850600000000, -0.0000436200000000, 0.0015211700000000 ] - [ 0.0001381400000000, 0.0003067800000000, -0.0003420600000000 ] - [ -0.0001692800000000, 0.0009760000000000, -0.0005765700000000 ] - [ -0.0000390900000000, 0.0001286000000000, -0.0002589000000000 ] - [ 0.0002708400000000, 0.0007215900000000, -0.0004957400000000 ] - [ -0.0002263600000000, -0.0000771500000000, -0.0000849000000000 ] - [ 0.0018812300000000, 0.0012571200000000, -0.0005028200000000 ] - [ 0.0000109400000000, 0.0001800600000000, -0.0003215100000000 ] - [ -0.0007947500000000, 0.0005579800000000, 0.0010966400000000 ] - [ -0.0001465000000000, -0.0000111200000000, 0.0002111500000000 ] - [ 0.0000814300000000, 0.0001772100000000, 0.0004167000000000 ] - [ -0.0119375200000000, -0.0004700600000000, 0.0046427600000000 ] - [ 0.0005719500000000, -0.0000172500000000, -0.0002542600000000 ] - [ 0.0011071800000000, 0.0014770000000000, 0.0003069300000000 ] - [ -0.0002805400000000, 0.0000080500000000, -0.0000299900000000 ] - [ 0.0010341800000000, -0.0001417700000000, -0.0022481700000000 ] - [ -0.0001747700000000, 0.0001371500000000, -0.0000273000000000 ] - [ 0.0102270900000000, 0.0037400700000000, 0.0061983400000000 ] - [ -0.0000970800000000, 0.0001207900000000, -0.0000898300000000 ] - [ 0.0000184100000000, 0.0008335500000000, 0.0021647500000000 ] - [ 0.0000465300000000, -0.0000504100000000, -0.0000020000000000 ] - [ -0.0010346500000000, -0.0000429700000000, 0.0008931500000000 ] - [ 0.0000627500000000, -0.0001476500000000, 0.0001108700000000 ] - [ 0.0018891200000000, 0.0014738400000000, -0.0060030500000000 ] - [ -0.0000531900000000, -0.0000212800000000, -0.0000739300000000 ] - [ -0.0005207600000000, 0.0000418400000000, 0.0007409200000000 ] - [ -0.0001400600000000, -0.0000323400000000, 0.0000158400000000 ] - [ -0.0200184800000000, -0.0230400200000000, -0.0702529100000000 ] - [ 0.0000400600000000, 0.0000058900000000, 0.0000025400000000 ] - [ -0.0003454600000000, 0.0001539200000000, 0.0019350300000000 ] - [ 0.0000011800000000, -0.0000718400000000, -0.0000051700000000 ] - [ 0.0019286200000000, 0.0109325900000000, 0.0051389500000000 ] - [ -0.0000879100000000, -0.0000785400000000, -0.0000461300000000 ] - [ -0.0000149800000000, 0.0020999400000000, -0.0008755600000000 ] - [ -0.0000918700000000, -0.0000574700000000, -0.0000487000000000 ] - [ 0.0000649700000000, 0.0039196000000000, 0.0048690400000000 ] - [ 0.0000082300000000, 0.0000416500000000, 0.0000572400000000 ] - [ -0.0001692900000000, -0.0004541000000000, 0.0030266200000000 ] - [ -0.0001575500000000, -0.0000196300000000, 0.0001894500000000 ] - [ 0.0019376500000000, -0.0098476000000000, 0.0041724600000000 ] - [ -0.0002199300000000, -0.0001043500000000, -0.0000631400000000 ] - [ -0.0018592900000000, -0.0031147800000000, 0.0039644900000000 ] - [ 0.0002007100000000, 0.0001279200000000, 0.0001509500000000 ] - [ -0.0007982800000000, 0.0001403100000000, -0.0035351500000000 ] - [ 0.0000016900000000, -0.0000008400000000, -0.0003163700000000 ] - [ 0.0001084200000000, 0.0000579100000000, 0.0012508200000000 ] - [ 0.0001244700000000, 0.0001448200000000, 0.0001661400000000 ] - [ 0.0008350400000000, -0.0008888200000000, -0.0002360300000000 ] - [ -0.0000201600000000, -0.0003144800000000, -0.0000618800000000 ] - [ -0.0001868400000000, 0.0000822800000000, 0.0014121000000000 ] - [ -0.0000369000000000, -0.0001251800000000, 0.0002429600000000 ] - [ -0.0029366100000000, -0.0008463600000000, 0.0042462000000000 ] - [ 0.0002498200000000, 0.0000342400000000, 0.0002942800000000 ] - [ -0.0003793200000000, -0.0001538400000000, -0.0019178000000000 ] - [ 0.0001657400000000, 0.0001144200000000, -0.0002496500000000 ] - [ 0.0044965500000000, -0.0009753600000000, 0.0043389400000000 ] - [ -0.0012283700000000, -0.0003373100000000, 0.0004926200000000 ] - [ -0.0009799800000000, -0.0002975700000000, -0.0001092700000000 ] - [ 0.0005683600000000, 0.0003028200000000, -0.0000928200000000 ]- atom: 77 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ -0.0010048400000000, -0.0010157400000000, 0.0028006400000000 ] - [ -0.0001373300000000, 0.0001260800000000, 0.0000484200000000 ] - [ -0.0009853000000000, -0.0012247100000000, 0.0010998600000000 ] - [ 0.0001068700000000, 0.0001414300000000, 0.0001122900000000 ] - [ -0.0001492600000000, 0.0000968800000000, -0.0004147600000000 ] - [ -0.0000351800000000, 0.0001171900000000, -0.0002217500000000 ] - [ 0.0002788100000000, 0.0001084600000000, 0.0002731800000000 ] - [ 0.0001721600000000, 0.0002682100000000, 0.0001703200000000 ] - [ -0.0012508100000000, 0.0004397500000000, -0.0006512200000000 ] - [ 0.0006331300000000, -0.0002908200000000, -0.0006514300000000 ] - [ -0.0003032600000000, 0.0000455200000000, 0.0002431900000000 ] - [ 0.0008308900000000, -0.0010792900000000, 0.0013342000000000 ] - [ 0.0001862600000000, -0.0002048800000000, -0.0007401700000000 ] - [ 0.0002033600000000, -0.0001685000000000, -0.0002219700000000 ] - [ 0.0004845700000000, -0.0007032300000000, -0.0009155700000000 ] - [ -0.0001074800000000, 0.0000231800000000, -0.0000663700000000 ] - [ -0.0011793900000000, 0.0005633700000000, 0.0017311600000000 ] - [ 0.0001161100000000, -0.0000793100000000, 0.0001856100000000 ] - [ -0.0159234700000000, -0.0149240200000000, -0.0207054200000000 ] - [ -0.0001136200000000, 0.0001643900000000, -0.0002202500000000 ] - [ -0.0006919100000000, -0.0002865900000000, 0.0000893500000000 ] - [ 0.0014820000000000, 0.0013505400000000, -0.0001296900000000 ] - [ -0.0002886200000000, 0.0001807500000000, -0.0008542700000000 ] - [ 0.0003321300000000, 0.0011051300000000, -0.0012539000000000 ] - [ 0.0018079400000000, 0.0004187900000000, -0.0002750700000000 ] - [ -0.0048754700000000, 0.0000154800000000, 0.0013042300000000 ] - [ -0.0002531400000000, 0.0011699300000000, 0.0020967400000000 ] - [ 0.0001019500000000, -0.0000815700000000, 0.0002634200000000 ] - [ 0.0048396100000000, 0.0053825300000000, 0.0014649800000000 ] - [ -0.0002508300000000, -0.0002450400000000, 0.0000405900000000 ] - [ 0.0035342600000000, -0.0001109500000000, -0.0151740800000000 ] - [ -0.0001442100000000, 0.0001608900000000, -0.0004185500000000 ] - [ -0.0001817500000000, -0.0005599300000000, 0.0064599000000000 ] - [ -0.0000237800000000, 0.0001055700000000, 0.0002755900000000 ] - [ -0.0010907700000000, -0.0011698400000000, -0.0004325700000000 ] - [ -0.0000499600000000, -0.0000587000000000, -0.0001052800000000 ] - [ -0.0007884800000000, 0.0028811600000000, -0.0189284800000000 ] - [ 0.0001460900000000, -0.0000479400000000, -0.0002923200000000 ] - [ -0.0036082200000000, -0.0021072200000000, -0.0001330600000000 ] - [ 0.0003145100000000, 0.0004140700000000, 0.0001699900000000 ] - [ -0.0006202400000000, 0.0009707100000000, 0.0066328300000000 ] - [ -0.0002369400000000, 0.0001172700000000, 0.0010503100000000 ] - [ 0.0035744100000000, -0.0018671300000000, -0.0001130900000000 ] - [ -0.0004570600000000, -0.0006334800000000, -0.0001280700000000 ] - [ -0.0007874500000000, 0.0000355400000000, 0.0003735800000000 ] - [ 0.0004452900000000, 0.0008241500000000, 0.0002105000000000 ] - [ 0.0007641100000000, 0.0002252500000000, 0.0002172700000000 ] - [ -0.0003236600000000, -0.0002116600000000, 0.0003317900000000 ] - [ -0.0000758900000000, -0.0003041700000000, -0.0011187600000000 ] - [ -0.0000542500000000, -0.0001761000000000, -0.0015606700000000 ] - [ -0.0002566700000000, -0.0003236900000000, 0.0005003700000000 ] - [ 0.0000480600000000, -0.0009919600000000, 0.0007247600000000 ] - [ 0.0001425000000000, 0.0001975100000000, 0.0002805700000000 ] - [ -0.0001631500000000, -0.0004093400000000, 0.0005228300000000 ] - [ 0.0003506100000000, 0.0000668000000000, -0.0000175800000000 ] - [ -0.0017713700000000, -0.0012752000000000, 0.0004093200000000 ] - [ 0.0001186600000000, -0.0000522200000000, 0.0004629500000000 ] - [ 0.0010673100000000, -0.0004385200000000, -0.0009659400000000 ] - [ 0.0001314700000000, 0.0000288300000000, -0.0003608500000000 ] - [ -0.0001078600000000, -0.0001609100000000, -0.0005595800000000 ] - [ 0.0118002300000000, 0.0004798600000000, -0.0044556000000000 ] - [ -0.0005420100000000, 0.0000331600000000, 0.0003973000000000 ] - [ -0.0012432300000000, -0.0013560200000000, -0.0004408100000000 ] - [ 0.0001593300000000, 0.0001191600000000, -0.0001128200000000 ] - [ -0.0011218800000000, 0.0000841200000000, 0.0023685800000000 ] - [ 0.0000542200000000, -0.0001522900000000, 0.0001330100000000 ] - [ -0.0104862800000000, -0.0034443400000000, -0.0062982000000000 ] - [ -0.0000044200000000, 0.0002046900000000, 0.0000729900000000 ] - [ 0.0000986800000000, -0.0008576800000000, -0.0023311400000000 ] - [ 0.0000775100000000, 0.0000308600000000, -0.0001654100000000 ] - [ 0.0011640800000000, -0.0001758500000000, -0.0008719600000000 ] - [ 0.0000795500000000, -0.0000724000000000, -0.0000843500000000 ] - [ -0.0019254500000000, -0.0013319100000000, 0.0061315500000000 ] - [ -0.0000605000000000, 0.0000645400000000, 0.0001601800000000 ] - [ 0.0003352100000000, -0.0001916800000000, -0.0008264200000000 ] - [ -0.0000239600000000, -0.0001292000000000, -0.0001015500000000 ] - [ 0.0188806500000000, 0.0222570500000000, 0.0708857100000000 ] - [ 0.0000320200000000, 0.0000362200000000, 0.0001909600000000 ] - [ 0.0003806500000000, -0.0003194300000000, -0.0021256700000000 ] - [ 0.0000442700000000, -0.0001014300000000, -0.0001760800000000 ] - [ -0.0020778300000000, -0.0111782800000000, -0.0051319200000000 ] - [ -0.0000413300000000, -0.0000004400000000, 0.0001287100000000 ] - [ -0.0001638000000000, -0.0020313800000000, 0.0008759300000000 ] - [ -0.0000925000000000, 0.0000236600000000, 0.0000986200000000 ] - [ 0.0000155000000000, -0.0038472400000000, -0.0048437200000000 ] - [ 0.0000738500000000, -0.0000171500000000, -0.0000369700000000 ] - [ 0.0000679900000000, 0.0001733000000000, -0.0029081400000000 ] - [ 0.0000575000000000, -0.0002691400000000, -0.0000622800000000 ] - [ -0.0021470500000000, 0.0096958800000000, -0.0040713000000000 ] - [ 0.0000011300000000, 0.0000803300000000, 0.0001295500000000 ] - [ 0.0019760600000000, 0.0033040800000000, -0.0038438900000000 ] - [ -0.0000887300000000, 0.0000173300000000, -0.0000076900000000 ] - [ 0.0006336300000000, 0.0000547300000000, 0.0033804500000000 ] - [ -0.0001030500000000, 0.0001499400000000, 0.0001787500000000 ] - [ 0.0001208100000000, -0.0000749300000000, -0.0013176100000000 ] - [ 0.0001038000000000, -0.0001674500000000, -0.0002302100000000 ] - [ -0.0007290400000000, 0.0006039900000000, 0.0000995700000000 ] - [ 0.0001258800000000, 0.0000326700000000, -0.0000647100000000 ] - [ 0.0001112700000000, -0.0000754000000000, -0.0014487400000000 ] - [ -0.0000402200000000, 0.0001455300000000, -0.0002692400000000 ] - [ 0.0031631600000000, 0.0008182800000000, -0.0043130200000000 ] - [ -0.0000598800000000, -0.0000693600000000, -0.0003353400000000 ] - [ 0.0005082600000000, 0.0000711800000000, 0.0018512200000000 ] - [ -0.0000157100000000, -0.0002000100000000, 0.0001811500000000 ] - [ -0.0044832800000000, 0.0007879100000000, -0.0041431400000000 ] - [ 0.0011830900000000, 0.0001620000000000, -0.0003209000000000 ] - [ 0.0009184900000000, 0.0003507300000000, -0.0000780800000000 ] - [ -0.0006380900000000, -0.0002608600000000, -0.0000973000000000 ]- atom: 79 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ 0.0021576200000000, 0.0007371400000000, -0.0006609700000000 ] - [ -0.0009761800000000, 0.0001564800000000, -0.0001112800000000 ] - [ 0.0015745100000000, 0.0006586600000000, -0.0001969000000000 ] - [ -0.0006049700000000, -0.0001632000000000, 0.0003800400000000 ] - [ 0.0002518700000000, 0.0001360900000000, 0.0002214300000000 ] - [ -0.0008137200000000, 0.0004259400000000, 0.0003404500000000 ] - [ -0.0022099200000000, 0.0011081500000000, 0.0007179700000000 ] - [ -0.0013056500000000, -0.0006264800000000, -0.0011191800000000 ] - [ -0.0003782200000000, 0.0000638500000000, -0.0003775500000000 ] - [ -0.0010329900000000, 0.0004289000000000, 0.0006744300000000 ] - [ -0.0016976800000000, -0.0001765600000000, 0.0000713300000000 ] - [ -0.0004430000000000, -0.0012270400000000, 0.0009391800000000 ] - [ -0.0002518000000000, 0.0020200300000000, -0.0012988500000000 ] - [ -0.0015405100000000, 0.0000159800000000, 0.0000300700000000 ] - [ 0.0045449200000000, -0.0009794100000000, 0.0009176800000000 ] - [ -0.0018481700000000, 0.0001499500000000, 0.0002040500000000 ] - [ 0.0249872600000000, 0.0188818400000000, 0.0185608700000000 ] - [ -0.0021580400000000, 0.0006018500000000, -0.0001007300000000 ] - [ 0.0012055700000000, 0.0006839200000000, 0.0006025100000000 ] - [ -0.0013626800000000, -0.0002895400000000, -0.0000913600000000 ] - [ -0.0060270800000000, -0.0012478100000000, 0.0005582100000000 ] - [ -0.0042751400000000, 0.0001652400000000, 0.0104183000000000 ] - [ -0.0022845300000000, 0.0007579600000000, -0.0000730500000000 ] - [ 0.0002255200000000, -0.0027290800000000, 0.0007452500000000 ] - [ -0.0028365800000000, -0.0006506300000000, 0.0012878200000000 ] - [ -0.0001681700000000, -0.0007728000000000, -0.0007264400000000 ] - [ 0.0076381900000000, -0.0034923100000000, 0.0101817700000000 ] - [ -0.0037554200000000, 0.0007271600000000, 0.0014832300000000 ] - [ 0.0057591300000000, 0.0050180600000000, 0.0085763100000000 ] - [ -0.0030806100000000, -0.0005374300000000, -0.0001145900000000 ] - [ 0.0040341100000000, -0.0005548900000000, 0.0007226400000000 ] - [ -0.0032823900000000, 0.0010305300000000, 0.0009339200000000 ] - [ 0.0246469000000000, 0.0081077000000000, -0.0022871400000000 ] - [ -0.0035767800000000, 0.0011638800000000, -0.0006284900000000 ] - [ 0.0265406800000000, -0.0026659300000000, 0.0068131900000000 ] - [ -0.0033381900000000, -0.0000500800000000, 0.0000605700000000 ] - [ 0.0073676800000000, -0.0024842700000000, 0.0029437200000000 ] - [ -0.0032313100000000, 0.0009589200000000, -0.0011933100000000 ] - [ -0.0000956300000000, 0.0028541600000000, -0.0046959800000000 ] - [ -0.0039501100000000, -0.0023052800000000, -0.0003735600000000 ] - [ 0.0011422400000000, -0.0003936000000000, 0.0003611000000000 ] - [ -0.0026393200000000, -0.0000571200000000, -0.0001506200000000 ] - [ -0.0005119100000000, -0.0062034300000000, 0.0040106800000000 ] - [ -0.0028301000000000, -0.0005159900000000, -0.0010909800000000 ] - [ 0.0018423200000000, 0.0005362600000000, -0.0003375900000000 ] - [ 0.0016452300000000, -0.0005313100000000, 0.0001585900000000 ] - [ 0.0012524800000000, -0.0002595500000000, 0.0001067600000000 ] - [ 0.0015506100000000, 0.0018161500000000, -0.0012712800000000 ] - [ 0.0015546700000000, -0.0001705200000000, -0.0006385300000000 ] - [ 0.0013962000000000, 0.0002845100000000, 0.0004547500000000 ] - [ 0.0005706800000000, -0.0001422200000000, -0.0002730400000000 ] - [ 0.0002235200000000, 0.0010616200000000, 0.0001450800000000 ] - [ 0.0011934200000000, -0.0000299400000000, 0.0001796500000000 ] - [ 0.0009173700000000, 0.0016684600000000, -0.0017070100000000 ] - [ 0.0019541000000000, 0.0008584100000000, -0.0000155800000000 ] - [ 0.0001019700000000, -0.0021508200000000, -0.0011513200000000 ] - [ 0.0013639700000000, -0.0001531700000000, -0.0002333400000000 ] - [ -0.0006541600000000, 0.0005600300000000, -0.0000805200000000 ] - [ 0.0030909700000000, 0.0000858900000000, -0.0009251700000000 ] - [ 0.0201814300000000, 0.0031085700000000, -0.0103903000000000 ] - [ -0.0011900500000000, 0.0000277700000000, 0.0006087000000000 ] - [ 0.0019267200000000, -0.0000681700000000, -0.0006066000000000 ] - [ 0.0019679900000000, -0.0011555100000000, -0.0069619300000000 ] - [ 0.0020377700000000, 0.0001232400000000, -0.0002476100000000 ] - [ -0.0018884600000000, 0.0008110500000000, -0.0000810400000000 ] - [ 0.0016513700000000, -0.0003879800000000, -0.0001169800000000 ] - [ -0.0014354900000000, -0.0013926400000000, -0.0015494200000000 ] - [ 0.0008635200000000, 0.0001101800000000, -0.0001238600000000 ] - [ 0.0041522500000000, -0.0118460400000000, -0.0063390900000000 ] - [ 0.0007665600000000, -0.0000120100000000, -0.0002975600000000 ] - [ 0.0069049200000000, -0.0029778900000000, 0.0230721400000000 ] - [ 0.0021606000000000, -0.0003041300000000, -0.0006042800000000 ] - [ -0.0036101100000000, -0.0005424700000000, -0.0013896400000000 ] - [ 0.0016871400000000, -0.0003057800000000, 0.0001422900000000 ] - [ 0.0043052600000000, 0.0224756700000000, -0.0027358900000000 ] - [ 0.0023268800000000, -0.0007899900000000, -0.0002723700000000 ] - [ -0.0035212300000000, 0.0006171800000000, -0.0002894400000000 ] - [ 0.0021179800000000, -0.0003419300000000, 0.0000878200000000 ] - [ -0.1238852400000000, -0.0293464500000000, -0.0303360300000000 ] - [ 0.0017970300000000, -0.0004016000000000, -0.0000726800000000 ] - [ -0.0061421400000000, 0.0012724900000000, -0.0004998000000000 ] - [ 0.0018583100000000, -0.0002176500000000, 0.0003636700000000 ] - [ -0.0004476600000000, 0.0013588000000000, -0.0038731000000000 ] - [ 0.0008990100000000, -0.0002156600000000, 0.0001301500000000 ] - [ -0.0064403100000000, -0.0034343300000000, -0.0032448200000000 ] - [ 0.0007484900000000, -0.0001879200000000, 0.0001582100000000 ] - [ -0.0014945100000000, 0.0001983700000000, 0.0005310700000000 ] - [ 0.0016776600000000, -0.0005191300000000, 0.0002254500000000 ] - [ -0.0039864900000000, 0.0015048400000000, -0.0024509900000000 ] - [ 0.0013273000000000, -0.0000144200000000, 0.0004533600000000 ] - [ -0.0039457400000000, -0.0018613800000000, 0.0015750300000000 ] - [ 0.0024144900000000, 0.0001515200000000, 0.0003391300000000 ] - [ -0.0028482600000000, 0.0010608400000000, -0.0019803900000000 ] - [ 0.0019971100000000, -0.0000643500000000, 0.0001207800000000 ] - [ 0.0026536700000000, -0.0087600800000000, 0.0022050800000000 ] - [ 0.0019685900000000, 0.0004480800000000, 0.0004353900000000 ] - [ 0.0046045600000000, 0.0045678700000000, -0.0112596300000000 ] - [ 0.0020942600000000, 0.0000687200000000, 0.0002721500000000 ] - [ 0.0024305100000000, 0.0051950600000000, -0.0016674300000000 ] - [ 0.0007635600000000, -0.0001590200000000, 0.0003747800000000 ] - [ -0.0000453000000000, -0.0009159700000000, 0.0011325300000000 ] - [ 0.0008699500000000, 0.0004123200000000, 0.0001203400000000 ] - [ 0.0004898100000000, -0.0005304500000000, 0.0011264400000000 ] - [ 0.0011976600000000, 0.0004358100000000, -0.0004415000000000 ] - [ 0.0000605500000000, 0.0008595100000000, -0.0010424300000000 ] - [ 0.0007922000000000, 0.0000175400000000, 0.0003394600000000 ] - [ 0.0059473000000000, -0.0012664600000000, 0.0044518700000000 ] - [ 0.0036658200000000, 0.0010307300000000, -0.0012682600000000 ]- atom: 79 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ -0.0024681800000000, -0.0004176800000000, 0.0006543000000000 ] - [ 0.0007077900000000, 0.0001614000000000, 0.0001048700000000 ] - [ -0.0013926000000000, -0.0004035700000000, 0.0004307700000000 ] - [ 0.0008055500000000, 0.0004245700000000, -0.0001568400000000 ] - [ -0.0004310800000000, 0.0001236300000000, -0.0004495800000000 ] - [ 0.0006244200000000, -0.0001693900000000, -0.0005715100000000 ] - [ 0.0024835800000000, -0.0007792800000000, -0.0006999400000000 ] - [ 0.0015968300000000, 0.0009577800000000, 0.0011453200000000 ] - [ 0.0005708800000000, -0.0000433900000000, 0.0003741800000000 ] - [ 0.0012203100000000, -0.0004134200000000, -0.0006848200000000 ] - [ 0.0015306800000000, 0.0001271400000000, 0.0000276000000000 ] - [ 0.0002466300000000, 0.0011807800000000, -0.0008422600000000 ] - [ 0.0004246500000000, -0.0020911500000000, 0.0012103900000000 ] - [ 0.0017357400000000, -0.0000698500000000, -0.0001300100000000 ] - [ -0.0047926300000000, 0.0009937300000000, -0.0009147800000000 ] - [ 0.0016809900000000, -0.0001264000000000, -0.0002054000000000 ] - [ -0.0245868000000000, -0.0179991100000000, -0.0176061000000000 ] - [ 0.0021505600000000, -0.0005752600000000, 0.0001996100000000 ] - [ -0.0011617300000000, -0.0006662100000000, -0.0007137300000000 ] - [ 0.0013998300000000, 0.0003261200000000, -0.0000048900000000 ] - [ 0.0063191300000000, 0.0013387700000000, -0.0005956800000000 ] - [ 0.0045627400000000, -0.0001001500000000, -0.0106076200000000 ] - [ 0.0023434400000000, -0.0009461200000000, -0.0000312500000000 ] - [ -0.0002147000000000, 0.0025729100000000, -0.0008635700000000 ] - [ 0.0023570700000000, 0.0005102500000000, -0.0013851600000000 ] - [ -0.0003610800000000, 0.0006343100000000, 0.0006558300000000 ] - [ -0.0096456100000000, 0.0036253100000000, -0.0101744800000000 ] - [ 0.0042913600000000, -0.0008774600000000, -0.0014095500000000 ] - [ -0.0058904600000000, -0.0052527700000000, -0.0085609000000000 ] - [ 0.0030728400000000, 0.0003439300000000, 0.0002205900000000 ] - [ -0.0043670600000000, 0.0006492700000000, -0.0007020100000000 ] - [ 0.0030420400000000, -0.0009588300000000, -0.0009194400000000 ] - [ -0.0246384300000000, -0.0083142300000000, 0.0025996100000000 ] - [ 0.0036456600000000, -0.0012624500000000, 0.0008478700000000 ] - [ -0.0266731600000000, 0.0027650800000000, -0.0070942700000000 ] - [ 0.0034655700000000, 0.0000414000000000, -0.0003194800000000 ] - [ -0.0071315800000000, 0.0026222500000000, -0.0031441200000000 ] - [ 0.0035376600000000, -0.0009121600000000, 0.0010324900000000 ] - [ -0.0001052600000000, -0.0027858300000000, 0.0048618900000000 ] - [ 0.0037044500000000, 0.0023889800000000, 0.0005408800000000 ] - [ -0.0011584000000000, 0.0003905800000000, -0.0001027900000000 ] - [ 0.0025542300000000, 0.0000515000000000, 0.0004168400000000 ] - [ 0.0005317200000000, 0.0060898900000000, -0.0042395000000000 ] - [ 0.0028119900000000, 0.0004198900000000, 0.0008894800000000 ] - [ -0.0016972500000000, -0.0006942400000000, 0.0004288400000000 ] - [ -0.0014897900000000, 0.0003818100000000, -0.0000743300000000 ] - [ -0.0011534400000000, 0.0002976500000000, -0.0001886600000000 ] - [ -0.0014389200000000, -0.0017953400000000, 0.0012064600000000 ] - [ -0.0017126400000000, -0.0000531100000000, 0.0006113000000000 ] - [ -0.0015376400000000, -0.0005085300000000, -0.0004960400000000 ] - [ -0.0006970400000000, 0.0001185100000000, 0.0004349800000000 ] - [ -0.0003427200000000, -0.0010960800000000, 0.0000174700000000 ] - [ -0.0010950700000000, 0.0003463000000000, -0.0001582400000000 ] - [ -0.0008169500000000, -0.0013653400000000, 0.0017482100000000 ] - [ -0.0018469800000000, -0.0008716700000000, -0.0000884100000000 ] - [ 0.0000347100000000, 0.0021700500000000, 0.0010614900000000 ] - [ -0.0012501100000000, 0.0002845800000000, 0.0003804700000000 ] - [ 0.0007991600000000, -0.0004364700000000, 0.0002262800000000 ] - [ -0.0031229300000000, -0.0000686800000000, 0.0007851300000000 ] - [ -0.0206363100000000, -0.0031637400000000, 0.0104181200000000 ] - [ 0.0012352500000000, -0.0000098700000000, -0.0004699200000000 ] - [ -0.0019281600000000, 0.0000880200000000, 0.0007606900000000 ] - [ -0.0020829300000000, 0.0012959600000000, 0.0069220600000000 ] - [ -0.0021770100000000, 0.0000050800000000, 0.0001068500000000 ] - [ 0.0017986400000000, -0.0008363000000000, 0.0001888900000000 ] - [ -0.0017922200000000, 0.0003744700000000, 0.0002249600000000 ] - [ 0.0013536600000000, 0.0017350900000000, 0.0015503300000000 ] - [ -0.0009760400000000, 0.0002186500000000, 0.0001092100000000 ] - [ -0.0040539000000000, 0.0120397600000000, 0.0062604100000000 ] - [ -0.0006498400000000, -0.0000066500000000, 0.0001334600000000 ] - [ -0.0068289500000000, 0.0028183900000000, -0.0235057700000000 ] - [ -0.0020371600000000, 0.0000847200000000, 0.0006370700000000 ] - [ 0.0035422300000000, 0.0005911800000000, 0.0014894900000000 ] - [ -0.0018173000000000, 0.0003557000000000, -0.0000575800000000 ] - [ -0.0045158800000000, -0.0230038800000000, 0.0027129200000000 ] - [ -0.0025135700000000, 0.0006336800000000, 0.0001882700000000 ] - [ 0.0036282300000000, -0.0005867000000000, 0.0004865400000000 ] - [ -0.0020708300000000, 0.0003876700000000, 0.0001057400000000 ] - [ 0.1267675400000000, 0.0280298700000000, 0.0292857300000000 ] - [ -0.0017710000000000, 0.0002285700000000, -0.0001109300000000 ] - [ 0.0060647600000000, -0.0013902300000000, 0.0005748400000000 ] - [ -0.0020070000000000, 0.0001413400000000, -0.0002832500000000 ] - [ 0.0003166200000000, -0.0014458600000000, 0.0041174200000000 ] - [ -0.0010935400000000, 0.0001861500000000, -0.0000810700000000 ] - [ 0.0064774900000000, 0.0035918900000000, 0.0033962600000000 ] - [ -0.0006747100000000, 0.0002148000000000, -0.0001376600000000 ] - [ 0.0013424400000000, -0.0003275800000000, -0.0004190300000000 ] - [ -0.0017926100000000, 0.0002349100000000, -0.0001009400000000 ] - [ 0.0037478400000000, -0.0015918300000000, 0.0025807500000000 ] - [ -0.0015580200000000, -0.0000098300000000, -0.0003926400000000 ] - [ 0.0040115200000000, 0.0020610300000000, -0.0014939800000000 ] - [ -0.0023263400000000, -0.0000074800000000, -0.0002005600000000 ] - [ 0.0027261200000000, -0.0009166600000000, 0.0018444500000000 ] - [ -0.0021238900000000, 0.0002124600000000, -0.0002590100000000 ] - [ -0.0023965300000000, 0.0086457600000000, -0.0022544500000000 ] - [ -0.0017625600000000, -0.0004803700000000, -0.0005049700000000 ] - [ -0.0044198800000000, -0.0048063400000000, 0.0110009800000000 ] - [ -0.0020113300000000, -0.0003479900000000, -0.0004035000000000 ] - [ -0.0025248800000000, -0.0051516900000000, 0.0016505900000000 ] - [ -0.0008482400000000, 0.0001845000000000, -0.0004071800000000 ] - [ 0.0002187100000000, 0.0008837400000000, -0.0011824100000000 ] - [ -0.0006880600000000, -0.0004516000000000, -0.0001689500000000 ] - [ -0.0003754900000000, 0.0004514300000000, -0.0012065100000000 ] - [ -0.0010658200000000, -0.0005193300000000, 0.0003701800000000 ] - [ -0.0001170800000000, -0.0010342600000000, 0.0012253900000000 ] - [ -0.0008327200000000, -0.0001952100000000, -0.0001634000000000 ] - [ -0.0060218500000000, 0.0013024600000000, -0.0046080100000000 ] - [ -0.0037714000000000, -0.0009981100000000, 0.0010922800000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006315500000000, -0.0036735300000000, -0.0002874200000000 ] - [ 0.0000319600000000, 0.0001023300000000, 0.0000130900000000 ] - [ -0.0008333300000000, -0.0017371700000000, 0.0017638900000000 ] - [ 0.0002459300000000, 0.0001691700000000, 0.0000633400000000 ] - [ -0.0004394800000000, 0.0009008500000000, 0.0002921900000000 ] - [ 0.0000850900000000, 0.0001058700000000, -0.0002347200000000 ] - [ 0.0005164500000000, 0.0013180200000000, -0.0005731400000000 ] - [ 0.0002361200000000, 0.0004575700000000, 0.0000837800000000 ] - [ -0.0002398800000000, -0.0011425300000000, 0.0006711300000000 ] - [ 0.0006108100000000, -0.0003874000000000, -0.0002507900000000 ] - [ 0.0007354000000000, -0.0000167100000000, 0.0000956700000000 ] - [ -0.0023867100000000, -0.0019679700000000, 0.0021360300000000 ] - [ 0.0008444000000000, -0.0003831100000000, 0.0000911600000000 ] - [ -0.0000593500000000, 0.0001416200000000, 0.0001492700000000 ] - [ -0.0015506600000000, 0.0028934300000000, 0.0012194000000000 ] - [ 0.0002938200000000, 0.0000933700000000, -0.0000502700000000 ] - [ 0.0185221200000000, 0.0248970300000000, 0.0207404900000000 ] - [ 0.0004798000000000, -0.0001055200000000, 0.0001374400000000 ] - [ 0.0009662400000000, -0.0019790600000000, -0.0015366600000000 ] - [ 0.0002753900000000, 0.0000623700000000, -0.0000459800000000 ] - [ -0.0000643500000000, 0.0012924000000000, -0.0001865700000000 ] - [ 0.0017526000000000, 0.0025103600000000, -0.0011301100000000 ] - [ 0.0014684600000000, 0.0002498200000000, 0.0004815000000000 ] - [ -0.0001248000000000, 0.0007744000000000, -0.0002422700000000 ] - [ 0.0006685200000000, -0.0016253700000000, -0.0014187600000000 ] - [ -0.0005138100000000, -0.0007754500000000, -0.0006246800000000 ] - [ 0.0058926900000000, 0.0229244500000000, -0.0036761400000000 ] - [ 0.0007878700000000, -0.0000385900000000, -0.0002644700000000 ] - [ 0.0033607000000000, -0.0031796200000000, -0.0066682800000000 ] - [ 0.0004210500000000, -0.0002575700000000, 0.0000780600000000 ] - [ -0.0002481600000000, -0.0020578700000000, -0.0010347900000000 ] - [ 0.0006348600000000, -0.0004749100000000, -0.0001757600000000 ] - [ 0.0099439900000000, 0.0069242300000000, 0.0037117700000000 ] - [ 0.0007001900000000, -0.0001660700000000, 0.0002161200000000 ] - [ -0.0023443900000000, 0.0225459500000000, 0.0098678000000000 ] - [ 0.0006469200000000, 0.0000928900000000, -0.0001690300000000 ] - [ -0.0005165500000000, -0.0021717300000000, 0.0004564000000000 ] - [ 0.0008756200000000, -0.0002432700000000, 0.0001200200000000 ] - [ 0.0066366800000000, 0.0031106200000000, 0.0051174200000000 ] - [ 0.0002464200000000, 0.0006987400000000, 0.0002550200000000 ] - [ 0.0099855100000000, -0.0099655400000000, -0.0022419800000000 ] - [ 0.0000645900000000, -0.0002469300000000, 0.0002710700000000 ] - [ -0.0058231300000000, -0.0039949700000000, 0.0001818600000000 ] - [ 0.0006892300000000, -0.0000066900000000, -0.0000086800000000 ] - [ 0.0017164500000000, 0.0013085300000000, 0.0000527600000000 ] - [ -0.0004542800000000, 0.0002686500000000, 0.0000809400000000 ] - [ -0.0015064400000000, -0.0009025900000000, -0.0005991000000000 ] - [ 0.0003959900000000, -0.0008225100000000, -0.0004766400000000 ] - [ -0.0021189800000000, 0.0005152700000000, 0.0012156500000000 ] - [ 0.0004442200000000, 0.0006694400000000, 0.0001906200000000 ] - [ -0.0003621000000000, 0.0001250800000000, 0.0000266800000000 ] - [ 0.0000608600000000, -0.0001739500000000, 0.0005111700000000 ] - [ 0.0000811800000000, -0.0005851800000000, -0.0001791700000000 ] - [ -0.0003570700000000, -0.0007069600000000, 0.0004565200000000 ] - [ 0.0000104600000000, -0.0001365400000000, -0.0001356000000000 ] - [ -0.0017493700000000, -0.0008075700000000, 0.0005569500000000 ] - [ -0.0002860600000000, 0.0004527600000000, 0.0000518400000000 ] - [ 0.0000438900000000, 0.0002587400000000, 0.0003505000000000 ] - [ -0.0003140400000000, -0.0003249700000000, 0.0001569300000000 ] - [ -0.0031337500000000, -0.0000629200000000, 0.0015342600000000 ] - [ 0.0003333800000000, 0.0007415100000000, 0.0009089300000000 ] - [ -0.0005092900000000, 0.0002290500000000, 0.0002933500000000 ] - [ -0.0013707000000000, -0.0021637100000000, 0.0009936400000000 ] - [ -0.0002928900000000, -0.0000537600000000, 0.0000100600000000 ] - [ 0.0006704000000000, 0.0003362400000000, -0.0000901600000000 ] - [ -0.0006568300000000, 0.0001886300000000, 0.0000563700000000 ] - [ 0.0003199300000000, 0.0035512500000000, -0.0003416100000000 ] - [ -0.0003176400000000, 0.0003816100000000, 0.0000017600000000 ] - [ -0.0120449600000000, 0.0071952000000000, 0.0053808500000000 ] - [ -0.0000446700000000, 0.0000389800000000, -0.0000181100000000 ] - [ -0.0035878800000000, -0.0054563500000000, -0.0029438000000000 ] - [ -0.0002125300000000, -0.0001409300000000, 0.0001430900000000 ] - [ -0.0008503700000000, 0.0010245200000000, 0.0010930700000000 ] - [ -0.0003380700000000, 0.0002242700000000, -0.0000010400000000 ] - [ 0.0236493800000000, 0.0097493300000000, -0.0036970000000000 ] - [ -0.0006203100000000, -0.0001259800000000, 0.0000411400000000 ] - [ 0.0004754600000000, 0.0030498400000000, 0.0003329200000000 ] - [ -0.0004570800000000, 0.0001939500000000, 0.0001071500000000 ] - [ -0.0290392800000000, -0.1327313000000000, -0.0337348700000000 ] - [ -0.0002926400000000, -0.0000940100000000, -0.0000925800000000 ] - [ -0.0008638700000000, 0.0036791300000000, 0.0036015600000000 ] - [ -0.0004335300000000, 0.0000232000000000, -0.0000145700000000 ] - [ 0.0004386400000000, 0.0008918700000000, -0.0016398400000000 ] - [ -0.0002954600000000, 0.0000015900000000, 0.0000059600000000 ] - [ -0.0027944000000000, 0.0066593700000000, 0.0230210700000000 ] - [ -0.0000911400000000, -0.0000253500000000, 0.0000045300000000 ] - [ -0.0093765000000000, 0.0244994100000000, -0.0008189600000000 ] - [ -0.0003074500000000, -0.0000782400000000, 0.0000423400000000 ] - [ 0.0021740100000000, 0.0051733700000000, -0.0082764300000000 ] - [ -0.0004161500000000, -0.0000020600000000, -0.0000327900000000 ] - [ -0.0036599700000000, 0.0040488000000000, -0.0094977000000000 ] - [ -0.0003625700000000, -0.0000020100000000, 0.0000040300000000 ] - [ 0.0018670200000000, 0.0007108900000000, -0.0004595100000000 ] - [ -0.0005923600000000, 0.0001292000000000, -0.0000313400000000 ] - [ -0.0077794400000000, 0.0050228500000000, -0.0025012400000000 ] - [ -0.0001250800000000, -0.0000813800000000, -0.0001733100000000 ] - [ 0.0027661700000000, -0.0012605600000000, -0.0021983700000000 ] - [ -0.0003510800000000, -0.0002198000000000, -0.0001083800000000 ] - [ 0.0038614300000000, 0.0103057700000000, -0.0000595900000000 ] - [ -0.0002172300000000, 0.0002195000000000, -0.0000919500000000 ] - [ -0.0010646300000000, 0.0018932400000000, -0.0012086600000000 ] - [ -0.0000779800000000, -0.0000252500000000, -0.0001546000000000 ] - [ -0.0014533900000000, -0.0004400500000000, -0.0014520300000000 ] - [ -0.0000567800000000, -0.0001418400000000, -0.0000146200000000 ] - [ -0.0009556900000000, 0.0022345700000000, 0.0013794300000000 ] - [ -0.0001247400000000, -0.0000150600000000, 0.0001200400000000 ] - [ 0.0012652600000000, -0.0035427500000000, 0.0007825100000000 ] - [ -0.0011007400000000, -0.0005399300000000, 0.0001415100000000 ]- atom: 79 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003885900000000, 0.0040079300000000, 0.0003021700000000 ] - [ -0.0003118900000000, 0.0002172100000000, -0.0000218200000000 ] - [ 0.0010400000000000, 0.0020051900000000, -0.0015657800000000 ] - [ -0.0000543600000000, 0.0000883100000000, 0.0001635100000000 ] - [ 0.0002558300000000, -0.0006508300000000, -0.0005234200000000 ] - [ -0.0002839600000000, 0.0001542100000000, 0.0000115100000000 ] - [ -0.0002351400000000, -0.0010169200000000, 0.0005885900000000 ] - [ 0.0000319000000000, -0.0001476500000000, -0.0000820400000000 ] - [ 0.0004178100000000, 0.0011797200000000, -0.0006847800000000 ] - [ -0.0004337700000000, 0.0004133900000000, 0.0002513500000000 ] - [ -0.0009321500000000, -0.0000389400000000, -0.0000009700000000 ] - [ 0.0022357500000000, 0.0019221800000000, -0.0020606200000000 ] - [ -0.0006772800000000, 0.0003575400000000, -0.0002010500000000 ] - [ 0.0002408000000000, -0.0001905700000000, -0.0002492300000000 ] - [ 0.0013750800000000, -0.0029280200000000, -0.0012156200000000 ] - [ -0.0004835400000000, -0.0000711700000000, 0.0000528200000000 ] - [ -0.0176002100000000, -0.0242673900000000, -0.0196790200000000 ] - [ -0.0005193300000000, 0.0001436600000000, -0.0000408400000000 ] - [ -0.0009435300000000, 0.0020192100000000, 0.0014550000000000 ] - [ -0.0002540500000000, -0.0000321600000000, -0.0000508500000000 ] - [ 0.0003473800000000, -0.0012224700000000, 0.0001646200000000 ] - [ -0.0015252900000000, -0.0024271000000000, 0.0011854200000000 ] - [ -0.0014554000000000, -0.0004519900000000, -0.0005880800000000 ] - [ 0.0001579800000000, -0.0009927100000000, 0.0001443700000000 ] - [ -0.0012062200000000, 0.0014891200000000, 0.0013657600000000 ] - [ 0.0000180200000000, 0.0006357700000000, 0.0005492800000000 ] - [ -0.0055738200000000, -0.0232834400000000, 0.0039078200000000 ] - [ -0.0002861300000000, -0.0001037700000000, 0.0003531100000000 ] - [ -0.0033687100000000, 0.0030616900000000, 0.0067621700000000 ] - [ -0.0004632000000000, 0.0000693100000000, 0.0000287200000000 ] - [ -0.0000026200000000, 0.0021455300000000, 0.0010623800000000 ] - [ -0.0009226500000000, 0.0005621900000000, 0.0002090400000000 ] - [ -0.0099321100000000, -0.0096729200000000, -0.0034085800000000 ] - [ -0.0006757100000000, 0.0000772100000000, -0.0000056100000000 ] - [ 0.0025179200000000, -0.0225930500000000, -0.0101664300000000 ] - [ -0.0005603600000000, -0.0001015400000000, -0.0000889100000000 ] - [ 0.0008152500000000, 0.0023287300000000, -0.0006095200000000 ] - [ -0.0006111400000000, 0.0003060500000000, -0.0002923200000000 ] - [ -0.0069633500000000, -0.0031294000000000, -0.0050015300000000 ] - [ -0.0005381000000000, -0.0006633700000000, -0.0000872700000000 ] - [ -0.0102707900000000, 0.0100009100000000, 0.0025174300000000 ] - [ -0.0001640800000000, 0.0002409000000000, -0.0000146600000000 ] - [ 0.0057938600000000, 0.0040140400000000, -0.0003478300000000 ] - [ -0.0007399300000000, -0.0000833200000000, -0.0002079600000000 ] - [ -0.0015565400000000, -0.0014854700000000, 0.0000293500000000 ] - [ 0.0006263900000000, -0.0004394400000000, 0.0000042900000000 ] - [ 0.0016435000000000, 0.0009610800000000, 0.0005240600000000 ] - [ -0.0002790000000000, 0.0008864100000000, 0.0003923500000000 ] - [ 0.0020293300000000, -0.0007366000000000, -0.0012684700000000 ] - [ -0.0005924300000000, -0.0008958900000000, -0.0002251400000000 ] - [ 0.0002445400000000, -0.0001400300000000, 0.0001311400000000 ] - [ -0.0001837200000000, 0.0001646100000000, -0.0003531800000000 ] - [ 0.0000210100000000, 0.0009193700000000, 0.0001990100000000 ] - [ 0.0004714100000000, 0.0010470700000000, -0.0004487000000000 ] - [ 0.0001159100000000, 0.0001221400000000, 0.0000316100000000 ] - [ 0.0018608600000000, 0.0007656700000000, -0.0006632300000000 ] - [ 0.0004212900000000, -0.0003246600000000, 0.0000894800000000 ] - [ 0.0000771100000000, -0.0001268500000000, -0.0002083100000000 ] - [ 0.0002979300000000, 0.0003457800000000, -0.0003062300000000 ] - [ 0.0032789000000000, 0.0001336000000000, -0.0017704400000000 ] - [ -0.0003286300000000, -0.0007265800000000, -0.0007716700000000 ] - [ 0.0005443400000000, -0.0002135800000000, -0.0001538700000000 ] - [ 0.0012972500000000, 0.0022720900000000, -0.0011891600000000 ] - [ 0.0001692200000000, 0.0001815800000000, -0.0001550800000000 ] - [ -0.0008037800000000, -0.0003388100000000, 0.0001979100000000 ] - [ 0.0005425000000000, -0.0002030300000000, 0.0000478100000000 ] - [ -0.0004329700000000, -0.0032491600000000, 0.0003382900000000 ] - [ 0.0002185000000000, -0.0000586100000000, -0.0000196100000000 ] - [ 0.0120176100000000, -0.0071486300000000, -0.0055065300000000 ] - [ 0.0001698600000000, -0.0000612700000000, -0.0001491600000000 ] - [ 0.0038567600000000, 0.0051823100000000, 0.0031006600000000 ] - [ 0.0003575600000000, -0.0000801800000000, -0.0001181000000000 ] - [ 0.0007240200000000, -0.0009997100000000, -0.0010033300000000 ] - [ 0.0002272600000000, -0.0001833000000000, 0.0000855200000000 ] - [ -0.0243136600000000, -0.0099810000000000, 0.0036951200000000 ] - [ 0.0004614900000000, -0.0000341800000000, -0.0001278600000000 ] - [ -0.0004231400000000, -0.0030316000000000, -0.0001452600000000 ] - [ 0.0005336200000000, -0.0001540700000000, 0.0000855600000000 ] - [ 0.0283664200000000, 0.1355224400000000, 0.0323327200000000 ] - [ 0.0003402800000000, -0.0000803300000000, -0.0000885100000000 ] - [ 0.0007202100000000, -0.0037868800000000, -0.0034936000000000 ] - [ 0.0003083000000000, -0.0001041800000000, 0.0000954800000000 ] - [ -0.0006204900000000, -0.0009708700000000, 0.0018837500000000 ] - [ 0.0001131100000000, -0.0000366100000000, 0.0000430800000000 ] - [ 0.0029357000000000, -0.0066974600000000, -0.0234288900000000 ] - [ 0.0001742800000000, 0.0000496900000000, 0.0000165000000000 ] - [ 0.0094238300000000, -0.0253083100000000, 0.0009507900000000 ] - [ 0.0002100500000000, -0.0002092200000000, 0.0000846900000000 ] - [ -0.0023879600000000, -0.0051686600000000, 0.0082216000000000 ] - [ 0.0002013800000000, -0.0000237900000000, 0.0001003200000000 ] - [ 0.0037975700000000, -0.0039172100000000, 0.0098001600000000 ] - [ 0.0004786700000000, 0.0001494400000000, 0.0001387400000000 ] - [ -0.0019865600000000, -0.0005855600000000, 0.0003196100000000 ] - [ 0.0004918400000000, 0.0000145300000000, -0.0001065600000000 ] - [ 0.0081271400000000, -0.0050700800000000, 0.0024723900000000 ] - [ 0.0003568900000000, 0.0000640300000000, 0.0001088900000000 ] - [ -0.0027517200000000, 0.0009056700000000, 0.0021255400000000 ] - [ 0.0004627000000000, -0.0000643000000000, -0.0000157100000000 ] - [ -0.0038838800000000, -0.0103328800000000, 0.0000032000000000 ] - [ 0.0001417800000000, -0.0002057100000000, 0.0000682200000000 ] - [ 0.0012692500000000, -0.0019320800000000, 0.0011943000000000 ] - [ 0.0002668200000000, -0.0000066500000000, 0.0001111000000000 ] - [ 0.0016058600000000, 0.0003725900000000, 0.0013928500000000 ] - [ 0.0001958300000000, 0.0000672400000000, -0.0000656000000000 ] - [ 0.0009345100000000, -0.0024360700000000, -0.0012294100000000 ] - [ 0.0000853400000000, -0.0001632900000000, 0.0000586300000000 ] - [ -0.0013783800000000, 0.0036197400000000, -0.0009992200000000 ] - [ 0.0010595400000000, 0.0005944800000000, -0.0003442800000000 ]- atom: 79 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ -0.0008275300000000, 0.0006729100000000, 0.0016754200000000 ] - [ -0.0000536200000000, 0.0001373200000000, 0.0000891300000000 ] - [ 0.0003391800000000, 0.0008319800000000, -0.0002391200000000 ] - [ 0.0001222600000000, 0.0001512100000000, 0.0000809800000000 ] - [ 0.0016358700000000, -0.0006862000000000, -0.0021563500000000 ] - [ -0.0001314600000000, 0.0001132600000000, -0.0002442500000000 ] - [ 0.0007488100000000, -0.0006128800000000, 0.0014869700000000 ] - [ 0.0001518400000000, 0.0001900800000000, 0.0002999400000000 ] - [ 0.0005823100000000, 0.0004758600000000, -0.0013354400000000 ] - [ 0.0001635300000000, -0.0002438900000000, -0.0004307200000000 ] - [ -0.0002954400000000, 0.0001854000000000, 0.0002702700000000 ] - [ 0.0006077100000000, 0.0004685000000000, -0.0004454400000000 ] - [ -0.0023885700000000, 0.0015126300000000, -0.0016419100000000 ] - [ 0.0010126300000000, -0.0003433200000000, -0.0005147700000000 ] - [ -0.0003002500000000, -0.0009108100000000, -0.0083450200000000 ] - [ -0.0000564500000000, 0.0000916900000000, -0.0001829900000000 ] - [ 0.0178013900000000, 0.0181855900000000, 0.0232309800000000 ] - [ 0.0001848500000000, -0.0001428200000000, 0.0002050400000000 ] - [ 0.0024334200000000, -0.0016643400000000, -0.0020346500000000 ] - [ -0.0000005600000000, 0.0000709500000000, -0.0000749500000000 ] - [ -0.0038486200000000, -0.0009926000000000, -0.0003058400000000 ] - [ 0.0042269700000000, 0.0010155800000000, -0.0019359300000000 ] - [ 0.0003110300000000, 0.0001627000000000, -0.0016216600000000 ] - [ -0.0012759100000000, 0.0002962900000000, -0.0010839900000000 ] - [ 0.0009400800000000, 0.0015464400000000, 0.0005519400000000 ] - [ -0.0010998100000000, 0.0001253000000000, 0.0009315600000000 ] - [ 0.0130516700000000, -0.0019140600000000, 0.0241819800000000 ] - [ 0.0000725500000000, -0.0001844300000000, 0.0005558100000000 ] - [ 0.0007674100000000, -0.0044344700000000, -0.0045101800000000 ] - [ -0.0002506300000000, -0.0004408900000000, -0.0000610400000000 ] - [ -0.0023488400000000, 0.0006354900000000, -0.0016051100000000 ] - [ 0.0003014600000000, 0.0001011400000000, -0.0006435700000000 ] - [ -0.0052150200000000, 0.0113410700000000, 0.0232533400000000 ] - [ 0.0000908500000000, 0.0000063300000000, 0.0003221000000000 ] - [ -0.0008526200000000, 0.0061924900000000, 0.0234713300000000 ] - [ 0.0000875800000000, -0.0000834100000000, -0.0000460500000000 ] - [ -0.0021580000000000, 0.0103565800000000, -0.0117581400000000 ] - [ 0.0002960100000000, -0.0001232600000000, -0.0002956100000000 ] - [ -0.0070493400000000, 0.0031496600000000, -0.0033596000000000 ] - [ 0.0002572600000000, 0.0007008500000000, -0.0001091800000000 ] - [ -0.0017989700000000, 0.0019456200000000, 0.0039138000000000 ] - [ 0.0000445000000000, 0.0001018400000000, 0.0005073300000000 ] - [ 0.0057421300000000, 0.0095740700000000, 0.0044671500000000 ] - [ -0.0006004000000000, -0.0002116000000000, 0.0000954700000000 ] - [ -0.0026048600000000, -0.0017435000000000, 0.0001709300000000 ] - [ 0.0009548100000000, -0.0004469000000000, -0.0001594500000000 ] - [ 0.0014628500000000, -0.0003553400000000, 0.0006406100000000 ] - [ -0.0002304800000000, -0.0005994300000000, 0.0005474700000000 ] - [ 0.0005231200000000, -0.0004438500000000, -0.0011926700000000 ] - [ -0.0003210500000000, -0.0002660700000000, -0.0006632800000000 ] - [ -0.0004254200000000, -0.0001685400000000, 0.0006724000000000 ] - [ 0.0001840500000000, 0.0000932300000000, 0.0001330400000000 ] - [ -0.0001678600000000, 0.0003440400000000, 0.0014390600000000 ] - [ 0.0004195400000000, -0.0001281000000000, 0.0019746100000000 ] - [ 0.0003451300000000, 0.0006770900000000, 0.0002699100000000 ] - [ -0.0007051700000000, 0.0007131300000000, 0.0004995400000000 ] - [ -0.0002379000000000, -0.0002697600000000, 0.0004901700000000 ] - [ 0.0006848800000000, 0.0000012500000000, 0.0003037000000000 ] - [ 0.0002969700000000, 0.0000733600000000, -0.0010467200000000 ] - [ -0.0019756000000000, 0.0000169000000000, 0.0014239700000000 ] - [ 0.0010281600000000, -0.0001041000000000, -0.0002858700000000 ] - [ -0.0006070800000000, -0.0001077700000000, 0.0003975700000000 ] - [ -0.0086764400000000, 0.0015577300000000, 0.0046432400000000 ] - [ 0.0005977300000000, 0.0001836600000000, -0.0000341700000000 ] - [ 0.0011200000000000, 0.0001928900000000, 0.0010465800000000 ] - [ -0.0001682400000000, -0.0001826000000000, 0.0002735700000000 ] - [ -0.0000534600000000, 0.0010251800000000, 0.0015627800000000 ] - [ -0.0000190500000000, 0.0002520300000000, 0.0002006100000000 ] - [ -0.0030754500000000, 0.0030676300000000, -0.0005689600000000 ] - [ 0.0000446600000000, 0.0000963500000000, -0.0002205800000000 ] - [ 0.0245027200000000, -0.0033391200000000, 0.0051974800000000 ] - [ -0.0001253600000000, 0.0000046100000000, -0.0002393800000000 ] - [ 0.0015800300000000, -0.0013007100000000, 0.0024499000000000 ] - [ -0.0002346200000000, 0.0000982200000000, 0.0002999700000000 ] - [ -0.0042747200000000, -0.0053979700000000, -0.0050835000000000 ] - [ -0.0000628200000000, -0.0001181300000000, -0.0001363700000000 ] - [ 0.0013885100000000, -0.0015038100000000, 0.0021312600000000 ] - [ -0.0001476000000000, 0.0000739900000000, 0.0001806700000000 ] - [ -0.0295733900000000, -0.0334084600000000, -0.1463049400000000 ] - [ 0.0000293600000000, -0.0000862600000000, -0.0002417600000000 ] - [ -0.0002356900000000, 0.0032762100000000, 0.0103138400000000 ] - [ -0.0000784100000000, 0.0000488900000000, 0.0001975600000000 ] - [ 0.0015872600000000, -0.0061802700000000, 0.0267786900000000 ] - [ -0.0001261400000000, 0.0000354600000000, 0.0001110500000000 ] - [ -0.0026365300000000, 0.0260753700000000, 0.0081533400000000 ] - [ 0.0000345900000000, 0.0000262000000000, -0.0000940100000000 ] - [ 0.0018850600000000, -0.0035880500000000, 0.0008880800000000 ] - [ -0.0001038800000000, -0.0001986100000000, -0.0000107000000000 ] - [ -0.0021120000000000, -0.0095546900000000, 0.0063862000000000 ] - [ -0.0000622100000000, 0.0000316700000000, 0.0000731300000000 ] - [ 0.0043231800000000, -0.0105206900000000, 0.0072341000000000 ] - [ -0.0001281800000000, -0.0000342000000000, 0.0000472300000000 ] - [ -0.0014751000000000, -0.0014827900000000, 0.0019882800000000 ] - [ -0.0000950700000000, 0.0001231000000000, 0.0001069200000000 ] - [ 0.0019585200000000, -0.0025536100000000, -0.0020194900000000 ] - [ 0.0000319000000000, -0.0001189800000000, -0.0001543600000000 ] - [ -0.0123463000000000, -0.0067790800000000, 0.0046512600000000 ] - [ 0.0001269300000000, -0.0000400400000000, -0.0001043200000000 ] - [ 0.0017030000000000, 0.0002411100000000, -0.0050421100000000 ] - [ -0.0000650800000000, 0.0000248000000000, -0.0002919700000000 ] - [ 0.0010373000000000, -0.0018172000000000, -0.0004740800000000 ] - [ 0.0000242400000000, -0.0001100500000000, -0.0000958300000000 ] - [ -0.0005210200000000, 0.0002315000000000, 0.0030679900000000 ] - [ 0.0002890800000000, -0.0001554300000000, 0.0003552100000000 ] - [ -0.0011504600000000, -0.0013904600000000, -0.0017859900000000 ] - [ 0.0002255700000000, -0.0001189000000000, -0.0001115700000000 ] - [ 0.0062975400000000, -0.0008940600000000, 0.0041466000000000 ] - [ -0.0012852900000000, -0.0004278700000000, 0.0003045000000000 ]- atom: 79 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ 0.0005518400000000, -0.0003539500000000, -0.0017171400000000 ] - [ -0.0002235900000000, 0.0001806000000000, -0.0000977900000000 ] - [ -0.0001432500000000, -0.0005781200000000, 0.0004870100000000 ] - [ 0.0000705000000000, 0.0001068100000000, 0.0001458800000000 ] - [ -0.0018596500000000, 0.0009551200000000, 0.0019443000000000 ] - [ -0.0000636000000000, 0.0001461400000000, 0.0000209500000000 ] - [ -0.0004642800000000, 0.0009403100000000, -0.0014986400000000 ] - [ 0.0001174800000000, 0.0001239400000000, -0.0003016200000000 ] - [ -0.0004111800000000, -0.0004615600000000, 0.0013470500000000 ] - [ 0.0000165400000000, 0.0002690300000000, 0.0004350200000000 ] - [ 0.0001149200000000, -0.0002359700000000, -0.0001672800000000 ] - [ -0.0008071300000000, -0.0005356500000000, 0.0005652200000000 ] - [ 0.0025984800000000, -0.0015745300000000, 0.0015468000000000 ] - [ -0.0008421800000000, 0.0002936700000000, 0.0004186500000000 ] - [ 0.0001776300000000, 0.0009930700000000, 0.0083683300000000 ] - [ -0.0001311900000000, -0.0000679800000000, 0.0001857900000000 ] - [ -0.0169109000000000, -0.0171712800000000, -0.0225088000000000 ] - [ -0.0002224700000000, 0.0001794400000000, -0.0001064700000000 ] - [ -0.0024323600000000, 0.0017163100000000, 0.0019402900000000 ] - [ 0.0000254000000000, -0.0000392900000000, -0.0000219700000000 ] - [ 0.0041130000000000, 0.0010735100000000, 0.0002960000000000 ] - [ -0.0039429900000000, -0.0009256400000000, 0.0020267700000000 ] - [ -0.0002961100000000, -0.0003458700000000, 0.0015209700000000 ] - [ 0.0013309500000000, -0.0004913000000000, 0.0009889500000000 ] - [ -0.0014565700000000, -0.0017056500000000, -0.0006584400000000 ] - [ 0.0006004800000000, -0.0002714800000000, -0.0010357000000000 ] - [ -0.0128003900000000, 0.0018032000000000, -0.0240956400000000 ] - [ 0.0004315600000000, 0.0000435700000000, -0.0004707600000000 ] - [ -0.0007614800000000, 0.0042438100000000, 0.0047469400000000 ] - [ 0.0002119600000000, 0.0002472300000000, 0.0001701100000000 ] - [ 0.0021287000000000, -0.0005633600000000, 0.0016393200000000 ] - [ -0.0005818100000000, -0.0000175700000000, 0.0006728300000000 ] - [ 0.0054306900000000, -0.0116903200000000, -0.0231939000000000 ] - [ -0.0000617600000000, -0.0000948200000000, -0.0001111500000000 ] - [ 0.0012595200000000, -0.0060164400000000, -0.0276730600000000 ] - [ 0.0000043800000000, 0.0000766300000000, -0.0002126600000000 ] - [ 0.0024621200000000, -0.0104805100000000, 0.0116552500000000 ] - [ -0.0000252100000000, 0.0001827100000000, 0.0001267000000000 ] - [ 0.0067478800000000, -0.0030770200000000, 0.0036283300000000 ] - [ -0.0005480100000000, -0.0006567100000000, 0.0002855200000000 ] - [ 0.0017961900000000, -0.0019753200000000, -0.0036759400000000 ] - [ -0.0001543000000000, -0.0001095700000000, -0.0002506800000000 ] - [ -0.0058314800000000, -0.0097861200000000, -0.0047890400000000 ] - [ 0.0005639900000000, 0.0001198700000000, -0.0003152000000000 ] - [ 0.0027961400000000, 0.0016068900000000, -0.0000798000000000 ] - [ -0.0008009000000000, 0.0002902400000000, 0.0002513400000000 ] - [ -0.0013417700000000, 0.0003932100000000, -0.0007317000000000 ] - [ 0.0003560600000000, 0.0006497500000000, -0.0006484000000000 ] - [ -0.0006833700000000, 0.0002265700000000, 0.0011815900000000 ] - [ 0.0001952400000000, 0.0000504500000000, 0.0006440300000000 ] - [ 0.0003083400000000, 0.0001442900000000, -0.0005091400000000 ] - [ -0.0003068700000000, -0.0001117500000000, 0.0000360300000000 ] - [ 0.0002805800000000, -0.0000281200000000, -0.0014290000000000 ] - [ -0.0003279600000000, 0.0004513000000000, -0.0019788300000000 ] - [ -0.0002180800000000, -0.0006885000000000, -0.0003795300000000 ] - [ 0.0008237000000000, -0.0007343000000000, -0.0006207600000000 ] - [ 0.0003721600000000, 0.0004009800000000, -0.0003457600000000 ] - [ -0.0005698600000000, 0.0001294800000000, -0.0001595600000000 ] - [ -0.0003135000000000, -0.0000571000000000, 0.0008980300000000 ] - [ 0.0021466100000000, 0.0000231500000000, -0.0016607700000000 ] - [ -0.0010235300000000, 0.0001238700000000, 0.0004483600000000 ] - [ 0.0006301700000000, 0.0001276100000000, -0.0002507600000000 ] - [ 0.0084205300000000, -0.0014126200000000, -0.0047698100000000 ] - [ -0.0007185300000000, -0.0000557100000000, -0.0001106200000000 ] - [ -0.0012715000000000, -0.0002156500000000, -0.0009436500000000 ] - [ 0.0000499300000000, 0.0001642000000000, -0.0001685700000000 ] - [ -0.0000600100000000, -0.0006994200000000, -0.0016067600000000 ] - [ -0.0000843700000000, 0.0000739700000000, -0.0002189700000000 ] - [ 0.0032778100000000, -0.0031825400000000, 0.0003066300000000 ] - [ 0.0000783600000000, -0.0001163200000000, 0.0000535800000000 ] - [ -0.0248003600000000, 0.0031752100000000, -0.0051861700000000 ] - [ 0.0002700500000000, -0.0002267700000000, 0.0002692400000000 ] - [ -0.0017352900000000, 0.0013683700000000, -0.0023951900000000 ] - [ 0.0001224400000000, -0.0000541800000000, -0.0002154700000000 ] - [ 0.0042447500000000, 0.0054010400000000, 0.0049244400000000 ] - [ -0.0001010900000000, -0.0000450300000000, 0.0000503100000000 ] - [ -0.0013550800000000, 0.0015780900000000, -0.0019507400000000 ] - [ 0.0002173100000000, -0.0000325100000000, 0.0000131900000000 ] - [ 0.0284464600000000, 0.0322751900000000, 0.1502120800000000 ] - [ 0.0000161600000000, -0.0000883500000000, 0.0000613800000000 ] - [ 0.0000726900000000, -0.0032959600000000, -0.0102928200000000 ] - [ -0.0000500400000000, -0.0001286600000000, -0.0001160700000000 ] - [ -0.0018091800000000, 0.0062488300000000, -0.0272480300000000 ] - [ -0.0000582300000000, -0.0000690900000000, -0.0000600800000000 ] - [ 0.0027719400000000, -0.0265678500000000, -0.0081584800000000 ] - [ 0.0000462600000000, -0.0000015700000000, 0.0001171900000000 ] - [ -0.0020913200000000, 0.0035079800000000, -0.0007260200000000 ] - [ 0.0000062900000000, -0.0000881700000000, 0.0001378800000000 ] - [ 0.0019147700000000, 0.0096865300000000, -0.0063490900000000 ] - [ -0.0001572000000000, -0.0000556700000000, -0.0000067100000000 ] - [ -0.0041715700000000, 0.0105269100000000, -0.0070411200000000 ] - [ 0.0002415500000000, 0.0001803200000000, 0.0000935600000000 ] - [ 0.0013968100000000, 0.0016526600000000, -0.0021325600000000 ] - [ -0.0000115600000000, 0.0000219200000000, -0.0002442800000000 ] - [ -0.0018086800000000, 0.0025978400000000, 0.0019015000000000 ] - [ 0.0002005500000000, 0.0001007500000000, 0.0000884600000000 ] - [ 0.0126731600000000, 0.0065904400000000, -0.0048008800000000 ] - [ -0.0000211500000000, -0.0002416500000000, -0.0000177800000000 ] - [ -0.0018381300000000, -0.0002390600000000, 0.0050755500000000 ] - [ -0.0000096600000000, -0.0000064200000000, 0.0002703400000000 ] - [ -0.0008491100000000, 0.0017808700000000, 0.0003981500000000 ] - [ 0.0001647800000000, 0.0000772400000000, 0.0000483600000000 ] - [ 0.0006775300000000, -0.0003157400000000, -0.0031712400000000 ] - [ -0.0001554900000000, 0.0000789300000000, -0.0004411700000000 ] - [ 0.0011184300000000, 0.0012303900000000, 0.0020012300000000 ] - [ -0.0002674800000000, -0.0000578600000000, 0.0002950400000000 ] - [ -0.0063380800000000, 0.0009348300000000, -0.0043619000000000 ] - [ 0.0012291100000000, 0.0004773200000000, -0.0005104400000000 ]- atom: 81 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ 0.0031787500000000, 0.0009082400000000, -0.0010978600000000 ] - [ -0.0011472500000000, 0.0001579200000000, -0.0001235000000000 ] - [ 0.0078713600000000, -0.0024164000000000, 0.0005124800000000 ] - [ -0.0008144400000000, -0.0002142600000000, 0.0004321800000000 ] - [ -0.0007123200000000, 0.0017026600000000, -0.0011200500000000 ] - [ -0.0009711200000000, 0.0002940800000000, 0.0004437200000000 ] - [ -0.0002031500000000, 0.0002852400000000, 0.0000144500000000 ] - [ -0.0005536800000000, 0.0000530000000000, -0.0003056100000000 ] - [ -0.0057183400000000, -0.0025575400000000, -0.0012174300000000 ] - [ -0.0030097600000000, 0.0018404900000000, 0.0018595700000000 ] - [ -0.0019728300000000, -0.0003651100000000, 0.0002953300000000 ] - [ -0.0002342200000000, 0.0020973500000000, -0.0023167100000000 ] - [ 0.0004051900000000, -0.0014550900000000, 0.0015331000000000 ] - [ -0.0018807900000000, 0.0003123500000000, -0.0001389800000000 ] - [ 0.0057351400000000, -0.0002492200000000, 0.0013483000000000 ] - [ -0.0021465100000000, 0.0001717100000000, 0.0002233700000000 ] - [ 0.0244860700000000, -0.0136140600000000, -0.0168954000000000 ] - [ -0.0024605200000000, 0.0003233100000000, -0.0003811600000000 ] - [ 0.0015325000000000, -0.0006484800000000, -0.0002048100000000 ] - [ -0.0016593800000000, -0.0002334100000000, -0.0000757400000000 ] - [ -0.0071896600000000, -0.0003549800000000, 0.0015164300000000 ] - [ -0.0055149200000000, -0.0103081100000000, -0.0005287200000000 ] - [ -0.0023286800000000, 0.0003571200000000, -0.0005152200000000 ] - [ -0.0004588500000000, -0.0011241900000000, 0.0013936100000000 ] - [ -0.0034220500000000, -0.0015038700000000, 0.0008664400000000 ] - [ -0.0011940000000000, 0.0000287800000000, 0.0003214000000000 ] - [ 0.0076514900000000, -0.0121947700000000, -0.0082307400000000 ] - [ -0.0039104500000000, 0.0010107000000000, 0.0017144900000000 ] - [ 0.0339410700000000, -0.0059132300000000, 0.0076118800000000 ] - [ -0.0043553600000000, -0.0006043200000000, -0.0000003800000000 ] - [ 0.0088705900000000, 0.0042923900000000, 0.0072532500000000 ] - [ -0.0042403700000000, 0.0011534600000000, 0.0010378800000000 ] - [ 0.0081558400000000, -0.0023533500000000, 0.0002041800000000 ] - [ -0.0039173400000000, 0.0014294800000000, -0.0007786600000000 ] - [ 0.0088694300000000, 0.0035166100000000, -0.0034255600000000 ] - [ -0.0036067700000000, -0.0001351000000000, 0.0001463700000000 ] - [ 0.0227432100000000, -0.0016866300000000, -0.0158436400000000 ] - [ -0.0044611100000000, 0.0011016900000000, -0.0014857200000000 ] - [ 0.0024542100000000, 0.0003740100000000, 0.0001407700000000 ] - [ -0.0044622400000000, -0.0018090500000000, -0.0009583300000000 ] - [ 0.0005600600000000, -0.0063356200000000, 0.0037597600000000 ] - [ -0.0034246900000000, 0.0003746000000000, -0.0005889600000000 ] - [ -0.0008504000000000, 0.0012912400000000, -0.0024177000000000 ] - [ -0.0033876800000000, -0.0013275800000000, -0.0007720400000000 ] - [ 0.0025898400000000, 0.0006159100000000, 0.0002443400000000 ] - [ 0.0022190700000000, 0.0000880600000000, -0.0003209500000000 ] - [ 0.0016243700000000, -0.0004042100000000, 0.0000701300000000 ] - [ 0.0020861400000000, 0.0017535500000000, -0.0005428600000000 ] - [ 0.0014928400000000, 0.0003293600000000, -0.0006071600000000 ] - [ 0.0016169400000000, -0.0003645300000000, 0.0005779300000000 ] - [ 0.0003697700000000, 0.0003073000000000, 0.0000061700000000 ] - [ 0.0001799900000000, 0.0000536900000000, -0.0005584100000000 ] - [ 0.0011902200000000, -0.0002102800000000, 0.0003026500000000 ] - [ 0.0004477600000000, 0.0019053700000000, -0.0018892800000000 ] - [ 0.0035794400000000, 0.0003138200000000, -0.0004196200000000 ] - [ 0.0183266900000000, 0.0082054200000000, -0.0049959600000000 ] - [ 0.0021129800000000, 0.0003457600000000, 0.0000430500000000 ] - [ -0.0000933800000000, -0.0005626400000000, -0.0015878000000000 ] - [ 0.0027841900000000, -0.0000909600000000, -0.0016217900000000 ] - [ -0.0007267100000000, 0.0013537200000000, 0.0024890800000000 ] - [ -0.0009149500000000, -0.0006822800000000, -0.0010333400000000 ] - [ 0.0022990700000000, -0.0000465000000000, -0.0006496200000000 ] - [ 0.0047482400000000, 0.0110914800000000, 0.0018617700000000 ] - [ 0.0024297700000000, -0.0000395100000000, -0.0004312900000000 ] - [ -0.0017569000000000, -0.0010274500000000, -0.0006973700000000 ] - [ 0.0019089100000000, -0.0003060600000000, -0.0001245200000000 ] - [ 0.0049367100000000, -0.0161292900000000, -0.0044593700000000 ] - [ 0.0011314400000000, 0.0001622500000000, -0.0001336800000000 ] - [ 0.0042009100000000, 0.0078258000000000, 0.0172216500000000 ] - [ 0.0009138200000000, -0.0001582200000000, -0.0005039300000000 ] - [ -0.0060285800000000, 0.0011391400000000, 0.0038594200000000 ] - [ 0.0023969600000000, -0.0003498200000000, -0.0006532800000000 ] - [ 0.0066832000000000, -0.0030289800000000, -0.0205180000000000 ] - [ 0.0022140100000000, -0.0003826100000000, 0.0002134600000000 ] - [ -0.0060676700000000, 0.0028179600000000, 0.0011114800000000 ] - [ 0.0026235100000000, -0.0008618200000000, -0.0003190400000000 ] - [ -0.0101421300000000, 0.0053695100000000, 0.0019752900000000 ] - [ 0.0026610800000000, -0.0004620500000000, 0.0000903000000000 ] - [ -0.0060561300000000, -0.0008571300000000, -0.0002825200000000 ] - [ 0.0019459700000000, -0.0004561000000000, -0.0000919400000000 ] - [ -0.1330085500000000, 0.0263432700000000, 0.0209629700000000 ] - [ 0.0024490500000000, -0.0002522800000000, 0.0005151100000000 ] - [ -0.0052371800000000, -0.0039911500000000, 0.0034625800000000 ] - [ 0.0010506400000000, -0.0001683300000000, 0.0001274600000000 ] - [ -0.0012167200000000, -0.0005690600000000, 0.0005130000000000 ] - [ 0.0008391200000000, -0.0002409000000000, 0.0001814500000000 ] - [ -0.0042113900000000, 0.0022545800000000, -0.0008068900000000 ] - [ 0.0020120600000000, -0.0007183200000000, 0.0002561900000000 ] - [ 0.0000325600000000, -0.0024142800000000, 0.0057930800000000 ] - [ 0.0016836800000000, 0.0000860900000000, 0.0004416200000000 ] - [ -0.0042225000000000, -0.0000175900000000, -0.0004463200000000 ] - [ 0.0028450800000000, 0.0001271400000000, 0.0004318400000000 ] - [ 0.0052820600000000, 0.0007536600000000, 0.0148788400000000 ] - [ 0.0031450200000000, 0.0000019000000000, -0.0003797900000000 ] - [ -0.0020466100000000, 0.0012888700000000, -0.0010644600000000 ] - [ 0.0018648200000000, -0.0000470500000000, 0.0007385100000000 ] - [ -0.0021842200000000, -0.0028438200000000, 0.0001219700000000 ] - [ 0.0020207200000000, 0.0004982000000000, 0.0000403000000000 ] - [ 0.0030299300000000, 0.0035794700000000, -0.0053421100000000 ] - [ 0.0009122100000000, 0.0000347100000000, 0.0005979100000000 ] - [ 0.0028581500000000, 0.0062339800000000, -0.0021933500000000 ] - [ 0.0014767700000000, -0.0000693800000000, 0.0005129900000000 ] - [ 0.0004169100000000, -0.0000990800000000, 0.0008239400000000 ] - [ 0.0014618000000000, 0.0002373600000000, -0.0003293600000000 ] - [ 0.0004019200000000, 0.0014383000000000, -0.0005118600000000 ] - [ 0.0011104500000000, 0.0000386900000000, 0.0003160100000000 ] - [ 0.0070878200000000, -0.0064074900000000, -0.0004933800000000 ] - [ 0.0039729800000000, 0.0019927900000000, 0.0000207000000000 ]- atom: 81 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ -0.0035007500000000, -0.0005901100000000, 0.0011025700000000 ] - [ 0.0008805900000000, 0.0001598000000000, 0.0001173200000000 ] - [ -0.0077018600000000, 0.0027737800000000, -0.0003123700000000 ] - [ 0.0010168100000000, 0.0004755400000000, -0.0002093100000000 ] - [ 0.0005332100000000, -0.0014459900000000, 0.0008885200000000 ] - [ 0.0007832600000000, -0.0000350600000000, -0.0006756100000000 ] - [ 0.0004867100000000, 0.0000325400000000, -0.0000014500000000 ] - [ 0.0008333400000000, 0.0002672500000000, 0.0003197100000000 ] - [ 0.0058960100000000, 0.0025667900000000, 0.0011937400000000 ] - [ 0.0032210400000000, -0.0018453900000000, -0.0018893600000000 ] - [ 0.0018065400000000, 0.0003156300000000, -0.0001961900000000 ] - [ 0.0000504700000000, -0.0021785900000000, 0.0024472600000000 ] - [ -0.0002481900000000, 0.0014145500000000, -0.0016403500000000 ] - [ 0.0020814900000000, -0.0003667800000000, 0.0000375000000000 ] - [ -0.0059946500000000, 0.0002207600000000, -0.0013654000000000 ] - [ 0.0019807900000000, -0.0001480600000000, -0.0002258200000000 ] - [ -0.0239696200000000, 0.0128609600000000, 0.0160215400000000 ] - [ 0.0024541900000000, -0.0002913700000000, 0.0004848100000000 ] - [ -0.0014815800000000, 0.0006938500000000, 0.0001123900000000 ] - [ 0.0016988500000000, 0.0002685600000000, -0.0000206300000000 ] - [ 0.0074908200000000, 0.0004485900000000, -0.0015512700000000 ] - [ 0.0058058800000000, 0.0105317000000000, 0.0005151900000000 ] - [ 0.0023871900000000, -0.0005492100000000, 0.0004079800000000 ] - [ 0.0004737700000000, 0.0009483000000000, -0.0015189000000000 ] - [ 0.0029469700000000, 0.0013716700000000, -0.0009594700000000 ] - [ 0.0006712300000000, -0.0001760800000000, -0.0003945100000000 ] - [ -0.0072569100000000, 0.0122021800000000, 0.0083971500000000 ] - [ 0.0044515400000000, -0.0011616000000000, -0.0016421200000000 ] - [ -0.0379100700000000, 0.0059894300000000, -0.0081958700000000 ] - [ 0.0043503700000000, 0.0004113000000000, 0.0001077900000000 ] - [ -0.0093273800000000, -0.0042074100000000, -0.0073141500000000 ] - [ 0.0040053200000000, -0.0010825700000000, -0.0010254300000000 ] - [ -0.0081829300000000, 0.0022636800000000, 0.0000307500000000 ] - [ 0.0039869600000000, -0.0015320100000000, 0.0009995200000000 ] - [ -0.0088440600000000, -0.0036277200000000, 0.0032455000000000 ] - [ 0.0037345500000000, 0.0001283100000000, -0.0004071300000000 ] - [ -0.0225514200000000, 0.0017224400000000, 0.0156847900000000 ] - [ 0.0047783600000000, -0.0010548500000000, 0.0013256700000000 ] - [ -0.0027118800000000, -0.0003110400000000, 0.0000261400000000 ] - [ 0.0042208100000000, 0.0018813300000000, 0.0011316600000000 ] - [ -0.0006296100000000, 0.0063438300000000, -0.0034982300000000 ] - [ 0.0033495600000000, -0.0003862800000000, 0.0008627500000000 ] - [ 0.0009308800000000, -0.0013730900000000, 0.0022028400000000 ] - [ 0.0033710200000000, 0.0012408000000000, 0.0005663700000000 ] - [ -0.0024570100000000, -0.0007846600000000, -0.0001526800000000 ] - [ -0.0020664300000000, -0.0002454400000000, 0.0004079800000000 ] - [ -0.0015164500000000, 0.0004432100000000, -0.0001505600000000 ] - [ -0.0019813700000000, -0.0017287100000000, 0.0004692000000000 ] - [ -0.0016446400000000, -0.0005530800000000, 0.0005775800000000 ] - [ -0.0017625000000000, 0.0001473600000000, -0.0006238500000000 ] - [ -0.0004960900000000, -0.0003305100000000, 0.0001581200000000 ] - [ -0.0002995100000000, -0.0000751700000000, 0.0007281100000000 ] - [ -0.0010955500000000, 0.0005307800000000, -0.0002799500000000 ] - [ -0.0003382700000000, -0.0016032700000000, 0.0019327100000000 ] - [ -0.0034708300000000, -0.0003299600000000, 0.0003169300000000 ] - [ -0.0185476500000000, -0.0083554000000000, 0.0049811700000000 ] - [ -0.0020013600000000, -0.0002162300000000, 0.0001050400000000 ] - [ 0.0002403400000000, 0.0006963300000000, 0.0017512600000000 ] - [ -0.0028236000000000, 0.0001081600000000, 0.0014800500000000 ] - [ 0.0007314000000000, -0.0013546900000000, -0.0026685600000000 ] - [ 0.0009694200000000, 0.0007069400000000, 0.0011787600000000 ] - [ -0.0023024000000000, 0.0000653200000000, 0.0008050100000000 ] - [ -0.0048759100000000, -0.0111298700000000, -0.0020194700000000 ] - [ -0.0025715900000000, 0.0001662800000000, 0.0002901400000000 ] - [ 0.0016691500000000, 0.0010131400000000, 0.0008194400000000 ] - [ -0.0020507400000000, 0.0002927200000000, 0.0002331000000000 ] - [ -0.0050692600000000, 0.0167847400000000, 0.0045208000000000 ] - [ -0.0012444900000000, 0.0001675300000000, 0.0001200000000000 ] - [ -0.0040657100000000, -0.0079752700000000, -0.0177492300000000 ] - [ -0.0007980600000000, 0.0001392300000000, 0.0003374300000000 ] - [ 0.0062471300000000, -0.0013741400000000, -0.0038842300000000 ] - [ -0.0022766600000000, 0.0001311600000000, 0.0006848600000000 ] - [ -0.0068799200000000, 0.0030963400000000, 0.0209404500000000 ] - [ -0.0023488700000000, 0.0004324700000000, -0.0001272800000000 ] - [ 0.0059666500000000, -0.0030045700000000, -0.0012137500000000 ] - [ -0.0028136600000000, 0.0007064100000000, 0.0002347700000000 ] - [ 0.0103236300000000, -0.0054908800000000, -0.0018933000000000 ] - [ -0.0026175900000000, 0.0005097800000000, 0.0001038800000000 ] - [ 0.0061489400000000, 0.0007263500000000, 0.0001104100000000 ] - [ -0.0019199900000000, 0.0002841900000000, -0.0000905500000000 ] - [ 0.1368159900000000, -0.0259995000000000, -0.0190004700000000 ] - [ -0.0026008200000000, 0.0001753100000000, -0.0004354800000000 ] - [ 0.0050612700000000, 0.0040870900000000, -0.0035482400000000 ] - [ -0.0012457600000000, 0.0001364600000000, -0.0000775500000000 ] - [ 0.0013001400000000, 0.0006167500000000, -0.0005141000000000 ] - [ -0.0007651200000000, 0.0002675300000000, -0.0001624700000000 ] - [ 0.0041100000000000, -0.0025811100000000, 0.0009526900000000 ] - [ -0.0021301500000000, 0.0004352500000000, -0.0001324700000000 ] - [ -0.0002586600000000, 0.0024596600000000, -0.0060090400000000 ] - [ -0.0019178800000000, -0.0001106800000000, -0.0003791600000000 ] - [ 0.0043348300000000, 0.0001648700000000, 0.0005923600000000 ] - [ -0.0027597400000000, 0.0000177900000000, -0.0002935600000000 ] - [ -0.0053462000000000, -0.0006018300000000, -0.0148427200000000 ] - [ -0.0032839400000000, 0.0001452300000000, 0.0002495800000000 ] - [ 0.0022721900000000, -0.0013154000000000, 0.0009958900000000 ] - [ -0.0016533100000000, 0.0000245700000000, -0.0008117900000000 ] - [ 0.0022696400000000, 0.0025691800000000, -0.0002545200000000 ] - [ -0.0019328700000000, -0.0007840800000000, -0.0001670500000000 ] - [ -0.0031288600000000, -0.0035714900000000, 0.0052877000000000 ] - [ -0.0009976800000000, -0.0000135900000000, -0.0006335600000000 ] - [ -0.0026723500000000, -0.0062493400000000, 0.0021460700000000 ] - [ -0.0013027200000000, 0.0000381100000000, -0.0005667300000000 ] - [ -0.0002985700000000, 0.0000200500000000, -0.0008983700000000 ] - [ -0.0013315000000000, -0.0003184600000000, 0.0002577700000000 ] - [ -0.0004618900000000, -0.0016226700000000, 0.0006838800000000 ] - [ -0.0011533500000000, -0.0002159700000000, -0.0001419300000000 ] - [ -0.0071754500000000, 0.0064284800000000, 0.0002983000000000 ] - [ -0.0040754700000000, -0.0019691200000000, -0.0002147000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000334300000000, 0.0005940900000000, 0.0002909400000000 ] - [ -0.0000784600000000, 0.0001954500000000, -0.0000255900000000 ] - [ -0.0014326200000000, -0.0018925200000000, 0.0015076900000000 ] - [ 0.0001767500000000, 0.0001436100000000, 0.0000948300000000 ] - [ 0.0010209000000000, -0.0001258900000000, 0.0006062400000000 ] - [ -0.0000736500000000, 0.0001478900000000, -0.0000561200000000 ] - [ 0.0002435300000000, -0.0000566600000000, -0.0000334000000000 ] - [ 0.0000613000000000, -0.0000216600000000, -0.0001477200000000 ] - [ -0.0012502900000000, 0.0006182400000000, -0.0003949000000000 ] - [ 0.0006947500000000, 0.0002058500000000, 0.0000118100000000 ] - [ -0.0002063600000000, -0.0002288100000000, -0.0000704800000000 ] - [ 0.0004616300000000, -0.0016101600000000, 0.0009868200000000 ] - [ -0.0003526800000000, 0.0008415900000000, -0.0002036600000000 ] - [ 0.0001932400000000, 0.0001036000000000, 0.0000029100000000 ] - [ -0.0026694700000000, -0.0061913100000000, 0.0016885800000000 ] - [ 0.0000605000000000, -0.0000703200000000, 0.0000713200000000 ] - [ -0.0160121700000000, 0.0218908800000000, 0.0177775800000000 ] - [ 0.0000601800000000, 0.0001974200000000, -0.0000277100000000 ] - [ -0.0011445200000000, -0.0015049400000000, -0.0007276700000000 ] - [ 0.0002348200000000, -0.0000539000000000, -0.0000151800000000 ] - [ 0.0034158300000000, 0.0004858200000000, -0.0001815200000000 ] - [ -0.0045849700000000, 0.0010022200000000, 0.0013373600000000 ] - [ 0.0001339000000000, -0.0007155400000000, 0.0002645000000000 ] - [ 0.0006960400000000, -0.0017781700000000, 0.0004012000000000 ] - [ -0.0005793900000000, -0.0001603900000000, 0.0003580700000000 ] - [ 0.0011093700000000, -0.0000886100000000, -0.0008267100000000 ] - [ -0.0024260900000000, 0.0005332300000000, -0.0026709300000000 ] - [ 0.0008594700000000, -0.0001476400000000, -0.0003033400000000 ] - [ 0.0010996500000000, 0.0204906600000000, 0.0012303400000000 ] - [ 0.0003875600000000, 0.0002453900000000, 0.0001262300000000 ] - [ 0.0053475800000000, -0.0008220300000000, -0.0047280200000000 ] - [ -0.0000412500000000, -0.0000602900000000, 0.0001554600000000 ] - [ 0.0006762500000000, -0.0064477900000000, 0.0009207000000000 ] - [ 0.0003323900000000, -0.0003426500000000, 0.0000576200000000 ] - [ 0.0002291100000000, -0.0000753900000000, 0.0031043000000000 ] - [ 0.0003926400000000, 0.0000439400000000, -0.0002113000000000 ] - [ -0.0002263800000000, 0.0144264600000000, -0.0012289100000000 ] - [ 0.0005729800000000, 0.0000762800000000, 0.0001483300000000 ] - [ -0.0004333800000000, -0.0060796000000000, -0.0003278900000000 ] - [ 0.0000181600000000, -0.0007407500000000, 0.0002604000000000 ] - [ -0.0023761600000000, 0.0001566800000000, 0.0028249800000000 ] - [ 0.0006857600000000, -0.0001021100000000, -0.0000996800000000 ] - [ 0.0000045900000000, 0.0013732600000000, -0.0000590800000000 ] - [ 0.0004822600000000, 0.0004324100000000, -0.0001366000000000 ] - [ 0.0000586200000000, -0.0002879700000000, 0.0000269400000000 ] - [ -0.0003208200000000, -0.0005747500000000, 0.0001984600000000 ] - [ -0.0001625000000000, 0.0011040700000000, -0.0000663400000000 ] - [ 0.0000867200000000, 0.0010452500000000, -0.0003256100000000 ] - [ 0.0005464500000000, -0.0000176100000000, -0.0004096500000000 ] - [ -0.0006796400000000, -0.0000405000000000, 0.0000986600000000 ] - [ -0.0000728500000000, 0.0002596300000000, -0.0000887100000000 ] - [ -0.0001581300000000, 0.0005505100000000, 0.0001079200000000 ] - [ -0.0001941700000000, 0.0004378700000000, -0.0003105900000000 ] - [ 0.0002907000000000, 0.0006550500000000, -0.0005635300000000 ] - [ -0.0002607600000000, -0.0006956500000000, -0.0001211800000000 ] - [ -0.0026011400000000, -0.0014760000000000, 0.0004734900000000 ] - [ 0.0001484800000000, 0.0002281800000000, 0.0000516700000000 ] - [ -0.0013678700000000, 0.0005557000000000, 0.0009143500000000 ] - [ -0.0005663300000000, 0.0000440600000000, 0.0004146600000000 ] - [ 0.0012311200000000, -0.0000004000000000, 0.0002327900000000 ] - [ -0.0014446300000000, -0.0003260300000000, 0.0017850500000000 ] - [ 0.0000999600000000, -0.0000005100000000, -0.0000187900000000 ] - [ 0.0117091600000000, 0.0044065600000000, 0.0018465300000000 ] - [ -0.0007117100000000, 0.0000308600000000, -0.0000340700000000 ] - [ -0.0002912400000000, 0.0019773700000000, -0.0000602900000000 ] - [ -0.0001949900000000, 0.0001483500000000, 0.0000048000000000 ] - [ -0.0109306700000000, 0.0047888200000000, 0.0012893000000000 ] - [ -0.0000930200000000, 0.0000507500000000, -0.0000466800000000 ] - [ 0.0006275300000000, -0.0043538900000000, -0.0011937400000000 ] - [ -0.0000126900000000, -0.0001191800000000, -0.0000239800000000 ] - [ 0.0012664800000000, -0.0006185400000000, 0.0003235300000000 ] - [ -0.0001505300000000, -0.0001210100000000, 0.0001669000000000 ] - [ -0.0016896800000000, -0.0061469000000000, 0.0019889000000000 ] - [ -0.0002341500000000, -0.0000286900000000, -0.0000451700000000 ] - [ 0.0000431200000000, 0.0012826400000000, -0.0001059400000000 ] - [ -0.0003013500000000, 0.0001040100000000, 0.0000067400000000 ] - [ -0.0033569400000000, 0.0063836100000000, 0.0112150100000000 ] - [ -0.0001229900000000, 0.0000199200000000, 0.0000574300000000 ] - [ 0.0013444900000000, 0.0036438100000000, 0.0031780400000000 ] - [ -0.0001582500000000, -0.0000238800000000, -0.0000038600000000 ] - [ 0.0256832500000000, -0.0691565100000000, -0.0272812600000000 ] - [ -0.0002791700000000, -0.0001010900000000, -0.0000777600000000 ] - [ 0.0000745300000000, 0.0058934500000000, -0.0130850600000000 ] - [ -0.0001780900000000, -0.0000622100000000, -0.0000258500000000 ] - [ -0.0000904200000000, 0.0024633800000000, -0.0003541100000000 ] - [ -0.0000406000000000, 0.0000799900000000, 0.0000340800000000 ] - [ 0.0008954600000000, 0.0042562500000000, -0.0027330400000000 ] - [ -0.0003182800000000, 0.0000298800000000, 0.0000927500000000 ] - [ -0.0002221100000000, 0.0009511400000000, 0.0023723000000000 ] - [ -0.0003223100000000, -0.0000953500000000, -0.0000156400000000 ] - [ 0.0001001200000000, 0.0033168800000000, 0.0000817300000000 ] - [ -0.0000445300000000, 0.0002340200000000, 0.0000782900000000 ] - [ 0.0005756700000000, -0.0026992900000000, 0.0005446800000000 ] - [ -0.0004225300000000, -0.0000322200000000, -0.0000704700000000 ] - [ 0.0001425700000000, 0.0011192800000000, 0.0000094300000000 ] - [ -0.0000117900000000, 0.0002011000000000, 0.0000094600000000 ] - [ -0.0009540300000000, -0.0011710200000000, -0.0000857700000000 ] - [ -0.0000899100000000, -0.0003396200000000, -0.0000321100000000 ] - [ 0.0001257400000000, -0.0018865300000000, -0.0001753700000000 ] - [ -0.0001310900000000, -0.0001434800000000, 0.0000393900000000 ] - [ 0.0032218900000000, 0.0039375000000000, -0.0013906100000000 ] - [ -0.0001187000000000, 0.0002225300000000, -0.0000135000000000 ] - [ 0.0001324900000000, 0.0008352200000000, -0.0000994800000000 ] - [ -0.0002091600000000, 0.0001492700000000, -0.0002869200000000 ] - [ 0.0004727300000000, -0.0005019700000000, -0.0001842900000000 ] - [ -0.0004967800000000, -0.0001943400000000, 0.0002040100000000 ] - [ -0.0056480100000000, 0.0044444000000000, -0.0000228700000000 ] - [ 0.0010474100000000, 0.0004760000000000, -0.0002468400000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002415900000000, -0.0002585300000000, -0.0002959100000000 ] - [ -0.0001974100000000, 0.0001227900000000, 0.0000178700000000 ] - [ 0.0016510500000000, 0.0027074600000000, -0.0013332900000000 ] - [ 0.0000169500000000, 0.0001151800000000, 0.0001308900000000 ] - [ -0.0012193000000000, 0.0003789100000000, -0.0008403300000000 ] - [ -0.0001226800000000, 0.0001102000000000, -0.0001692800000000 ] - [ 0.0000313400000000, 0.0003734700000000, 0.0000465300000000 ] - [ 0.0002125200000000, 0.0003395000000000, 0.0001573800000000 ] - [ 0.0014303700000000, -0.0005823100000000, 0.0003796000000000 ] - [ -0.0005188500000000, -0.0001703600000000, -0.0000095400000000 ] - [ 0.0000200200000000, 0.0001782100000000, 0.0001708900000000 ] - [ -0.0006372000000000, 0.0015547900000000, -0.0008826700000000 ] - [ 0.0005263600000000, -0.0009044800000000, 0.0001101600000000 ] - [ -0.0000084500000000, -0.0001570300000000, -0.0001043200000000 ] - [ 0.0025273900000000, 0.0062564000000000, -0.0017218400000000 ] - [ -0.0002452100000000, 0.0000948200000000, -0.0000718100000000 ] - [ 0.0165775300000000, -0.0220994900000000, -0.0183166300000000 ] - [ -0.0000931100000000, -0.0001647000000000, 0.0001253400000000 ] - [ 0.0011654700000000, 0.0015386500000000, 0.0006255400000000 ] - [ -0.0002092400000000, 0.0000869500000000, -0.0000817600000000 ] - [ -0.0031713600000000, -0.0004175200000000, 0.0001592300000000 ] - [ 0.0048700500000000, -0.0009741200000000, -0.0013648400000000 ] - [ -0.0001132800000000, 0.0005282000000000, -0.0003782000000000 ] - [ -0.0006602000000000, 0.0015819100000000, -0.0005084500000000 ] - [ 0.0000688300000000, 0.0000274500000000, -0.0004376100000000 ] - [ -0.0016178900000000, -0.0000473100000000, 0.0007425500000000 ] - [ 0.0029515500000000, -0.0007456000000000, 0.0027641200000000 ] - [ -0.0003550400000000, 0.0000029500000000, 0.0003908400000000 ] - [ -0.0008655100000000, -0.0207441900000000, -0.0010568600000000 ] - [ -0.0004241600000000, -0.0004395400000000, -0.0000196100000000 ] - [ -0.0055800200000000, 0.0009583200000000, 0.0047366400000000 ] - [ -0.0002324700000000, 0.0001443500000000, -0.0001313500000000 ] - [ -0.0006240900000000, 0.0063478000000000, -0.0006813400000000 ] - [ -0.0002981800000000, 0.0002528600000000, 0.0001559400000000 ] - [ -0.0001289000000000, -0.0000183600000000, -0.0033638000000000 ] - [ -0.0002968900000000, -0.0000528500000000, -0.0000454600000000 ] - [ 0.0004962500000000, -0.0145173100000000, 0.0005253400000000 ] - [ -0.0003008100000000, -0.0000184900000000, -0.0003184900000000 ] - [ 0.0001295700000000, 0.0061376500000000, 0.0004915300000000 ] - [ -0.0002969300000000, 0.0007959700000000, -0.0000919100000000 ] - [ 0.0022537700000000, -0.0001287300000000, -0.0025308800000000 ] - [ -0.0007886600000000, 0.0000995400000000, 0.0003585800000000 ] - [ 0.0000118400000000, -0.0014611500000000, -0.0001338600000000 ] - [ -0.0005264000000000, -0.0005276900000000, -0.0000757800000000 ] - [ 0.0000893700000000, 0.0001195200000000, 0.0000595100000000 ] - [ 0.0004906000000000, 0.0004107600000000, -0.0001141300000000 ] - [ 0.0002960800000000, -0.0010619600000000, -0.0000142800000000 ] - [ 0.0000307000000000, -0.0009946500000000, 0.0002408200000000 ] - [ -0.0006746600000000, -0.0002045400000000, 0.0003719600000000 ] - [ 0.0005440200000000, -0.0001819400000000, -0.0001306600000000 ] - [ -0.0000468700000000, -0.0002823600000000, 0.0002540600000000 ] - [ 0.0000371800000000, -0.0005690100000000, 0.0000578100000000 ] - [ 0.0003003300000000, -0.0001135200000000, 0.0003353100000000 ] - [ -0.0001864900000000, -0.0003232300000000, 0.0005805300000000 ] - [ 0.0003844300000000, 0.0006896800000000, 0.0000181200000000 ] - [ 0.0028039300000000, 0.0015173000000000, -0.0006011000000000 ] - [ -0.0000206000000000, -0.0001030400000000, 0.0000929400000000 ] - [ 0.0014883000000000, -0.0004317100000000, -0.0007685700000000 ] - [ 0.0005511900000000, -0.0000251400000000, -0.0005694200000000 ] - [ -0.0012499700000000, 0.0000259200000000, -0.0003846100000000 ] - [ 0.0014598900000000, 0.0003322800000000, -0.0016299000000000 ] - [ -0.0000794700000000, 0.0000174000000000, 0.0001670000000000 ] - [ -0.0119896600000000, -0.0043192800000000, -0.0020094700000000 ] - [ 0.0005938600000000, 0.0000967400000000, -0.0001086300000000 ] - [ 0.0001612400000000, -0.0019962800000000, 0.0001717600000000 ] - [ 0.0000745000000000, -0.0001665600000000, 0.0001017800000000 ] - [ 0.0106577500000000, -0.0043975400000000, -0.0012963500000000 ] - [ -0.0000100000000000, 0.0002757900000000, 0.0000301000000000 ] - [ -0.0004449900000000, 0.0043706400000000, 0.0010810600000000 ] - [ 0.0001356200000000, 0.0001013000000000, -0.0001454200000000 ] - [ -0.0011403800000000, 0.0004100800000000, -0.0002942300000000 ] - [ 0.0002897100000000, -0.0000986500000000, -0.0001416700000000 ] - [ 0.0016655300000000, 0.0061355600000000, -0.0019911200000000 ] - [ 0.0001176600000000, 0.0000720900000000, 0.0001326600000000 ] - [ -0.0002288900000000, -0.0014253200000000, 0.0000167300000000 ] - [ 0.0001352500000000, -0.0002660400000000, -0.0000934000000000 ] - [ 0.0033863000000000, -0.0062383000000000, -0.0108530600000000 ] - [ 0.0001903100000000, 0.0000218800000000, 0.0001365500000000 ] - [ -0.0013163000000000, -0.0038190300000000, -0.0034097000000000 ] - [ 0.0002035100000000, -0.0001484400000000, -0.0001767800000000 ] - [ -0.0266390100000000, 0.0687860700000000, 0.0285301000000000 ] - [ 0.0001503600000000, 0.0000216600000000, 0.0001603500000000 ] - [ -0.0002587000000000, -0.0059658600000000, 0.0133200000000000 ] - [ -0.0000077900000000, 0.0000293200000000, 0.0000755000000000 ] - [ 0.0001691100000000, -0.0024259100000000, 0.0003630600000000 ] - [ 0.0001213700000000, -0.0000553900000000, -0.0000141400000000 ] - [ -0.0009931700000000, -0.0045256400000000, 0.0028203800000000 ] - [ 0.0002162600000000, -0.0003182300000000, 0.0000329800000000 ] - [ -0.0000264900000000, -0.0008937200000000, -0.0024676800000000 ] - [ 0.0001020800000000, 0.0000741400000000, 0.0000814300000000 ] - [ 0.0000122000000000, -0.0031687800000000, 0.0000557700000000 ] - [ 0.0001532100000000, -0.0000886300000000, 0.0000635100000000 ] - [ -0.0007315900000000, 0.0028356600000000, -0.0007171600000000 ] - [ 0.0003186200000000, 0.0001773600000000, -0.0000695500000000 ] - [ 0.0000867900000000, -0.0011421600000000, -0.0000852000000000 ] - [ 0.0002403900000000, -0.0002215200000000, -0.0000762600000000 ] - [ 0.0010570000000000, 0.0009075200000000, -0.0000402500000000 ] - [ 0.0001956900000000, 0.0000601400000000, -0.0000932400000000 ] - [ -0.0002192200000000, 0.0018819500000000, 0.0001402000000000 ] - [ 0.0000548900000000, 0.0001607100000000, -0.0000642700000000 ] - [ -0.0029940500000000, -0.0039536600000000, 0.0013297300000000 ] - [ 0.0003072300000000, -0.0002597600000000, -0.0000322500000000 ] - [ 0.0000113500000000, -0.0009126700000000, 0.0000311600000000 ] - [ 0.0003447500000000, -0.0002279200000000, 0.0002082000000000 ] - [ -0.0005118300000000, 0.0003131300000000, 0.0003535200000000 ] - [ 0.0004552900000000, 0.0000169900000000, -0.0000269900000000 ] - [ 0.0056362100000000, -0.0044143000000000, -0.0001724100000000 ] - [ -0.0011169100000000, -0.0004254500000000, 0.0000541800000000 ]- atom: 81 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ 0.0010389400000000, 0.0001949200000000, -0.0046408400000000 ] - [ -0.0003434300000000, 0.0001712700000000, -0.0001078200000000 ] - [ 0.0014427700000000, 0.0053395800000000, 0.0062634400000000 ] - [ -0.0000761100000000, 0.0000555600000000, 0.0001994900000000 ] - [ -0.0014211100000000, 0.0017505500000000, 0.0009091700000000 ] - [ -0.0002125600000000, 0.0001218900000000, 0.0001692100000000 ] - [ -0.0000537800000000, 0.0004489900000000, -0.0006165500000000 ] - [ -0.0001168200000000, -0.0000602500000000, -0.0004279800000000 ] - [ -0.0013737600000000, -0.0015340000000000, 0.0033961000000000 ] - [ -0.0003458600000000, 0.0010226000000000, 0.0015363600000000 ] - [ -0.0001154700000000, -0.0001264500000000, 0.0000269600000000 ] - [ -0.0009209400000000, 0.0006953700000000, -0.0006735100000000 ] - [ 0.0028143300000000, 0.0021436000000000, -0.0014424300000000 ] - [ -0.0009866400000000, 0.0004167200000000, 0.0001035700000000 ] - [ 0.0017233600000000, -0.0003912800000000, 0.0047875100000000 ] - [ -0.0004804700000000, -0.0000297000000000, 0.0002114900000000 ] - [ -0.0148956400000000, 0.0140912000000000, 0.0217114100000000 ] - [ -0.0007725000000000, 0.0002300900000000, -0.0002400100000000 ] - [ -0.0021105900000000, -0.0019249900000000, -0.0013396200000000 ] - [ -0.0001134800000000, -0.0000991800000000, -0.0000350600000000 ] - [ 0.0018152200000000, 0.0006776500000000, 0.0008419800000000 ] - [ -0.0033302000000000, -0.0046309300000000, 0.0023433500000000 ] - [ -0.0006651700000000, -0.0002146100000000, 0.0007479900000000 ] - [ 0.0019404600000000, -0.0017222700000000, 0.0013646400000000 ] - [ -0.0014517800000000, -0.0018021600000000, -0.0011626900000000 ] - [ 0.0022427400000000, -0.0003287200000000, -0.0021040600000000 ] - [ -0.0008471400000000, -0.0097693700000000, -0.0071568300000000 ] - [ -0.0001724800000000, 0.0002018700000000, -0.0000853600000000 ] - [ -0.0212557400000000, 0.0020622300000000, 0.0278523900000000 ] - [ -0.0005559700000000, 0.0000569200000000, 0.0002022800000000 ] - [ 0.0108790800000000, -0.0078067400000000, 0.0052379400000000 ] - [ -0.0012618900000000, 0.0002115500000000, 0.0006503800000000 ] - [ 0.0018990100000000, 0.0010813100000000, -0.0031080500000000 ] - [ -0.0006601000000000, 0.0000974700000000, -0.0002674200000000 ] - [ 0.0045682700000000, 0.0125610900000000, -0.0144122700000000 ] - [ -0.0005207600000000, 0.0000580700000000, -0.0002033100000000 ] - [ 0.0053426100000000, 0.0061679400000000, 0.0712033900000000 ] - [ -0.0007574400000000, 0.0003583200000000, -0.0000536900000000 ] - [ 0.0002684500000000, -0.0003862600000000, 0.0023352200000000 ] - [ -0.0013342500000000, -0.0011708000000000, 0.0003897200000000 ] - [ 0.0045765500000000, 0.0020491100000000, -0.0038173000000000 ] - [ -0.0005504900000000, 0.0000109100000000, -0.0006841100000000 ] - [ -0.0091826600000000, -0.0030000300000000, -0.0125944200000000 ] - [ 0.0002940600000000, 0.0001852400000000, -0.0005493800000000 ] - [ 0.0028945500000000, 0.0013755500000000, 0.0008234800000000 ] - [ -0.0008214200000000, -0.0003181500000000, 0.0009198800000000 ] - [ -0.0004819700000000, 0.0001546700000000, -0.0005696600000000 ] - [ 0.0007815900000000, 0.0012496600000000, -0.0011315200000000 ] - [ -0.0009245700000000, -0.0000250600000000, 0.0012464800000000 ] - [ 0.0003088800000000, -0.0001992400000000, 0.0014094200000000 ] - [ 0.0001426000000000, 0.0002139200000000, -0.0000666400000000 ] - [ -0.0002976800000000, 0.0005260400000000, 0.0000608000000000 ] - [ 0.0005581500000000, -0.0002584700000000, -0.0008005800000000 ] - [ -0.0004738400000000, 0.0008536600000000, -0.0018795000000000 ] - [ 0.0004425600000000, -0.0004606400000000, -0.0007761600000000 ] - [ 0.0087408500000000, 0.0034043500000000, -0.0027395200000000 ] - [ 0.0009169300000000, 0.0006028900000000, -0.0000988900000000 ] - [ -0.0020401800000000, 0.0008049100000000, -0.0007468100000000 ] - [ 0.0001009700000000, -0.0000076200000000, 0.0001461300000000 ] - [ 0.0014533500000000, 0.0009935000000000, 0.0000254800000000 ] - [ -0.0028127200000000, 0.0009121800000000, 0.0025443900000000 ] - [ 0.0007638700000000, 0.0001353600000000, -0.0001641100000000 ] - [ 0.0039430800000000, 0.0049327600000000, -0.0018457200000000 ] - [ -0.0000983200000000, -0.0000111200000000, -0.0001647900000000 ] - [ -0.0024221300000000, 0.0021537300000000, -0.0012255700000000 ] - [ 0.0004230200000000, 0.0000635800000000, -0.0001492600000000 ] - [ 0.0033486600000000, -0.0070787200000000, -0.0073237900000000 ] - [ 0.0000968800000000, 0.0000991700000000, -0.0002380400000000 ] - [ 0.0142289800000000, 0.0059019200000000, 0.0101546700000000 ] - [ 0.0001981500000000, -0.0001144000000000, -0.0000755000000000 ] - [ -0.0035994500000000, -0.0008407100000000, 0.0057188400000000 ] - [ 0.0005520500000000, -0.0002491700000000, 0.0001414600000000 ] - [ -0.0252168000000000, 0.0037567400000000, 0.0076706700000000 ] - [ 0.0004719100000000, -0.0001075700000000, -0.0001593300000000 ] - [ -0.0010431000000000, 0.0015189400000000, 0.0003147400000000 ] - [ 0.0002937000000000, -0.0001834900000000, -0.0000228600000000 ] - [ -0.0067649000000000, 0.0162666100000000, 0.0051674600000000 ] - [ 0.0005921800000000, -0.0001236600000000, 0.0000134800000000 ] - [ -0.0004888700000000, 0.0034529700000000, 0.0102392700000000 ] - [ 0.0003360800000000, -0.0001402500000000, 0.0000687100000000 ] - [ 0.0200234300000000, -0.0277509100000000, -0.1904405100000000 ] - [ 0.0003990000000000, -0.0001596200000000, -0.0000486300000000 ] - [ -0.0010738100000000, -0.0146977900000000, 0.0091056100000000 ] - [ 0.0001194700000000, -0.0000870700000000, -0.0000296400000000 ] - [ -0.0002550900000000, -0.0025034000000000, 0.0047662600000000 ] - [ 0.0001438500000000, -0.0000188400000000, 0.0001636400000000 ] - [ -0.0022457900000000, -0.0048167600000000, 0.0041894200000000 ] - [ 0.0002726900000000, -0.0001447200000000, 0.0001945000000000 ] - [ 0.0031317300000000, -0.0073872200000000, 0.0292693600000000 ] - [ 0.0000475200000000, -0.0000606300000000, 0.0000409700000000 ] - [ -0.0003658400000000, -0.0000060800000000, -0.0013174500000000 ] - [ 0.0007103100000000, 0.0002068500000000, 0.0001236700000000 ] - [ 0.0148457500000000, 0.0004864100000000, 0.0083541800000000 ] - [ 0.0005129100000000, -0.0000620200000000, -0.0004375700000000 ] - [ -0.0006901800000000, -0.0003450200000000, 0.0000790600000000 ] - [ 0.0004889900000000, 0.0001605900000000, 0.0002332900000000 ] - [ 0.0013343900000000, -0.0018828300000000, 0.0018482300000000 ] - [ 0.0003079000000000, -0.0002191500000000, 0.0000495300000000 ] - [ -0.0051268400000000, -0.0006119100000000, 0.0116215600000000 ] - [ 0.0001749800000000, -0.0001190000000000, 0.0005491500000000 ] - [ -0.0016163800000000, -0.0015755500000000, -0.0007771800000000 ] - [ 0.0004289700000000, 0.0000318400000000, 0.0001874500000000 ] - [ 0.0009307500000000, 0.0000252300000000, -0.0016305300000000 ] - [ -0.0002333600000000, 0.0002066700000000, -0.0007674400000000 ] - [ 0.0011534400000000, 0.0013387000000000, 0.0032363900000000 ] - [ -0.0004326800000000, -0.0001144100000000, 0.0004862400000000 ] - [ -0.0030518000000000, 0.0020890700000000, -0.0019986800000000 ] - [ 0.0020020600000000, 0.0012984100000000, -0.0002992900000000 ]- atom: 81 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ -0.0012742300000000, 0.0001059300000000, 0.0046113500000000 ] - [ 0.0000620100000000, 0.0001473400000000, 0.0000982400000000 ] - [ -0.0012119700000000, -0.0049464200000000, -0.0060534700000000 ] - [ 0.0002658800000000, 0.0002013500000000, 0.0000286200000000 ] - [ 0.0012191300000000, -0.0014734500000000, -0.0011091400000000 ] - [ 0.0000129600000000, 0.0001373600000000, -0.0003898000000000 ] - [ 0.0003220200000000, -0.0001250600000000, 0.0006182100000000 ] - [ 0.0003896300000000, 0.0003779700000000, 0.0004354200000000 ] - [ 0.0015530700000000, 0.0015396200000000, -0.0033476100000000 ] - [ 0.0005050200000000, -0.0009820300000000, -0.0015142900000000 ] - [ -0.0000722500000000, 0.0000703600000000, 0.0000681300000000 ] - [ 0.0007317900000000, -0.0007232100000000, 0.0007417700000000 ] - [ -0.0026048100000000, -0.0021819700000000, 0.0013533300000000 ] - [ 0.0011464700000000, -0.0004577400000000, -0.0001974400000000 ] - [ -0.0018825900000000, 0.0003577400000000, -0.0047190800000000 ] - [ 0.0002881600000000, 0.0000523400000000, -0.0002061400000000 ] - [ 0.0160089200000000, -0.0150597700000000, -0.0225043300000000 ] - [ 0.0007295900000000, -0.0001931300000000, 0.0003332600000000 ] - [ 0.0021225600000000, 0.0019385900000000, 0.0012419600000000 ] - [ 0.0001325900000000, 0.0001302300000000, -0.0000606800000000 ] - [ -0.0015162600000000, -0.0005871000000000, -0.0008544300000000 ] - [ 0.0035220200000000, 0.0046107600000000, -0.0023799600000000 ] - [ 0.0006836500000000, 0.0000206800000000, -0.0008340500000000 ] - [ -0.0018962100000000, 0.0015159900000000, -0.0014473900000000 ] - [ 0.0009066700000000, 0.0016204100000000, 0.0010763600000000 ] - [ -0.0027321300000000, 0.0001791700000000, 0.0020098700000000 ] - [ 0.0014288600000000, 0.0095962800000000, 0.0071029900000000 ] - [ 0.0006682800000000, -0.0003396100000000, 0.0001693400000000 ] - [ 0.0208792800000000, -0.0022631900000000, -0.0277159300000000 ] - [ 0.0005084500000000, -0.0002449700000000, -0.0000936100000000 ] - [ -0.0110373600000000, 0.0078519400000000, -0.0050896500000000 ] - [ 0.0009637300000000, -0.0001268700000000, -0.0006080900000000 ] - [ -0.0018268700000000, -0.0011646200000000, 0.0032643600000000 ] - [ 0.0006786000000000, -0.0001832600000000, 0.0004742700000000 ] - [ -0.0043907400000000, -0.0123916700000000, 0.0140760300000000 ] - [ 0.0006038100000000, -0.0000654200000000, -0.0000542000000000 ] - [ -0.0043666600000000, -0.0059159900000000, -0.0652589400000000 ] - [ 0.0010094000000000, -0.0002942100000000, -0.0001168300000000 ] - [ -0.0005392100000000, 0.0004259200000000, -0.0021537800000000 ] - [ 0.0010295100000000, 0.0012092300000000, -0.0002229800000000 ] - [ -0.0046668700000000, -0.0020984700000000, 0.0039981300000000 ] - [ 0.0004338800000000, -0.0000163300000000, 0.0009327400000000 ] - [ 0.0090005500000000, 0.0028729300000000, 0.0122796600000000 ] - [ -0.0003348700000000, -0.0002816500000000, 0.0003325300000000 ] - [ -0.0026739700000000, -0.0015080400000000, -0.0007303600000000 ] - [ 0.0009760900000000, 0.0001606900000000, -0.0008289500000000 ] - [ 0.0005924100000000, -0.0001050300000000, 0.0004802800000000 ] - [ -0.0006459700000000, -0.0011908700000000, 0.0010404700000000 ] - [ 0.0007936000000000, -0.0001901600000000, -0.0012644000000000 ] - [ -0.0004370100000000, -0.0000233000000000, -0.0014237700000000 ] - [ -0.0002566400000000, -0.0002273000000000, 0.0002173600000000 ] - [ 0.0001762300000000, -0.0005426700000000, 0.0000950600000000 ] - [ -0.0004451000000000, 0.0005729000000000, 0.0008054800000000 ] - [ 0.0005747100000000, -0.0005157500000000, 0.0018711500000000 ] - [ -0.0003110400000000, 0.0004374400000000, 0.0006600800000000 ] - [ -0.0084593600000000, -0.0033487100000000, 0.0025498500000000 ] - [ -0.0007713500000000, -0.0004618900000000, 0.0002376300000000 ] - [ 0.0021526100000000, -0.0006716800000000, 0.0008705800000000 ] - [ -0.0001097200000000, 0.0000256800000000, -0.0002863300000000 ] - [ -0.0014908900000000, -0.0009704800000000, -0.0001237400000000 ] - [ 0.0028014700000000, -0.0008837200000000, -0.0023952400000000 ] - [ -0.0007248700000000, -0.0001140300000000, 0.0003012300000000 ] - [ -0.0039524500000000, -0.0046883700000000, 0.0017527700000000 ] - [ -0.0000277000000000, 0.0001386600000000, 0.0000194200000000 ] - [ 0.0022695800000000, -0.0021590600000000, 0.0013162300000000 ] - [ -0.0005369700000000, -0.0000801300000000, 0.0002525500000000 ] - [ -0.0033380500000000, 0.0072368800000000, 0.0072593900000000 ] - [ -0.0001964500000000, 0.0002239000000000, 0.0002183500000000 ] - [ -0.0143134800000000, -0.0059295000000000, -0.0103536200000000 ] - [ -0.0000731500000000, 0.0000909600000000, -0.0000882300000000 ] - [ 0.0036726100000000, 0.0006113000000000, -0.0056266900000000 ] - [ -0.0003995800000000, 0.0000242800000000, -0.0001106500000000 ] - [ 0.0247144600000000, -0.0036826900000000, -0.0075801400000000 ] - [ -0.0005742000000000, 0.0001497300000000, 0.0002408700000000 ] - [ 0.0008360800000000, -0.0016717500000000, -0.0003802800000000 ] - [ -0.0004481000000000, 0.0000210700000000, -0.0000633500000000 ] - [ 0.0067359900000000, -0.0159657600000000, -0.0049872300000000 ] - [ -0.0005127100000000, 0.0001622000000000, 0.0001794700000000 ] - [ 0.0004994500000000, -0.0036532900000000, -0.0103632800000000 ] - [ -0.0002868200000000, -0.0000359900000000, -0.0002489000000000 ] - [ -0.0216528900000000, 0.0284214900000000, 0.1846287900000000 ] - [ -0.0005203500000000, 0.0000779100000000, 0.0001312500000000 ] - [ 0.0008600500000000, 0.0144496500000000, -0.0090602600000000 ] - [ -0.0003007300000000, 0.0000538900000000, 0.0000801300000000 ] - [ 0.0003279000000000, 0.0024817900000000, -0.0047030800000000 ] - [ -0.0000613800000000, 0.0000440300000000, -0.0001390500000000 ] - [ 0.0021281400000000, 0.0045456600000000, -0.0040448000000000 ] - [ -0.0003641500000000, -0.0001422500000000, -0.0000661200000000 ] - [ -0.0033135500000000, 0.0072509800000000, -0.0286638000000000 ] - [ -0.0002608800000000, 0.0000356700000000, 0.0000243200000000 ] - [ 0.0004598700000000, 0.0001492900000000, 0.0014639800000000 ] - [ -0.0005856300000000, -0.0000592300000000, 0.0000196600000000 ] - [ -0.0146753100000000, -0.0003303100000000, -0.0084224300000000 ] - [ -0.0006059500000000, 0.0002065600000000, 0.0002937000000000 ] - [ 0.0009121000000000, 0.0003282500000000, -0.0001271700000000 ] - [ -0.0002561500000000, -0.0001827100000000, -0.0002919500000000 ] - [ -0.0012189100000000, 0.0015653800000000, -0.0019584600000000 ] - [ -0.0001993000000000, -0.0000590300000000, -0.0001735600000000 ] - [ 0.0050835000000000, 0.0006590700000000, -0.0115813900000000 ] - [ -0.0002473400000000, 0.0001397200000000, -0.0005677000000000 ] - [ 0.0017674800000000, 0.0015124200000000, 0.0007620300000000 ] - [ -0.0002319300000000, -0.0000661600000000, -0.0002292900000000 ] - [ -0.0007844500000000, -0.0001033500000000, 0.0015312300000000 ] - [ 0.0003727000000000, -0.0002824100000000, 0.0006808000000000 ] - [ -0.0011738300000000, -0.0014876200000000, -0.0030260500000000 ] - [ 0.0003935800000000, -0.0000625900000000, -0.0003016600000000 ] - [ 0.0029169000000000, -0.0019932800000000, 0.0018055200000000 ] - [ -0.0020326700000000, -0.0012343700000000, 0.0001075700000000 ]- atom: 83 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ 0.0010378800000000, 0.0002737700000000, -0.0001331200000000 ] - [ -0.0006356900000000, 0.0001510300000000, -0.0000686800000000 ] - [ 0.0009243000000000, 0.0003809800000000, -0.0000521400000000 ] - [ -0.0003382300000000, -0.0000493500000000, 0.0002734200000000 ] - [ -0.0021008600000000, 0.0012705100000000, 0.0009438000000000 ] - [ -0.0006897400000000, 0.0003527900000000, 0.0000831900000000 ] - [ -0.0001739900000000, 0.0006996900000000, -0.0003275200000000 ] - [ -0.0003897000000000, 0.0001106100000000, -0.0000093900000000 ] - [ -0.0007027200000000, -0.0003855300000000, 0.0008637400000000 ] - [ -0.0009119300000000, -0.0000056900000000, 0.0000164700000000 ] - [ -0.0008146600000000, -0.0000680000000000, 0.0002087400000000 ] - [ -0.0000604300000000, -0.0001122400000000, -0.0004375900000000 ] - [ -0.0046866900000000, 0.0024315900000000, 0.0018780300000000 ] - [ -0.0011154100000000, -0.0001000800000000, -0.0001655200000000 ] - [ 0.0226683100000000, 0.0159480300000000, 0.0170397400000000 ] - [ -0.0012188700000000, 0.0000921800000000, 0.0001662300000000 ] - [ 0.0020478400000000, -0.0004723300000000, 0.0007435900000000 ] - [ -0.0010338700000000, 0.0002091000000000, -0.0000261000000000 ] - [ 0.0017594700000000, 0.0009200300000000, -0.0005355000000000 ] - [ -0.0010096600000000, -0.0001804100000000, -0.0000364900000000 ] - [ -0.0031756400000000, -0.0005099400000000, 0.0013780400000000 ] - [ -0.0038479300000000, -0.0003419500000000, -0.0005056400000000 ] - [ -0.0027651300000000, 0.0008088600000000, -0.0003371700000000 ] - [ -0.0035766400000000, -0.0009533300000000, 0.0004069400000000 ] - [ -0.0015668400000000, -0.0003879400000000, -0.0003814200000000 ] - [ -0.0013646000000000, -0.0007209600000000, 0.0010138100000000 ] - [ 0.0022367200000000, -0.0011775900000000, 0.0020390600000000 ] - [ -0.0019753700000000, 0.0004357800000000, 0.0008650500000000 ] - [ 0.0023602600000000, 0.0028729500000000, -0.0028069800000000 ] - [ -0.0018682900000000, -0.0003905800000000, 0.0000586200000000 ] - [ 0.0031264100000000, 0.0006082300000000, 0.0007303400000000 ] - [ -0.0023444700000000, 0.0008318000000000, 0.0005230100000000 ] - [ 0.0040723500000000, -0.0015423500000000, 0.0003631900000000 ] - [ -0.0019988900000000, 0.0007176600000000, -0.0003040000000000 ] - [ 0.0183527600000000, 0.0003393800000000, -0.0015231300000000 ] - [ -0.0020059400000000, -0.0000379000000000, 0.0000124800000000 ] - [ 0.0230209700000000, -0.0023163400000000, 0.0020475800000000 ] - [ -0.0020687500000000, 0.0005757400000000, -0.0008398100000000 ] - [ 0.0019606100000000, 0.0024915600000000, 0.0037285800000000 ] - [ -0.0023606500000000, -0.0007346500000000, -0.0009390900000000 ] - [ 0.0014388300000000, -0.0011563100000000, -0.0004359100000000 ] - [ -0.0016725500000000, 0.0000023300000000, 0.0001576300000000 ] - [ 0.0006881500000000, -0.0050385500000000, -0.0040537800000000 ] - [ -0.0020795500000000, -0.0007058600000000, -0.0003983300000000 ] - [ 0.0010871200000000, 0.0003446700000000, 0.0001699100000000 ] - [ 0.0015403600000000, -0.0000096000000000, -0.0002634200000000 ] - [ 0.0004584200000000, -0.0002397000000000, -0.0004753800000000 ] - [ 0.0011418200000000, 0.0004695200000000, 0.0003419800000000 ] - [ 0.0000330700000000, -0.0000179800000000, 0.0002974900000000 ] - [ 0.0007123100000000, -0.0000497300000000, -0.0004079900000000 ] - [ 0.0002903900000000, -0.0003416900000000, 0.0004217900000000 ] - [ 0.0003362700000000, 0.0005220600000000, -0.0006241700000000 ] - [ 0.0017172700000000, -0.0001892300000000, -0.0003382500000000 ] - [ 0.0017249600000000, 0.0006621400000000, 0.0002293900000000 ] - [ 0.0012593800000000, 0.0004685400000000, -0.0002981400000000 ] - [ 0.0004410600000000, -0.0006063800000000, 0.0001214300000000 ] - [ 0.0013084100000000, -0.0001278000000000, 0.0000629500000000 ] - [ 0.0008563300000000, 0.0004047800000000, -0.0002336900000000 ] - [ 0.0016108700000000, -0.0000379100000000, -0.0007802100000000 ] - [ 0.0007941100000000, 0.0002849600000000, 0.0003652700000000 ] - [ 0.0000349300000000, 0.0000323800000000, -0.0009558400000000 ] - [ 0.0010624600000000, -0.0000524000000000, -0.0001478300000000 ] - [ 0.0031529400000000, -0.0012238800000000, 0.0039552100000000 ] - [ 0.0011875000000000, 0.0001068500000000, -0.0003495700000000 ] - [ 0.0030673200000000, 0.0045644500000000, 0.0002552400000000 ] - [ 0.0012678900000000, -0.0003896800000000, -0.0001346500000000 ] - [ -0.0007182200000000, -0.0006972800000000, 0.0008165600000000 ] - [ 0.0004758000000000, 0.0001384400000000, -0.0001586300000000 ] - [ -0.0008696900000000, -0.0010827200000000, 0.0004635800000000 ] - [ 0.0004641400000000, -0.0000077600000000, -0.0002606400000000 ] - [ 0.0038148800000000, -0.0005346200000000, -0.0124906100000000 ] - [ 0.0013627000000000, -0.0002246500000000, -0.0002824200000000 ] - [ 0.0030257500000000, -0.0108649000000000, 0.0017227300000000 ] - [ 0.0010950000000000, -0.0001793500000000, 0.0000791000000000 ] - [ -0.0026171700000000, 0.0016090200000000, 0.0002235000000000 ] - [ 0.0012782900000000, -0.0005271700000000, -0.0001701300000000 ] - [ -0.0029387600000000, 0.0031296300000000, 0.0001485000000000 ] - [ 0.0014400500000000, -0.0002124800000000, 0.0001068300000000 ] - [ -0.0003404100000000, 0.0004513600000000, 0.0015278700000000 ] - [ 0.0010175500000000, -0.0002908500000000, -0.0001174100000000 ] - [ -0.0052073700000000, 0.0001032200000000, -0.0009385200000000 ] - [ 0.0010826600000000, -0.0001243800000000, 0.0002586100000000 ] - [ -0.0707971400000000, -0.0258954100000000, -0.0269624500000000 ] - [ 0.0005308800000000, -0.0001226200000000, 0.0001102200000000 ] - [ -0.0027950700000000, -0.0003140000000000, 0.0008691200000000 ] - [ 0.0004973900000000, -0.0001398300000000, 0.0000713700000000 ] - [ -0.0017968300000000, 0.0004917400000000, 0.0000935700000000 ] - [ 0.0009782800000000, -0.0004185800000000, 0.0001288400000000 ] - [ -0.0075205800000000, 0.0018345400000000, 0.0018682100000000 ] - [ 0.0008368700000000, 0.0000246500000000, 0.0003047400000000 ] - [ -0.0033405900000000, -0.0000047900000000, -0.0002808600000000 ] - [ 0.0014913500000000, 0.0000684400000000, 0.0002826500000000 ] - [ 0.0029176200000000, 0.0108275000000000, 0.0015876900000000 ] - [ 0.0013569500000000, 0.0000555600000000, 0.0000905000000000 ] - [ -0.0013744200000000, 0.0000392400000000, -0.0006988400000000 ] - [ 0.0010485500000000, 0.0000245600000000, 0.0003284000000000 ] - [ 0.0046866200000000, 0.0042565100000000, 0.0109415500000000 ] - [ 0.0012350600000000, 0.0001261300000000, -0.0000407600000000 ] - [ -0.0008461600000000, 0.0012190100000000, 0.0016847000000000 ] - [ 0.0003817300000000, 0.0000992700000000, 0.0000282100000000 ] - [ -0.0003221700000000, -0.0002225300000000, -0.0004845200000000 ] - [ 0.0006266600000000, 0.0001784300000000, 0.0001558900000000 ] - [ 0.0028437100000000, -0.0031671400000000, -0.0017195600000000 ] - [ 0.0014573800000000, 0.0001735200000000, 0.0003000900000000 ] - [ -0.0001574800000000, 0.0010804400000000, 0.0010332700000000 ] - [ 0.0007602000000000, 0.0000842600000000, 0.0000233000000000 ] - [ 0.0030789000000000, -0.0009911200000000, -0.0031475400000000 ] - [ 0.0016307100000000, 0.0002956100000000, 0.0000678000000000 ]- atom: 83 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ -0.0013220000000000, 0.0000479100000000, 0.0001273600000000 ] - [ 0.0003604500000000, 0.0001672400000000, 0.0000613000000000 ] - [ -0.0007266800000000, -0.0001156600000000, 0.0002753900000000 ] - [ 0.0005327300000000, 0.0003081400000000, -0.0000475500000000 ] - [ 0.0024156400000000, -0.0010338600000000, -0.0012084700000000 ] - [ 0.0004961100000000, -0.0000941800000000, -0.0003092800000000 ] - [ 0.0004523900000000, -0.0003763900000000, 0.0003364200000000 ] - [ 0.0006643000000000, 0.0002084200000000, 0.0000188900000000 ] - [ 0.0008833300000000, 0.0004059400000000, -0.0008601700000000 ] - [ 0.0010909400000000, 0.0000275100000000, -0.0000174300000000 ] - [ 0.0006351700000000, 0.0000164200000000, -0.0001095500000000 ] - [ -0.0001271600000000, 0.0000601200000000, 0.0005373100000000 ] - [ 0.0049077200000000, -0.0025130700000000, -0.0020050900000000 ] - [ 0.0012963500000000, 0.0000454100000000, 0.0000645100000000 ] - [ -0.0230713100000000, -0.0165082000000000, -0.0176559300000000 ] - [ 0.0010354600000000, -0.0000685400000000, -0.0001644800000000 ] - [ -0.0020425100000000, 0.0005084900000000, -0.0006378600000000 ] - [ 0.0010042100000000, -0.0001758300000000, 0.0001246000000000 ] - [ -0.0017045700000000, -0.0008823300000000, 0.0004325500000000 ] - [ 0.0010358800000000, 0.0002137600000000, -0.0000606700000000 ] - [ 0.0034316200000000, 0.0005896200000000, -0.0013914100000000 ] - [ 0.0041276200000000, 0.0004149100000000, 0.0004976000000000 ] - [ 0.0027847300000000, -0.0009882900000000, 0.0002284300000000 ] - [ 0.0036174100000000, 0.0007769300000000, -0.0005168400000000 ] - [ 0.0010639300000000, 0.0002462400000000, 0.0002889800000000 ] - [ 0.0008469100000000, 0.0005794500000000, -0.0010971900000000 ] - [ -0.0017917200000000, 0.0010340900000000, -0.0019584400000000 ] - [ 0.0024825000000000, -0.0005796300000000, -0.0007807400000000 ] - [ -0.0024407500000000, -0.0030814900000000, 0.0029273500000000 ] - [ 0.0018345500000000, 0.0001963500000000, 0.0000487600000000 ] - [ -0.0034559700000000, -0.0005214100000000, -0.0006982600000000 ] - [ 0.0020723600000000, -0.0007492100000000, -0.0004990200000000 ] - [ -0.0040317900000000, 0.0014046700000000, -0.0001277800000000 ] - [ 0.0020344700000000, -0.0008080100000000, 0.0005173500000000 ] - [ -0.0183428800000000, -0.0003564900000000, 0.0007696300000000 ] - [ 0.0021043600000000, 0.0000303900000000, -0.0002700300000000 ] - [ -0.0227958100000000, 0.0021018600000000, -0.0022253300000000 ] - [ 0.0023451100000000, -0.0005191700000000, 0.0006713600000000 ] - [ -0.0022011300000000, -0.0024117500000000, -0.0035265600000000 ] - [ 0.0020818000000000, 0.0007916500000000, 0.0011090100000000 ] - [ -0.0015164100000000, 0.0011471400000000, 0.0006939900000000 ] - [ 0.0015675900000000, -0.0000072400000000, 0.0001032500000000 ] - [ -0.0006664400000000, 0.0049168900000000, 0.0038326900000000 ] - [ 0.0020413100000000, 0.0006092700000000, 0.0001845900000000 ] - [ -0.0009292400000000, -0.0005041900000000, -0.0000794000000000 ] - [ -0.0013748800000000, -0.0001490400000000, 0.0003509900000000 ] - [ -0.0003419400000000, 0.0002786100000000, 0.0003893900000000 ] - [ -0.0010200200000000, -0.0004272100000000, -0.0004280000000000 ] - [ -0.0001741700000000, -0.0002024000000000, -0.0003245600000000 ] - [ -0.0008425000000000, -0.0001701900000000, 0.0003781500000000 ] - [ -0.0004110500000000, 0.0003171200000000, -0.0002551700000000 ] - [ -0.0004560700000000, -0.0005442300000000, 0.0007924200000000 ] - [ -0.0015966000000000, 0.0005070100000000, 0.0003562900000000 ] - [ -0.0016333200000000, -0.0003444200000000, -0.0002150100000000 ] - [ -0.0011363900000000, -0.0004779200000000, 0.0001913200000000 ] - [ -0.0003107100000000, 0.0005985600000000, -0.0002292100000000 ] - [ -0.0011763700000000, 0.0002562400000000, 0.0000828500000000 ] - [ -0.0007239000000000, -0.0002801800000000, 0.0003773700000000 ] - [ -0.0016269600000000, 0.0000550300000000, 0.0006295200000000 ] - [ -0.0008030200000000, -0.0002677700000000, -0.0005226000000000 ] - [ -0.0000036600000000, -0.0000143000000000, 0.0011025900000000 ] - [ -0.0010443700000000, 0.0000705700000000, 0.0002971400000000 ] - [ -0.0032927200000000, 0.0013622500000000, -0.0041547800000000 ] - [ -0.0013103100000000, 0.0000209000000000, 0.0002050700000000 ] - [ -0.0031984100000000, -0.0046275700000000, -0.0001523600000000 ] - [ -0.0013887200000000, 0.0003717100000000, 0.0002402200000000 ] - [ 0.0006248200000000, 0.0010227800000000, -0.0008377600000000 ] - [ -0.0005802300000000, 0.0001899100000000, 0.0001419800000000 ] - [ 0.0010036600000000, 0.0010678300000000, -0.0006348200000000 ] - [ -0.0003415000000000, -0.0000107900000000, 0.0000922100000000 ] - [ -0.0037122100000000, 0.0003159500000000, 0.0126905800000000 ] - [ -0.0012235300000000, 0.0000045300000000, 0.0003096600000000 ] - [ -0.0031811000000000, 0.0110574700000000, -0.0016584800000000 ] - [ -0.0012109000000000, 0.0002245200000000, 0.0000072000000000 ] - [ 0.0024639600000000, -0.0017673400000000, -0.0003121200000000 ] - [ -0.0014474900000000, 0.0003649300000000, 0.0000843800000000 ] - [ 0.0030571800000000, -0.0031786600000000, 0.0000384000000000 ] - [ -0.0013735800000000, 0.0002557500000000, 0.0000871400000000 ] - [ 0.0004214600000000, -0.0006089600000000, -0.0018535900000000 ] - [ -0.0009746400000000, 0.0001174400000000, -0.0000633600000000 ] - [ 0.0050931700000000, -0.0002354200000000, 0.0010665900000000 ] - [ -0.0012134100000000, 0.0000457000000000, -0.0001772900000000 ] - [ 0.0702922200000000, 0.0266985600000000, 0.0281568700000000 ] - [ -0.0007169800000000, 0.0000896100000000, -0.0000613400000000 ] - [ 0.0028607400000000, 0.0003794500000000, -0.0008883600000000 ] - [ -0.0004168100000000, 0.0001633500000000, -0.0000512600000000 ] - [ 0.0016792900000000, -0.0007716200000000, 0.0000304200000000 ] - [ -0.0010797500000000, 0.0001294600000000, -0.0000027400000000 ] - [ 0.0072349200000000, -0.0019526900000000, -0.0018910600000000 ] - [ -0.0010571600000000, -0.0000468200000000, -0.0002386400000000 ] - [ 0.0034238500000000, 0.0001623100000000, 0.0004194100000000 ] - [ -0.0013837900000000, 0.0000769400000000, -0.0001409200000000 ] - [ -0.0029595300000000, -0.0105132200000000, -0.0017198000000000 ] - [ -0.0014647800000000, 0.0000908900000000, -0.0002279200000000 ] - [ 0.0015850700000000, -0.0000588900000000, 0.0006230100000000 ] - [ -0.0008215300000000, -0.0000466600000000, -0.0003956500000000 ] - [ -0.0044990900000000, -0.0044980400000000, -0.0109044200000000 ] - [ -0.0011312200000000, -0.0004063200000000, -0.0000843900000000 ] - [ 0.0007544500000000, -0.0011978100000000, -0.0017013200000000 ] - [ -0.0004585200000000, -0.0000805300000000, -0.0000537100000000 ] - [ 0.0005030600000000, 0.0001843600000000, 0.0004334800000000 ] - [ -0.0004377900000000, -0.0002147700000000, -0.0002017700000000 ] - [ -0.0026871800000000, 0.0030490000000000, 0.0016278300000000 ] - [ -0.0013220900000000, -0.0002530400000000, -0.0003786600000000 ] - [ 0.0001061400000000, -0.0012531800000000, -0.0008508000000000 ] - [ -0.0007983100000000, -0.0002609900000000, 0.0001546900000000 ] - [ -0.0031274700000000, 0.0010273300000000, 0.0029138400000000 ] - [ -0.0016978800000000, -0.0002490000000000, -0.0002630200000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007591900000000, -0.0007898700000000, -0.0011309900000000 ] - [ -0.0000982500000000, 0.0001663200000000, -0.0000296500000000 ] - [ -0.0007062800000000, -0.0025366000000000, 0.0017004400000000 ] - [ 0.0001797000000000, 0.0001330400000000, 0.0000867400000000 ] - [ 0.0033643300000000, 0.0068213500000000, -0.0006965200000000 ] - [ -0.0000990200000000, 0.0001647600000000, -0.0001076100000000 ] - [ 0.0007065900000000, 0.0002346100000000, 0.0000489100000000 ] - [ -0.0000190000000000, 0.0000573700000000, -0.0000671400000000 ] - [ -0.0026285700000000, -0.0018571800000000, 0.0022270400000000 ] - [ 0.0008699100000000, -0.0000088600000000, 0.0000718300000000 ] - [ 0.0002016600000000, -0.0003619100000000, -0.0001655100000000 ] - [ -0.0005482800000000, -0.0014457500000000, 0.0006521500000000 ] - [ 0.0004934200000000, 0.0032607600000000, -0.0017907800000000 ] - [ -0.0002868600000000, 0.0006017600000000, 0.0001093700000000 ] - [ 0.0119161000000000, 0.0210654900000000, 0.0160309900000000 ] - [ 0.0001828800000000, 0.0000423700000000, -0.0000032600000000 ] - [ -0.0011378300000000, 0.0042584600000000, 0.0019115300000000 ] - [ 0.0001306300000000, 0.0001215200000000, 0.0000501600000000 ] - [ 0.0003736400000000, -0.0087225100000000, -0.0009042500000000 ] - [ 0.0002064400000000, -0.0000845400000000, 0.0000030800000000 ] - [ 0.0017263000000000, 0.0018770200000000, -0.0001507700000000 ] - [ -0.0009809500000000, 0.0018431300000000, 0.0009867100000000 ] - [ 0.0036976200000000, -0.0005675800000000, 0.0010730300000000 ] - [ -0.0020802100000000, -0.0011006300000000, 0.0003988100000000 ] - [ -0.0010397700000000, -0.0024096300000000, -0.0002342100000000 ] - [ 0.0014957000000000, -0.0008797000000000, -0.0009963800000000 ] - [ -0.0031135100000000, 0.0041692000000000, 0.0030436200000000 ] - [ 0.0009004000000000, 0.0000808500000000, -0.0003243500000000 ] - [ 0.0082165000000000, 0.0037106700000000, 0.0067016400000000 ] - [ 0.0000148500000000, 0.0000980200000000, 0.0001496900000000 ] - [ 0.0111412300000000, -0.0121634400000000, -0.0011898900000000 ] - [ -0.0000409100000000, -0.0006358200000000, 0.0003036400000000 ] - [ -0.0007272600000000, -0.0044385500000000, 0.0035735600000000 ] - [ 0.0004025500000000, -0.0003078600000000, 0.0000985200000000 ] - [ 0.0013118600000000, 0.0227425100000000, 0.0166982200000000 ] - [ 0.0003738600000000, 0.0001072300000000, -0.0001880100000000 ] - [ 0.0056889500000000, 0.0320849100000000, -0.0020184500000000 ] - [ 0.0005256400000000, 0.0000178700000000, 0.0000851600000000 ] - [ 0.0059379600000000, -0.0024422400000000, -0.0030378500000000 ] - [ -0.0000044000000000, -0.0002270300000000, 0.0001287700000000 ] - [ 0.0009775000000000, -0.0041914900000000, -0.0012275800000000 ] - [ 0.0004957500000000, -0.0001857800000000, -0.0000171400000000 ] - [ -0.0071796500000000, 0.0054981900000000, -0.0080543600000000 ] - [ 0.0005863400000000, 0.0004111300000000, -0.0001300300000000 ] - [ 0.0021699200000000, 0.0008258000000000, 0.0006171900000000 ] - [ -0.0005305200000000, -0.0004349000000000, 0.0003787600000000 ] - [ -0.0015031300000000, -0.0002689000000000, 0.0001828400000000 ] - [ 0.0001982600000000, 0.0001213200000000, -0.0001307100000000 ] - [ -0.0001261000000000, 0.0003725100000000, 0.0004532100000000 ] - [ -0.0003985000000000, 0.0001376700000000, 0.0002984000000000 ] - [ -0.0004641000000000, 0.0010566700000000, -0.0006658500000000 ] - [ 0.0000314900000000, 0.0009183800000000, -0.0001135400000000 ] - [ -0.0002761300000000, -0.0009402700000000, -0.0001108200000000 ] - [ 0.0003939100000000, -0.0001398100000000, 0.0001102700000000 ] - [ 0.0005079000000000, -0.0009389000000000, -0.0005552500000000 ] - [ -0.0018126600000000, -0.0019367500000000, -0.0004954700000000 ] - [ 0.0003122000000000, 0.0014250600000000, -0.0000691800000000 ] - [ -0.0014755600000000, 0.0019192400000000, 0.0003197500000000 ] - [ -0.0006427200000000, -0.0001858800000000, 0.0002607300000000 ] - [ 0.0014660400000000, -0.0002110100000000, -0.0009618400000000 ] - [ -0.0018199000000000, 0.0008519300000000, 0.0019176300000000 ] - [ 0.0002415900000000, 0.0002144300000000, -0.0001430100000000 ] - [ 0.0018272400000000, -0.0036840200000000, 0.0004969700000000 ] - [ -0.0005476800000000, -0.0001964900000000, 0.0000255500000000 ] - [ 0.0043257800000000, 0.0104606000000000, -0.0007340300000000 ] - [ -0.0008365900000000, 0.0006018400000000, 0.0000859100000000 ] - [ -0.0014475800000000, 0.0021754300000000, -0.0014782600000000 ] - [ -0.0001320000000000, 0.0002607700000000, -0.0000239200000000 ] - [ -0.0007778000000000, -0.0035515100000000, -0.0030749400000000 ] - [ 0.0000294200000000, -0.0001790400000000, -0.0000541000000000 ] - [ 0.0044321000000000, -0.0040321700000000, -0.0038418900000000 ] - [ -0.0001076300000000, -0.0002096800000000, 0.0001676600000000 ] - [ -0.0122655000000000, 0.0074016600000000, -0.0019749300000000 ] - [ -0.0001279500000000, 0.0000839800000000, -0.0000555600000000 ] - [ 0.0023636800000000, -0.0001777600000000, -0.0003256500000000 ] - [ -0.0004120200000000, 0.0000154500000000, 0.0000405300000000 ] - [ -0.0076850000000000, 0.0237545300000000, 0.0021306100000000 ] - [ -0.0001649200000000, 0.0001331500000000, 0.0000556200000000 ] - [ 0.0014354700000000, 0.0008415800000000, -0.0064262000000000 ] - [ -0.0001814900000000, -0.0000677800000000, -0.0000402300000000 ] - [ -0.0041370700000000, 0.0058993600000000, -0.0146991800000000 ] - [ -0.0002195400000000, -0.0000868400000000, -0.0000301800000000 ] - [ -0.0261745100000000, -0.1392106900000000, -0.0292022200000000 ] - [ -0.0002000200000000, -0.0000850600000000, -0.0000094800000000 ] - [ -0.0008589700000000, 0.0078852300000000, -0.0132086200000000 ] - [ -0.0000369600000000, 0.0000393500000000, 0.0000140000000000 ] - [ -0.0007229100000000, 0.0040722800000000, -0.0000722200000000 ] - [ -0.0002926700000000, 0.0000272500000000, 0.0000819000000000 ] - [ 0.0049736300000000, 0.0092132600000000, 0.0251517500000000 ] - [ -0.0003245100000000, -0.0001003000000000, -0.0000160000000000 ] - [ -0.0032680700000000, 0.0048087000000000, 0.0044039500000000 ] - [ -0.0001282700000000, 0.0001198200000000, 0.0000841000000000 ] - [ 0.0167521900000000, 0.0060233500000000, 0.0042782000000000 ] - [ -0.0004063500000000, -0.0000074500000000, -0.0000783700000000 ] - [ -0.0015041900000000, 0.0017277700000000, 0.0006250900000000 ] - [ 0.0000004100000000, 0.0001631200000000, -0.0000311800000000 ] - [ -0.0049569100000000, -0.0088862100000000, -0.0022851700000000 ] - [ -0.0000780600000000, -0.0003735200000000, -0.0000468800000000 ] - [ 0.0008077700000000, 0.0011742900000000, 0.0015131400000000 ] - [ -0.0001396100000000, -0.0000557100000000, 0.0000163800000000 ] - [ 0.0003004600000000, 0.0031060100000000, -0.0004215800000000 ] - [ -0.0001038000000000, 0.0001658000000000, -0.0000424700000000 ] - [ -0.0061574000000000, 0.0039133000000000, 0.0014604200000000 ] - [ 0.0001196400000000, 0.0002028800000000, -0.0000916300000000 ] - [ 0.0008875400000000, 0.0018245900000000, 0.0019053900000000 ] - [ -0.0004548800000000, -0.0000992100000000, 0.0001821800000000 ] - [ -0.0019590400000000, -0.0020199800000000, 0.0007332800000000 ] - [ 0.0000958100000000, -0.0000700900000000, -0.0001497300000000 ]- atom: 83 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010265200000000, 0.0011151900000000, 0.0011161200000000 ] - [ -0.0001790500000000, 0.0001589600000000, 0.0000259200000000 ] - [ 0.0008964200000000, 0.0027772000000000, -0.0014517800000000 ] - [ 0.0000172600000000, 0.0001253000000000, 0.0001393000000000 ] - [ -0.0034481800000000, -0.0065498600000000, 0.0004470600000000 ] - [ -0.0000984800000000, 0.0000942100000000, -0.0001186700000000 ] - [ -0.0004171500000000, 0.0000766600000000, -0.0000412200000000 ] - [ 0.0002924300000000, 0.0002631900000000, 0.0000690100000000 ] - [ 0.0027685400000000, 0.0018652600000000, -0.0022018700000000 ] - [ -0.0006847300000000, 0.0000348200000000, -0.0000716900000000 ] - [ -0.0003843500000000, 0.0003074100000000, 0.0002624200000000 ] - [ 0.0003640100000000, 0.0013784500000000, -0.0005457800000000 ] - [ -0.0003608100000000, -0.0032512200000000, 0.0016742700000000 ] - [ 0.0004701800000000, -0.0006454600000000, -0.0002097700000000 ] - [ -0.0129132900000000, -0.0216788900000000, -0.0170226300000000 ] - [ -0.0003606900000000, -0.0000201200000000, 0.0000076400000000 ] - [ 0.0011203700000000, -0.0041555600000000, -0.0017965000000000 ] - [ -0.0001583400000000, -0.0000852000000000, 0.0000522200000000 ] - [ -0.0003935600000000, 0.0087314500000000, 0.0007526500000000 ] - [ -0.0001795300000000, 0.0001159200000000, -0.0001048000000000 ] - [ -0.0014294700000000, -0.0017792900000000, 0.0001175600000000 ] - [ 0.0011988600000000, -0.0017482800000000, -0.0009929500000000 ] - [ -0.0036623200000000, 0.0003713800000000, -0.0011525400000000 ] - [ 0.0021236500000000, 0.0008833900000000, -0.0004752200000000 ] - [ 0.0005376800000000, 0.0022550000000000, 0.0001526800000000 ] - [ -0.0019548000000000, 0.0007390400000000, 0.0009002200000000 ] - [ 0.0035164500000000, -0.0042812000000000, -0.0028969400000000 ] - [ -0.0003988000000000, -0.0002201100000000, 0.0003955400000000 ] - [ -0.0081595700000000, -0.0037973600000000, -0.0065383000000000 ] - [ -0.0000463300000000, -0.0002752700000000, -0.0000601600000000 ] - [ -0.0112432000000000, 0.0121898700000000, 0.0012148300000000 ] - [ -0.0002300400000000, 0.0007190900000000, -0.0002619400000000 ] - [ 0.0007752400000000, 0.0042029000000000, -0.0033659700000000 ] - [ -0.0003684000000000, 0.0001878300000000, 0.0001093300000000 ] - [ -0.0011963200000000, -0.0226643500000000, -0.0168836100000000 ] - [ -0.0002679000000000, -0.0001161600000000, -0.0000782000000000 ] - [ -0.0051990300000000, -0.0279391500000000, 0.0014364000000000 ] - [ -0.0002440400000000, 0.0000399300000000, -0.0002511100000000 ] - [ -0.0062164500000000, 0.0024427600000000, 0.0032119600000000 ] - [ -0.0002751400000000, 0.0002716300000000, 0.0000442000000000 ] - [ -0.0010812100000000, 0.0041674000000000, 0.0014893000000000 ] - [ -0.0005935900000000, 0.0001779300000000, 0.0002796500000000 ] - [ 0.0070995800000000, -0.0054441600000000, 0.0077537100000000 ] - [ -0.0006125900000000, -0.0005216600000000, -0.0000767500000000 ] - [ -0.0020179100000000, -0.0009711600000000, -0.0005096900000000 ] - [ 0.0006687600000000, 0.0002780400000000, -0.0002809700000000 ] - [ 0.0015978600000000, 0.0003341400000000, -0.0002549100000000 ] - [ -0.0000993500000000, -0.0000531200000000, 0.0000539200000000 ] - [ -0.0000223700000000, -0.0005967300000000, -0.0004968000000000 ] - [ 0.0002418900000000, -0.0003631500000000, -0.0003386600000000 ] - [ 0.0003485600000000, -0.0010842200000000, 0.0008037000000000 ] - [ -0.0001444600000000, -0.0009434400000000, 0.0002556400000000 ] - [ 0.0003728700000000, 0.0012454900000000, 0.0001192200000000 ] - [ -0.0002777800000000, 0.0004581300000000, -0.0001058100000000 ] - [ -0.0003718500000000, 0.0008978000000000, 0.0004374200000000 ] - [ 0.0019256400000000, 0.0018788200000000, 0.0003755100000000 ] - [ -0.0001694500000000, -0.0012781000000000, 0.0002218200000000 ] - [ 0.0015748000000000, -0.0017695800000000, -0.0001645500000000 ] - [ 0.0006346600000000, 0.0002123700000000, -0.0003936300000000 ] - [ -0.0014204700000000, 0.0002402100000000, 0.0008111200000000 ] - [ 0.0017842000000000, -0.0008236500000000, -0.0017505300000000 ] - [ -0.0002411000000000, -0.0001869900000000, 0.0002742500000000 ] - [ -0.0018978000000000, 0.0037845400000000, -0.0006257600000000 ] - [ 0.0004080800000000, 0.0003298200000000, -0.0001766500000000 ] - [ -0.0044993900000000, -0.0104301700000000, 0.0008358600000000 ] - [ 0.0007049700000000, -0.0006269400000000, 0.0000234300000000 ] - [ 0.0013228100000000, -0.0018689000000000, 0.0014415500000000 ] - [ 0.0000264600000000, 0.0000449000000000, 0.0000134000000000 ] - [ 0.0008826800000000, 0.0034563000000000, 0.0028886300000000 ] - [ 0.0000833200000000, 0.0001383300000000, -0.0000876400000000 ] - [ -0.0041468400000000, 0.0037912100000000, 0.0037400700000000 ] - [ 0.0002573600000000, -0.0000185300000000, -0.0001178500000000 ] - [ 0.0119727500000000, -0.0073253600000000, 0.0020197200000000 ] - [ 0.0000299400000000, -0.0000274200000000, 0.0001239200000000 ] - [ -0.0025086700000000, 0.0000666100000000, 0.0002269800000000 ] - [ 0.0002653800000000, -0.0001567000000000, -0.0001340700000000 ] - [ 0.0076175800000000, -0.0233211500000000, -0.0019016800000000 ] - [ 0.0002200200000000, -0.0001004400000000, 0.0001376700000000 ] - [ -0.0013756800000000, -0.0010344300000000, 0.0059713100000000 ] - [ 0.0002080900000000, -0.0001192300000000, -0.0001540800000000 ] - [ 0.0039368700000000, -0.0059599200000000, 0.0145200800000000 ] - [ 0.0000751900000000, 0.0000046300000000, 0.0001292900000000 ] - [ 0.0264386800000000, 0.1349888500000000, 0.0307317000000000 ] - [ 0.0000110200000000, 0.0000596200000000, 0.0000746300000000 ] - [ 0.0009402400000000, -0.0078533100000000, 0.0134027000000000 ] - [ 0.0001086100000000, 0.0000030000000000, 0.0000205100000000 ] - [ 0.0006332000000000, -0.0042913300000000, 0.0001941600000000 ] - [ 0.0002069200000000, -0.0002779800000000, 0.0000422400000000 ] - [ -0.0051305900000000, -0.0091565800000000, -0.0246398500000000 ] - [ 0.0001107900000000, 0.0000603500000000, 0.0000619300000000 ] - [ 0.0033938500000000, -0.0046303500000000, -0.0043107500000000 ] - [ 0.0002553600000000, 0.0000292100000000, 0.0000464300000000 ] - [ -0.0165377400000000, -0.0058422500000000, -0.0043479700000000 ] - [ 0.0002751100000000, 0.0001538600000000, -0.0000531800000000 ] - [ 0.0017119600000000, -0.0017456900000000, -0.0006799300000000 ] - [ 0.0002115300000000, -0.0001978000000000, -0.0000157500000000 ] - [ 0.0048724500000000, 0.0084938500000000, 0.0020424500000000 ] - [ 0.0001621500000000, 0.0001181000000000, -0.0000758500000000 ] - [ -0.0008685100000000, -0.0011502700000000, -0.0015438000000000 ] - [ 0.0000687100000000, 0.0000924100000000, -0.0000513600000000 ] - [ -0.0001049000000000, -0.0031047500000000, 0.0003453400000000 ] - [ 0.0002907400000000, -0.0001877000000000, -0.0000229400000000 ] - [ 0.0063337100000000, -0.0039779200000000, -0.0015642700000000 ] - [ 0.0000203300000000, -0.0002797700000000, -0.0000141400000000 ] - [ -0.0009020800000000, -0.0020095500000000, -0.0016905600000000 ] - [ 0.0004194000000000, -0.0000900900000000, 0.0000139700000000 ] - [ 0.0018537700000000, 0.0020670700000000, -0.0009042400000000 ] - [ -0.0001391200000000, 0.0001082100000000, -0.0000463000000000 ]- atom: 83 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ 0.0014825200000000, -0.0006771500000000, -0.0006432300000000 ] - [ -0.0003035600000000, 0.0001950200000000, -0.0000757600000000 ] - [ 0.0006562100000000, 0.0012356400000000, -0.0007992100000000 ] - [ 0.0000179200000000, 0.0000932800000000, 0.0001339300000000 ] - [ 0.0049533300000000, -0.0008223100000000, 0.0059793400000000 ] - [ -0.0002120900000000, 0.0001811500000000, -0.0000347800000000 ] - [ -0.0013268900000000, 0.0011607800000000, -0.0007929300000000 ] - [ 0.0004656600000000, 0.0004004300000000, 0.0001320000000000 ] - [ 0.0012707100000000, 0.0007133700000000, -0.0005354700000000 ] - [ -0.0004791600000000, -0.0000355700000000, -0.0000112000000000 ] - [ -0.0003183400000000, -0.0002743300000000, -0.0003563700000000 ] - [ 0.0003512000000000, 0.0008709300000000, -0.0013215900000000 ] - [ 0.0004913400000000, -0.0016833800000000, 0.0040416200000000 ] - [ -0.0006380500000000, 0.0002855800000000, 0.0006461400000000 ] - [ 0.0134222900000000, 0.0151278700000000, 0.0208436900000000 ] - [ -0.0001792300000000, -0.0000251100000000, 0.0001004100000000 ] - [ 0.0003470200000000, -0.0014363400000000, -0.0090236100000000 ] - [ -0.0001134900000000, 0.0000438000000000, -0.0000685300000000 ] - [ -0.0004843900000000, 0.0016891400000000, 0.0045478200000000 ] - [ -0.0002275600000000, -0.0000322300000000, 0.0000411200000000 ] - [ 0.0034512800000000, 0.0003906400000000, -0.0008903700000000 ] - [ -0.0027137600000000, -0.0012186000000000, -0.0027140700000000 ] - [ 0.0009753900000000, -0.0003929800000000, 0.0017004900000000 ] - [ -0.0022085100000000, 0.0008351000000000, 0.0008775100000000 ] - [ -0.0018947300000000, -0.0015420300000000, 0.0009942400000000 ] - [ -0.0006546500000000, -0.0003050900000000, 0.0009858900000000 ] - [ 0.0115278200000000, -0.0031189500000000, -0.0131957100000000 ] - [ -0.0000845200000000, 0.0000072900000000, -0.0002975700000000 ] - [ -0.0074098000000000, 0.0015246000000000, -0.0068388000000000 ] - [ 0.0001221300000000, 0.0002274300000000, -0.0000337800000000 ] - [ -0.0031465200000000, 0.0014121500000000, 0.0027556300000000 ] - [ -0.0004895000000000, -0.0001004100000000, 0.0007898400000000 ] - [ -0.0010932900000000, 0.0091732600000000, -0.0126790000000000 ] - [ -0.0002888400000000, 0.0000301100000000, -0.0000809300000000 ] - [ 0.0041174400000000, -0.0031286800000000, 0.0685793700000000 ] - [ -0.0002297500000000, 0.0000307000000000, -0.0000837000000000 ] - [ 0.0023703700000000, 0.0224607000000000, 0.0283017400000000 ] - [ -0.0002957400000000, 0.0001473200000000, -0.0000301800000000 ] - [ 0.0032984700000000, -0.0039141600000000, -0.0042352100000000 ] - [ -0.0005522400000000, -0.0000586400000000, -0.0004387400000000 ] - [ -0.0017028800000000, -0.0013316000000000, -0.0029592900000000 ] - [ -0.0002385000000000, -0.0000541400000000, -0.0000336500000000 ] - [ -0.0070606900000000, -0.0107670900000000, 0.0048679600000000 ] - [ 0.0000046800000000, -0.0002876200000000, -0.0000273300000000 ] - [ 0.0028317800000000, 0.0013731200000000, -0.0010827000000000 ] - [ -0.0001374100000000, 0.0005766700000000, -0.0002560100000000 ] - [ -0.0006958900000000, 0.0005312300000000, -0.0000168900000000 ] - [ 0.0003811100000000, -0.0000546700000000, 0.0004575400000000 ] - [ 0.0007765400000000, 0.0001272700000000, 0.0001348500000000 ] - [ -0.0001107200000000, -0.0002496700000000, -0.0001767600000000 ] - [ 0.0004112700000000, 0.0002950400000000, -0.0011728000000000 ] - [ -0.0001586800000000, -0.0003284700000000, -0.0008468900000000 ] - [ -0.0002925300000000, 0.0002316300000000, -0.0009394500000000 ] - [ 0.0004384700000000, -0.0001480200000000, -0.0003056400000000 ] - [ -0.0003865400000000, -0.0004336400000000, 0.0000906000000000 ] - [ 0.0016101100000000, 0.0005674100000000, 0.0001463700000000 ] - [ -0.0001522800000000, 0.0002788700000000, -0.0006241100000000 ] - [ 0.0013493600000000, -0.0001327900000000, -0.0005254000000000 ] - [ 0.0002788700000000, 0.0000508200000000, 0.0012822500000000 ] - [ -0.0032198400000000, 0.0001140900000000, 0.0035717300000000 ] - [ -0.0000394300000000, 0.0000969200000000, -0.0021794700000000 ] - [ 0.0009192800000000, 0.0001182100000000, -0.0005573000000000 ] - [ 0.0055533600000000, -0.0003850800000000, 0.0090760300000000 ] - [ -0.0005760600000000, 0.0000005200000000, 0.0001130100000000 ] - [ 0.0032212000000000, 0.0011874100000000, -0.0013098400000000 ] - [ -0.0001416000000000, 0.0002233600000000, -0.0000478600000000 ] - [ 0.0011374000000000, -0.0012912100000000, 0.0007632200000000 ] - [ 0.0000117500000000, 0.0000394700000000, -0.0001000900000000 ] - [ -0.0007775700000000, 0.0032135800000000, 0.0051857000000000 ] - [ 0.0001462800000000, -0.0000793400000000, 0.0001327800000000 ] - [ -0.0157445700000000, 0.0015981800000000, 0.0104945800000000 ] - [ 0.0004101300000000, -0.0002183600000000, 0.0000961600000000 ] - [ 0.0044235600000000, -0.0041048600000000, -0.0015421500000000 ] - [ 0.0001812900000000, -0.0000612500000000, -0.0001583600000000 ] - [ -0.0025992300000000, -0.0016170300000000, 0.0019134000000000 ] - [ 0.0001542800000000, -0.0000625500000000, 0.0000276500000000 ] - [ 0.0016129700000000, -0.0067268700000000, -0.0008006000000000 ] - [ 0.0003155900000000, -0.0000085200000000, 0.0000257400000000 ] - [ -0.0039998400000000, -0.0018640500000000, 0.0271271200000000 ] - [ 0.0001206900000000, -0.0001050500000000, -0.0000057400000000 ] - [ 0.0034621000000000, -0.0131547600000000, 0.0091338900000000 ] - [ 0.0000295300000000, -0.0000906200000000, -0.0000132600000000 ] - [ -0.0268567400000000, -0.0290570700000000, -0.1831930200000000 ] - [ -0.0000118200000000, -0.0000505800000000, -0.0000512100000000 ] - [ 0.0011624200000000, -0.0151254300000000, 0.0095531200000000 ] - [ 0.0001216000000000, -0.0000293500000000, 0.0000377900000000 ] - [ 0.0008294200000000, -0.0025414900000000, 0.0023396500000000 ] - [ 0.0001138000000000, -0.0001665300000000, 0.0001081400000000 ] - [ 0.0036134200000000, 0.0249535600000000, 0.0056098000000000 ] - [ 0.0000197300000000, -0.0000059900000000, -0.0000009100000000 ] - [ -0.0019475300000000, 0.0046641900000000, 0.0101494100000000 ] - [ 0.0003296500000000, 0.0001071600000000, 0.0001972300000000 ] - [ -0.0066505800000000, -0.0037218600000000, -0.0070264600000000 ] - [ 0.0002536900000000, 0.0001147900000000, -0.0001995500000000 ] - [ 0.0016495800000000, -0.0004452200000000, 0.0035437300000000 ] - [ 0.0001803900000000, -0.0000539700000000, 0.0001672400000000 ] - [ 0.0161233000000000, 0.0082266400000000, 0.0049656700000000 ] - [ 0.0000689100000000, -0.0000778100000000, -0.0001391900000000 ] - [ 0.0006873200000000, 0.0019547600000000, 0.0026860000000000 ] - [ -0.0000202300000000, 0.0001171300000000, 0.0000638900000000 ] - [ -0.0003593800000000, 0.0003697100000000, 0.0023526800000000 ] - [ 0.0002701900000000, -0.0000007000000000, 0.0001721400000000 ] - [ -0.0021404700000000, 0.0013535800000000, -0.0007950900000000 ] - [ 0.0006044100000000, -0.0000522300000000, 0.0001738400000000 ] - [ 0.0011424200000000, 0.0011043500000000, -0.0003579300000000 ] - [ 0.0001221900000000, 0.0000432100000000, 0.0000176100000000 ] - [ -0.0055229300000000, 0.0016425700000000, 0.0041738300000000 ] - [ 0.0004934100000000, 0.0001397200000000, 0.0002225900000000 ]- atom: 83 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ -0.0017450500000000, 0.0009922900000000, 0.0006449600000000 ] - [ 0.0000268000000000, 0.0001232000000000, 0.0000681000000000 ] - [ -0.0004575200000000, -0.0009689400000000, 0.0009979900000000 ] - [ 0.0001757500000000, 0.0001654100000000, 0.0000918900000000 ] - [ -0.0050169000000000, 0.0010507400000000, -0.0062190500000000 ] - [ 0.0000151100000000, 0.0000787400000000, -0.0001915000000000 ] - [ 0.0015852500000000, -0.0008322400000000, 0.0008001100000000 ] - [ -0.0001855000000000, -0.0000769100000000, -0.0001172200000000 ] - [ -0.0010629900000000, -0.0006765200000000, 0.0005043000000000 ] - [ 0.0006524700000000, 0.0000522500000000, 0.0000028900000000 ] - [ 0.0001319500000000, 0.0002222100000000, 0.0004518400000000 ] - [ -0.0005207100000000, -0.0009081100000000, 0.0014038500000000 ] - [ -0.0003610600000000, 0.0016230800000000, -0.0040758100000000 ] - [ 0.0008185500000000, -0.0003364000000000, -0.0007376400000000 ] - [ -0.0145271400000000, -0.0161732000000000, -0.0216727800000000 ] - [ -0.0000044200000000, 0.0000491400000000, -0.0001005600000000 ] - [ -0.0004180100000000, 0.0014112100000000, 0.0090958000000000 ] - [ 0.0000856000000000, -0.0000119100000000, 0.0001672400000000 ] - [ 0.0005234500000000, -0.0016394100000000, -0.0045716700000000 ] - [ 0.0002500500000000, 0.0000647900000000, -0.0001365600000000 ] - [ -0.0031886400000000, -0.0003185200000000, 0.0008518500000000 ] - [ 0.0029948100000000, 0.0012943600000000, 0.0026381300000000 ] - [ -0.0009262100000000, 0.0002027700000000, -0.0017935500000000 ] - [ 0.0021855300000000, -0.0010016300000000, -0.0009779800000000 ] - [ 0.0013735200000000, 0.0013932900000000, -0.0010578100000000 ] - [ 0.0001243900000000, 0.0001592500000000, -0.0010423300000000 ] - [ -0.0108650500000000, 0.0029329800000000, 0.0131942000000000 ] - [ 0.0005863100000000, -0.0001513900000000, 0.0003820100000000 ] - [ 0.0073896900000000, -0.0017583900000000, 0.0068217700000000 ] - [ -0.0001541400000000, -0.0004205100000000, 0.0001376600000000 ] - [ 0.0027817900000000, -0.0012895800000000, -0.0027134800000000 ] - [ 0.0002208200000000, 0.0001799800000000, -0.0007598700000000 ] - [ 0.0011139700000000, -0.0091187300000000, 0.0127907600000000 ] - [ 0.0003230300000000, -0.0001186400000000, 0.0002939800000000 ] - [ -0.0038967300000000, 0.0024481300000000, -0.0627778000000000 ] - [ 0.0003257500000000, -0.0000390300000000, -0.0001723300000000 ] - [ -0.0021011300000000, -0.0220939400000000, -0.0284315400000000 ] - [ 0.0005702300000000, -0.0000909900000000, -0.0001396700000000 ] - [ -0.0036078400000000, 0.0039748400000000, 0.0043209000000000 ] - [ 0.0002722800000000, 0.0001213900000000, 0.0005976600000000 ] - [ 0.0015608200000000, 0.0013332900000000, 0.0032095400000000 ] - [ 0.0001341000000000, 0.0000477600000000, 0.0002965600000000 ] - [ 0.0070112800000000, 0.0105778100000000, -0.0049514500000000 ] - [ -0.0000463600000000, 0.0001874300000000, -0.0001823100000000 ] - [ -0.0026574500000000, -0.0015229600000000, 0.0011567300000000 ] - [ 0.0003007300000000, -0.0007241700000000, 0.0003375100000000 ] - [ 0.0008195000000000, -0.0004871100000000, -0.0000548700000000 ] - [ -0.0002615000000000, 0.0000913500000000, -0.0005254300000000 ] - [ -0.0008980500000000, -0.0003489900000000, -0.0001755800000000 ] - [ -0.0000258100000000, 0.0000246300000000, 0.0001332800000000 ] - [ -0.0005258100000000, -0.0003157300000000, 0.0013179900000000 ] - [ 0.0000401500000000, 0.0003019100000000, 0.0009948700000000 ] - [ 0.0003866800000000, 0.0000913300000000, 0.0009597800000000 ] - [ -0.0003237400000000, 0.0004590400000000, 0.0003335700000000 ] - [ 0.0005054300000000, 0.0004239200000000, -0.0001904700000000 ] - [ -0.0014853600000000, -0.0005690000000000, -0.0002400400000000 ] - [ 0.0002725100000000, -0.0001492600000000, 0.0007628600000000 ] - [ -0.0011875600000000, 0.0002589800000000, 0.0006651000000000 ] - [ -0.0002866300000000, -0.0000301300000000, -0.0014224300000000 ] - [ 0.0031516100000000, -0.0000965900000000, -0.0036809000000000 ] - [ 0.0000713300000000, -0.0000780800000000, 0.0022842500000000 ] - [ -0.0008956600000000, -0.0000981500000000, 0.0006975200000000 ] - [ -0.0057196700000000, 0.0005256200000000, -0.0091763400000000 ] - [ 0.0004518600000000, 0.0001293100000000, -0.0002557200000000 ] - [ -0.0032718200000000, -0.0011821400000000, 0.0014306300000000 ] - [ 0.0000131400000000, -0.0002412600000000, 0.0001565200000000 ] - [ -0.0012432400000000, 0.0016246800000000, -0.0007338500000000 ] - [ -0.0001157700000000, 0.0002852300000000, 0.0000855000000000 ] - [ 0.0008843900000000, -0.0031926200000000, -0.0052992700000000 ] - [ -0.0000247800000000, 0.0000594300000000, -0.0002958200000000 ] - [ 0.0156365800000000, -0.0017861300000000, -0.0104351100000000 ] - [ -0.0002672600000000, -0.0000043300000000, -0.0000675200000000 ] - [ -0.0044277400000000, 0.0040368900000000, 0.0016829700000000 ] - [ -0.0002962700000000, 0.0001074500000000, 0.0002429200000000 ] - [ 0.0023891500000000, 0.0014389400000000, -0.0019829700000000 ] - [ -0.0003167700000000, -0.0000980300000000, -0.0001146200000000 ] - [ -0.0014860800000000, 0.0065618600000000, 0.0009307300000000 ] - [ -0.0002504100000000, 0.0000511700000000, 0.0001685800000000 ] - [ 0.0039728000000000, 0.0016650200000000, -0.0268244100000000 ] - [ -0.0000785400000000, -0.0000702900000000, -0.0001784500000000 ] - [ -0.0036200300000000, 0.0132542000000000, -0.0090945200000000 ] - [ -0.0001616900000000, 0.0000116800000000, 0.0000974700000000 ] - [ 0.0274035100000000, 0.0305117300000000, 0.1774287300000000 ] - [ -0.0001746500000000, 0.0000187700000000, 0.0001023700000000 ] - [ -0.0010599800000000, 0.0148759900000000, -0.0094710400000000 ] - [ -0.0000422500000000, 0.0000561600000000, -0.0000161800000000 ] - [ -0.0009090900000000, 0.0022039500000000, -0.0022001100000000 ] - [ -0.0002131100000000, -0.0001196300000000, 0.0000172800000000 ] - [ -0.0038161500000000, -0.0245950700000000, -0.0055758500000000 ] - [ -0.0002372200000000, -0.0000187500000000, 0.0000647400000000 ] - [ 0.0020682000000000, -0.0045633900000000, -0.0099510400000000 ] - [ -0.0002185200000000, 0.0000381500000000, -0.0000548700000000 ] - [ 0.0063776100000000, 0.0037530300000000, 0.0068401500000000 ] - [ -0.0003623000000000, 0.0000329100000000, 0.0000630500000000 ] - [ -0.0013953800000000, 0.0004068400000000, -0.0035757600000000 ] - [ 0.0000435200000000, 0.0000278700000000, -0.0002306600000000 ] - [ -0.0157559600000000, -0.0084022200000000, -0.0051020600000000 ] - [ 0.0000322400000000, -0.0001986400000000, 0.0000126200000000 ] - [ -0.0007512400000000, -0.0019223100000000, -0.0027160800000000 ] - [ -0.0000559300000000, -0.0000927500000000, -0.0000930400000000 ] - [ 0.0005515400000000, -0.0004149800000000, -0.0023696900000000 ] - [ -0.0000806000000000, -0.0000340100000000, -0.0002183600000000 ] - [ 0.0022370800000000, -0.0014053000000000, 0.0007508500000000 ] - [ -0.0004558600000000, -0.0000283300000000, -0.0002451800000000 ] - [ -0.0011733400000000, -0.0012843200000000, 0.0005116700000000 ] - [ -0.0001558200000000, -0.0002195300000000, 0.0001595600000000 ] - [ 0.0054952300000000, -0.0015960700000000, -0.0043518200000000 ] - [ -0.0005676800000000, -0.0000991600000000, -0.0004108100000000 ]- atom: 85 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ 0.0003866900000000, -0.0000918800000000, 0.0001386900000000 ] - [ -0.0005692300000000, 0.0001925800000000, -0.0001032800000000 ] - [ 0.0006997500000000, 0.0001927300000000, 0.0001351000000000 ] - [ -0.0002444900000000, -0.0000000500000000, 0.0002544000000000 ] - [ 0.0001473100000000, -0.0008780100000000, 0.0008088000000000 ] - [ -0.0004467000000000, 0.0002762500000000, -0.0000048500000000 ] - [ -0.0024553800000000, -0.0009330800000000, -0.0014565500000000 ] - [ -0.0003666900000000, 0.0001747500000000, -0.0000174500000000 ] - [ 0.0002017300000000, 0.0004993800000000, 0.0001086100000000 ] - [ -0.0005309600000000, -0.0000756300000000, 0.0000646700000000 ] - [ -0.0008410200000000, -0.0000540000000000, 0.0000480400000000 ] - [ -0.0008429900000000, -0.0006378600000000, 0.0003996200000000 ] - [ -0.0005114700000000, 0.0005011300000000, -0.0007318100000000 ] - [ -0.0006827100000000, -0.0000424900000000, 0.0000128500000000 ] - [ 0.0008986800000000, 0.0002711200000000, -0.0006501500000000 ] - [ -0.0009233900000000, -0.0000352900000000, 0.0001823000000000 ] - [ 0.0018440600000000, 0.0001743600000000, -0.0001175000000000 ] - [ -0.0007516700000000, 0.0001196200000000, 0.0000407300000000 ] - [ 0.0225224600000000, -0.0195248400000000, -0.0182498100000000 ] - [ -0.0008279900000000, -0.0001208700000000, -0.0001127900000000 ] - [ -0.0005157100000000, -0.0007416100000000, 0.0005874200000000 ] - [ -0.0011722700000000, 0.0001549800000000, 0.0006334900000000 ] - [ -0.0034187100000000, -0.0003922900000000, 0.0009901500000000 ] - [ -0.0020039900000000, -0.0000134300000000, -0.0004611600000000 ] - [ -0.0034677900000000, 0.0008199900000000, 0.0000667100000000 ] - [ -0.0024886300000000, -0.0008107400000000, 0.0004930000000000 ] - [ -0.0002504200000000, 0.0031166800000000, 0.0031522400000000 ] - [ -0.0012775000000000, 0.0002098000000000, 0.0004658800000000 ] - [ 0.0007195300000000, 0.0003149900000000, 0.0010539500000000 ] - [ -0.0011164400000000, -0.0000313800000000, 0.0000892400000000 ] - [ 0.0011600500000000, -0.0023034900000000, -0.0016205200000000 ] - [ -0.0019582100000000, 0.0008502100000000, 0.0007910600000000 ] - [ 0.0206632000000000, -0.0029592800000000, -0.0015894200000000 ] - [ -0.0015994500000000, 0.0005642600000000, -0.0002010900000000 ] - [ 0.0166909000000000, -0.0031377600000000, -0.0016096200000000 ] - [ -0.0015355100000000, -0.0000556200000000, -0.0000697100000000 ] - [ 0.0032885700000000, 0.0002839300000000, 0.0000039200000000 ] - [ -0.0015413400000000, 0.0005232000000000, -0.0006335300000000 ] - [ 0.0041023400000000, -0.0004029200000000, 0.0000190900000000 ] - [ -0.0018641500000000, -0.0003565700000000, -0.0005093100000000 ] - [ 0.0035656200000000, 0.0031909000000000, -0.0033320200000000 ] - [ -0.0016436900000000, 0.0000158300000000, 0.0003160100000000 ] - [ 0.0028359900000000, -0.0018087500000000, 0.0006754700000000 ] - [ -0.0017317200000000, -0.0006866700000000, -0.0004383900000000 ] - [ 0.0006943400000000, -0.0005737700000000, -0.0001950000000000 ] - [ 0.0013431200000000, 0.0002730000000000, 0.0000278300000000 ] - [ 0.0005667700000000, 0.0003468100000000, -0.0006014600000000 ] - [ 0.0010430800000000, 0.0001094200000000, 0.0000358300000000 ] - [ -0.0000024200000000, -0.0002396400000000, 0.0006086700000000 ] - [ 0.0009411300000000, 0.0000705600000000, -0.0004068400000000 ] - [ 0.0015072600000000, -0.0005149200000000, -0.0004988400000000 ] - [ 0.0004933200000000, 0.0001777500000000, 0.0001795600000000 ] - [ 0.0004755900000000, 0.0008195500000000, -0.0004557800000000 ] - [ 0.0004809500000000, 0.0000250700000000, 0.0001074900000000 ] - [ 0.0005305500000000, 0.0002159400000000, -0.0001056700000000 ] - [ 0.0003270200000000, -0.0002662100000000, -0.0001603500000000 ] - [ 0.0008690200000000, -0.0003485300000000, -0.0002635600000000 ] - [ 0.0003977900000000, 0.0003368900000000, 0.0001864500000000 ] - [ 0.0010109800000000, 0.0002018600000000, -0.0001608000000000 ] - [ 0.0010058400000000, -0.0001002200000000, -0.0006619500000000 ] - [ 0.0018154500000000, 0.0012209000000000, 0.0007486000000000 ] - [ 0.0013514200000000, -0.0001937500000000, -0.0003906900000000 ] - [ 0.0000834700000000, -0.0005701000000000, -0.0008800400000000 ] - [ 0.0005145200000000, 0.0001008600000000, -0.0002232100000000 ] - [ 0.0015872600000000, 0.0010051400000000, 0.0014210200000000 ] - [ 0.0011689900000000, -0.0003001400000000, -0.0001854300000000 ] - [ -0.0002886700000000, 0.0003856400000000, -0.0000235300000000 ] - [ 0.0003642000000000, -0.0000307400000000, -0.0002229200000000 ] - [ -0.0003524100000000, -0.0013139500000000, -0.0011574800000000 ] - [ 0.0003519200000000, -0.0000581800000000, -0.0001586100000000 ] - [ 0.0029788900000000, -0.0064062300000000, -0.0024928200000000 ] - [ 0.0010586700000000, -0.0001845500000000, -0.0001429700000000 ] - [ -0.0011697300000000, 0.0002107500000000, 0.0000153800000000 ] - [ 0.0007943000000000, -0.0002674900000000, -0.0000191300000000 ] - [ 0.0018546300000000, -0.0013233400000000, -0.0060039600000000 ] - [ 0.0010259800000000, -0.0003180000000000, -0.0001286000000000 ] - [ -0.0027529200000000, -0.0001601000000000, 0.0001056800000000 ] - [ 0.0012083700000000, -0.0002300900000000, 0.0000717000000000 ] - [ -0.0064157900000000, -0.0029915500000000, -0.0028797700000000 ] - [ 0.0007315900000000, -0.0002191700000000, -0.0000920000000000 ] - [ -0.0013231700000000, -0.0001692700000000, -0.0002559900000000 ] - [ 0.0007349700000000, -0.0001198500000000, 0.0001488200000000 ] - [ -0.0029169900000000, -0.0009289200000000, 0.0011307000000000 ] - [ 0.0003635800000000, -0.0000919600000000, 0.0001099300000000 ] - [ -0.0634006100000000, 0.0320570800000000, 0.0306133700000000 ] - [ 0.0004138800000000, -0.0000809900000000, 0.0000837300000000 ] - [ -0.0052962600000000, 0.0028235600000000, -0.0004750300000000 ] - [ 0.0008425300000000, -0.0003964300000000, 0.0001150500000000 ] - [ -0.0012531300000000, -0.0039065000000000, 0.0001142200000000 ] - [ 0.0006668400000000, 0.0000118200000000, 0.0002745900000000 ] - [ -0.0039818500000000, -0.0003864700000000, -0.0047582300000000 ] - [ 0.0011437100000000, 0.0000532400000000, 0.0001861500000000 ] - [ -0.0022806000000000, -0.0000593200000000, -0.0010739700000000 ] - [ 0.0009877100000000, 0.0000756400000000, 0.0001203800000000 ] - [ 0.0031285200000000, -0.0023967000000000, 0.0107037200000000 ] - [ 0.0008854800000000, -0.0000443500000000, 0.0001587600000000 ] - [ 0.0037999100000000, 0.0126980200000000, -0.0002801800000000 ] - [ 0.0009719600000000, 0.0001091100000000, -0.0000031500000000 ] - [ -0.0011362200000000, -0.0007149600000000, 0.0011413100000000 ] - [ 0.0003104500000000, 0.0001337900000000, 0.0000013700000000 ] - [ -0.0007108500000000, -0.0008624700000000, 0.0006912600000000 ] - [ 0.0005146100000000, 0.0000836400000000, -0.0000027600000000 ] - [ 0.0031562800000000, -0.0002134100000000, -0.0051511900000000 ] - [ 0.0010240600000000, 0.0000547000000000, 0.0001776000000000 ] - [ 0.0024642400000000, -0.0039864500000000, 0.0018816200000000 ] - [ 0.0007863800000000, 0.0000914000000000, 0.0000673500000000 ] - [ -0.0005508200000000, 0.0008145100000000, -0.0002496000000000 ] - [ 0.0009142900000000, 0.0001098800000000, -0.0000890600000000 ]- atom: 85 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ -0.0006725300000000, 0.0004134600000000, -0.0001449500000000 ] - [ 0.0002937000000000, 0.0001259500000000, 0.0000947500000000 ] - [ -0.0005047500000000, 0.0000657600000000, 0.0000947300000000 ] - [ 0.0004390300000000, 0.0002588700000000, -0.0000285600000000 ] - [ -0.0003371800000000, 0.0011285500000000, -0.0010304300000000 ] - [ 0.0002515100000000, -0.0000173200000000, -0.0002211100000000 ] - [ 0.0027049700000000, 0.0012341100000000, 0.0014474900000000 ] - [ 0.0006417500000000, 0.0001436900000000, 0.0000271200000000 ] - [ -0.0000156900000000, -0.0004723100000000, -0.0001124000000000 ] - [ 0.0007097300000000, 0.0000980300000000, -0.0000665900000000 ] - [ 0.0006591400000000, 0.0000029900000000, 0.0000500000000000 ] - [ 0.0006612600000000, 0.0005909300000000, -0.0003039300000000 ] - [ 0.0006895100000000, -0.0005519200000000, 0.0006385900000000 ] - [ 0.0008660900000000, -0.0000093200000000, -0.0001117500000000 ] - [ -0.0010953000000000, -0.0002525600000000, 0.0006531900000000 ] - [ 0.0007402600000000, 0.0000579900000000, -0.0001804300000000 ] - [ -0.0018551400000000, -0.0001384900000000, 0.0002194600000000 ] - [ 0.0007225900000000, -0.0000856400000000, 0.0000575100000000 ] - [ -0.0223078900000000, 0.0189312500000000, 0.0175597700000000 ] - [ 0.0008538000000000, 0.0001535900000000, 0.0000155700000000 ] - [ 0.0007896500000000, 0.0008183800000000, -0.0006095000000000 ] - [ 0.0014358700000000, -0.0000827800000000, -0.0006553600000000 ] - [ 0.0034321700000000, 0.0001975300000000, -0.0010806400000000 ] - [ 0.0020373200000000, -0.0001773300000000, 0.0003582700000000 ] - [ 0.0029434400000000, -0.0009479800000000, -0.0001555700000000 ] - [ 0.0019814000000000, 0.0006701800000000, -0.0005758100000000 ] - [ 0.0007243400000000, -0.0032807900000000, -0.0030904500000000 ] - [ 0.0017882600000000, -0.0003549300000000, -0.0003835300000000 ] - [ -0.0007653000000000, -0.0005078600000000, -0.0009512900000000 ] - [ 0.0010857400000000, -0.0001594300000000, 0.0000176000000000 ] - [ -0.0014513900000000, 0.0024054600000000, 0.0016611200000000 ] - [ 0.0016854500000000, -0.0007662800000000, -0.0007633600000000 ] - [ -0.0204853700000000, 0.0029050200000000, 0.0013604300000000 ] - [ 0.0016356400000000, -0.0006561600000000, 0.0004135000000000 ] - [ -0.0163979800000000, 0.0024969100000000, 0.0013399700000000 ] - [ 0.0016347000000000, 0.0000470200000000, -0.0001885500000000 ] - [ -0.0030091600000000, -0.0002128400000000, -0.0002220200000000 ] - [ 0.0018185000000000, -0.0004660300000000, 0.0004649800000000 ] - [ -0.0043306500000000, 0.0004630200000000, 0.0001546200000000 ] - [ 0.0015855700000000, 0.0004108500000000, 0.0006783600000000 ] - [ -0.0036187600000000, -0.0031786000000000, 0.0035718600000000 ] - [ 0.0015420200000000, -0.0000219700000000, -0.0000565400000000 ] - [ -0.0028116900000000, 0.0017164900000000, -0.0008784900000000 ] - [ 0.0016949400000000, 0.0005920600000000, 0.0002256400000000 ] - [ -0.0005372900000000, 0.0004065100000000, 0.0002824700000000 ] - [ -0.0011823700000000, -0.0004325700000000, 0.0000583800000000 ] - [ -0.0004484100000000, -0.0003020200000000, 0.0005146900000000 ] - [ -0.0009249600000000, -0.0000637000000000, -0.0001189800000000 ] - [ -0.0001386800000000, 0.0000179100000000, -0.0006354700000000 ] - [ -0.0010767100000000, -0.0002924700000000, 0.0003752900000000 ] - [ -0.0016098500000000, 0.0004867600000000, 0.0006503700000000 ] - [ -0.0006140300000000, -0.0001975100000000, -0.0000180600000000 ] - [ -0.0003708700000000, -0.0004937100000000, 0.0004723400000000 ] - [ -0.0003752200000000, 0.0002984100000000, -0.0000913300000000 ] - [ -0.0004100800000000, -0.0002291200000000, -0.0000001700000000 ] - [ -0.0001985600000000, 0.0002536500000000, 0.0000534400000000 ] - [ -0.0007399000000000, 0.0004758400000000, 0.0004062000000000 ] - [ -0.0002652900000000, -0.0002087800000000, -0.0000437500000000 ] - [ -0.0010280600000000, -0.0001823200000000, 0.0000154300000000 ] - [ -0.0010159800000000, 0.0001190400000000, 0.0005136600000000 ] - [ -0.0018040200000000, -0.0012189200000000, -0.0006097700000000 ] - [ -0.0013307200000000, 0.0002108700000000, 0.0005354700000000 ] - [ -0.0002038500000000, 0.0007051800000000, 0.0007391600000000 ] - [ -0.0006422400000000, 0.0000277400000000, 0.0000787300000000 ] - [ -0.0017215900000000, -0.0010298500000000, -0.0013317200000000 ] - [ -0.0012903100000000, 0.0002815400000000, 0.0002907400000000 ] - [ 0.0001892800000000, -0.0000649100000000, 0.0000075900000000 ] - [ -0.0004687000000000, 0.0003553700000000, 0.0002051900000000 ] - [ 0.0004829100000000, 0.0012975800000000, 0.0009980900000000 ] - [ -0.0002304500000000, 0.0000374000000000, -0.0000067000000000 ] - [ -0.0029008300000000, 0.0063034700000000, 0.0025505000000000 ] - [ -0.0009187700000000, -0.0000364000000000, 0.0001729900000000 ] - [ 0.0010640400000000, -0.0001674200000000, 0.0000698900000000 ] - [ -0.0009099300000000, 0.0003120100000000, 0.0001034100000000 ] - [ -0.0020623900000000, 0.0011848500000000, 0.0060385600000000 ] - [ -0.0011924700000000, 0.0001582200000000, 0.0000422200000000 ] - [ 0.0028294400000000, 0.0001946400000000, 0.0000954300000000 ] - [ -0.0011422700000000, 0.0002713300000000, 0.0001222200000000 ] - [ 0.0065035100000000, 0.0027456800000000, 0.0026163500000000 ] - [ -0.0006904300000000, 0.0000451700000000, -0.0000903400000000 ] - [ 0.0011952200000000, 0.0000884800000000, 0.0003458200000000 ] - [ -0.0008677700000000, 0.0000405200000000, -0.0000666800000000 ] - [ 0.0027393500000000, 0.0008710500000000, -0.0010506500000000 ] - [ -0.0005501400000000, 0.0000597200000000, -0.0000597700000000 ] - [ 0.0629755400000000, -0.0308211500000000, -0.0296035900000000 ] - [ -0.0003349700000000, 0.0001072700000000, -0.0000616900000000 ] - [ 0.0051732900000000, -0.0030732700000000, 0.0005562000000000 ] - [ -0.0009437100000000, 0.0001108100000000, 0.0000110000000000 ] - [ 0.0009790800000000, 0.0037577700000000, -0.0000162200000000 ] - [ -0.0008866100000000, -0.0000369700000000, -0.0002103000000000 ] - [ 0.0040379000000000, 0.0005214000000000, 0.0048314900000000 ] - [ -0.0010342400000000, 0.0000926800000000, -0.0000458200000000 ] - [ 0.0021522500000000, 0.0002038900000000, 0.0009362200000000 ] - [ -0.0010976700000000, 0.0000702900000000, -0.0002577300000000 ] - [ -0.0028674700000000, 0.0023466200000000, -0.0106243600000000 ] - [ -0.0006606200000000, 0.0000206100000000, -0.0002243600000000 ] - [ -0.0036649500000000, -0.0128011200000000, 0.0001442000000000 ] - [ -0.0008699300000000, -0.0003883900000000, -0.0001224100000000 ] - [ 0.0010484400000000, 0.0007284300000000, -0.0011632700000000 ] - [ -0.0003869500000000, -0.0001132300000000, -0.0000280500000000 ] - [ 0.0008899300000000, 0.0008197700000000, -0.0007361000000000 ] - [ -0.0003259600000000, -0.0001181900000000, -0.0000442200000000 ] - [ -0.0030038300000000, 0.0001298500000000, 0.0050224400000000 ] - [ -0.0008867400000000, -0.0001332300000000, -0.0002574300000000 ] - [ -0.0024927100000000, 0.0037578900000000, -0.0016933700000000 ] - [ -0.0008259800000000, -0.0002689100000000, 0.0001123700000000 ] - [ 0.0004740200000000, -0.0007657800000000, 0.0000555600000000 ] - [ -0.0009782600000000, -0.0000638000000000, -0.0001050900000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004574300000000, -0.0044618500000000, -0.0011244200000000 ] - [ -0.0000197900000000, 0.0000743400000000, 0.0000175600000000 ] - [ -0.0006644900000000, -0.0011158000000000, 0.0015811700000000 ] - [ 0.0002118100000000, 0.0001553400000000, 0.0000683700000000 ] - [ -0.0018886500000000, 0.0015796000000000, 0.0016006800000000 ] - [ 0.0000922300000000, 0.0001081700000000, -0.0002014900000000 ] - [ 0.0000810700000000, 0.0028497600000000, -0.0010797300000000 ] - [ 0.0004805500000000, 0.0005385100000000, 0.0001352800000000 ] - [ -0.0003547000000000, -0.0016816300000000, 0.0010672200000000 ] - [ 0.0004030000000000, -0.0003735300000000, -0.0001809300000000 ] - [ 0.0007314400000000, 0.0000039900000000, 0.0000796500000000 ] - [ -0.0016445100000000, -0.0008894900000000, 0.0010592700000000 ] - [ 0.0030646300000000, -0.0015204100000000, 0.0017658100000000 ] - [ -0.0007187500000000, 0.0002335100000000, 0.0004610500000000 ] - [ 0.0001284700000000, 0.0049797600000000, 0.0021902800000000 ] - [ 0.0002251000000000, 0.0001444700000000, -0.0000522600000000 ] - [ -0.0030578900000000, -0.0012114700000000, -0.0017458400000000 ] - [ 0.0003558900000000, -0.0001104300000000, 0.0001109100000000 ] - [ -0.0166178100000000, 0.0234909200000000, 0.0178770300000000 ] - [ 0.0001785900000000, 0.0000911600000000, -0.0000497400000000 ] - [ 0.0003772600000000, 0.0014890100000000, -0.0002223000000000 ] - [ 0.0017425600000000, 0.0011683200000000, -0.0013165700000000 ] - [ 0.0026468500000000, 0.0009149400000000, 0.0006638100000000 ] - [ -0.0007018600000000, 0.0016482300000000, -0.0002641100000000 ] - [ 0.0026531300000000, -0.0029268700000000, -0.0017573400000000 ] - [ -0.0027876600000000, -0.0007001800000000, 0.0001060300000000 ] - [ 0.0076832700000000, 0.0084809500000000, -0.0114666100000000 ] - [ 0.0003850600000000, 0.0000536800000000, -0.0002837700000000 ] - [ 0.0015910900000000, -0.0028017000000000, -0.0007988500000000 ] - [ 0.0002616000000000, -0.0003704200000000, 0.0000229200000000 ] - [ -0.0031311300000000, -0.0040608200000000, -0.0035574300000000 ] - [ 0.0005539300000000, -0.0006213000000000, -0.0001760200000000 ] - [ -0.0062521700000000, 0.0279500000000000, 0.0220410600000000 ] - [ 0.0005544700000000, -0.0000573500000000, 0.0001716400000000 ] - [ -0.0093150500000000, 0.0870854900000000, -0.0038882600000000 ] - [ 0.0004415300000000, 0.0000988300000000, -0.0001225600000000 ] - [ 0.0018464800000000, -0.0134160700000000, 0.0115164500000000 ] - [ 0.0006506500000000, -0.0002689300000000, 0.0000730200000000 ] - [ 0.0043949100000000, 0.0031334200000000, 0.0026105000000000 ] - [ 0.0003008100000000, 0.0006764500000000, 0.0001317000000000 ] - [ 0.0094065700000000, -0.0087988800000000, 0.0018256000000000 ] - [ -0.0001322500000000, -0.0001477200000000, 0.0003308200000000 ] - [ -0.0116224400000000, -0.0155995500000000, -0.0044229000000000 ] - [ 0.0006958200000000, -0.0002363200000000, -0.0000746000000000 ] - [ 0.0035077600000000, 0.0035655100000000, -0.0000753800000000 ] - [ -0.0006509400000000, 0.0011816000000000, 0.0001674900000000 ] - [ -0.0016962300000000, -0.0010352600000000, -0.0003354800000000 ] - [ 0.0002208300000000, -0.0008016400000000, 0.0000440100000000 ] - [ -0.0022639800000000, 0.0002385500000000, 0.0008836700000000 ] - [ 0.0003721100000000, 0.0001352900000000, -0.0003064600000000 ] - [ -0.0007023700000000, -0.0000853600000000, -0.0001026300000000 ] - [ 0.0000553700000000, -0.0008337700000000, 0.0003307500000000 ] - [ 0.0003683600000000, -0.0011801700000000, -0.0006191000000000 ] - [ -0.0006303600000000, -0.0010097000000000, 0.0000095900000000 ] - [ 0.0001108200000000, -0.0001561800000000, -0.0002672500000000 ] - [ -0.0007183900000000, 0.0000951200000000, 0.0000938100000000 ] - [ -0.0003409200000000, 0.0006922100000000, 0.0000245000000000 ] - [ 0.0005361200000000, 0.0001555400000000, 0.0004708500000000 ] - [ 0.0000630200000000, -0.0003235500000000, 0.0005509700000000 ] - [ -0.0025091100000000, -0.0009363400000000, 0.0014716700000000 ] - [ 0.0035871100000000, 0.0025260200000000, 0.0013973100000000 ] - [ -0.0006649800000000, 0.0004624800000000, 0.0003317600000000 ] - [ -0.0011339000000000, -0.0009395300000000, 0.0006463500000000 ] - [ -0.0002158400000000, -0.0000510100000000, 0.0000397500000000 ] - [ 0.0016967000000000, -0.0007644200000000, 0.0007064500000000 ] - [ -0.0007814500000000, 0.0002336200000000, 0.0000983700000000 ] - [ 0.0004030200000000, 0.0026742900000000, -0.0001014900000000 ] - [ -0.0003077600000000, 0.0004571800000000, 0.0000149400000000 ] - [ -0.0009051900000000, 0.0019193400000000, 0.0018317100000000 ] - [ 0.0000120500000000, 0.0000859200000000, 0.0000408500000000 ] - [ -0.0161814100000000, 0.0033333600000000, 0.0077321500000000 ] - [ 0.0000265000000000, -0.0001997000000000, 0.0001336800000000 ] - [ -0.0017470700000000, 0.0031991500000000, -0.0009214900000000 ] - [ -0.0001799100000000, 0.0002973600000000, -0.0000346100000000 ] - [ 0.0092199900000000, -0.0090578000000000, -0.0028444900000000 ] - [ -0.0005274200000000, -0.0002324900000000, 0.0000514700000000 ] - [ 0.0013960600000000, 0.0113119000000000, 0.0039691000000000 ] - [ -0.0003991900000000, 0.0002253000000000, 0.0001236900000000 ] - [ -0.0034945200000000, 0.0065816100000000, 0.0264099100000000 ] - [ -0.0001822200000000, -0.0001246800000000, -0.0000784000000000 ] - [ -0.0006680700000000, 0.0024121200000000, -0.0024823000000000 ] - [ -0.0003215800000000, 0.0000272200000000, 0.0000063000000000 ] - [ -0.0004451700000000, 0.0078743000000000, -0.0151104600000000 ] - [ -0.0002459500000000, 0.0000078000000000, -0.0000194800000000 ] - [ 0.0312467700000000, -0.1976722600000000, -0.0271054000000000 ] - [ -0.0000548500000000, -0.0000777000000000, 0.0000054200000000 ] - [ -0.0043290600000000, 0.0095042000000000, -0.0118646400000000 ] - [ -0.0002169100000000, -0.0001452300000000, 0.0000326300000000 ] - [ 0.0057145600000000, 0.0269063500000000, -0.0055827100000000 ] - [ -0.0003368100000000, 0.0000503200000000, -0.0000256200000000 ] - [ -0.0023685600000000, -0.0023795600000000, -0.0091383700000000 ] - [ -0.0002931500000000, -0.0000065100000000, 0.0000462400000000 ] - [ 0.0027179700000000, 0.0022288800000000, -0.0018604100000000 ] - [ -0.0004410900000000, 0.0001683000000000, -0.0000677200000000 ] - [ -0.0057186400000000, -0.0006323700000000, -0.0052332500000000 ] - [ -0.0001094700000000, -0.0001659400000000, -0.0001325700000000 ] - [ 0.0175132900000000, 0.0122117300000000, 0.0002242600000000 ] - [ -0.0003301800000000, -0.0001408600000000, -0.0001158500000000 ] - [ 0.0006880400000000, 0.0061342000000000, 0.0035154100000000 ] - [ -0.0001634600000000, 0.0002467200000000, -0.0000390800000000 ] - [ -0.0011157900000000, 0.0011771800000000, -0.0019700900000000 ] - [ 0.0000027000000000, -0.0000830600000000, -0.0001293100000000 ] - [ -0.0035450600000000, -0.0019207700000000, 0.0005890900000000 ] - [ 0.0000428900000000, -0.0001929000000000, 0.0000904800000000 ] - [ -0.0051763700000000, 0.0102509900000000, -0.0001762400000000 ] - [ 0.0001498800000000, 0.0001245900000000, 0.0000756400000000 ] - [ 0.0006292500000000, -0.0027038900000000, -0.0001740200000000 ] - [ -0.0009399900000000, -0.0004217300000000, 0.0000319100000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001986200000000, 0.0047599500000000, 0.0010871500000000 ] - [ -0.0002545500000000, 0.0002435300000000, -0.0000262500000000 ] - [ 0.0008528500000000, 0.0013484100000000, -0.0013426800000000 ] - [ -0.0000158300000000, 0.0001038700000000, 0.0001566000000000 ] - [ 0.0016773000000000, -0.0012885900000000, -0.0018149600000000 ] - [ -0.0002851100000000, 0.0001507900000000, -0.0000251100000000 ] - [ 0.0002284700000000, -0.0024931700000000, 0.0010859300000000 ] - [ -0.0002035200000000, -0.0002160600000000, -0.0001252500000000 ] - [ 0.0005250300000000, 0.0016861300000000, -0.0010539800000000 ] - [ -0.0002169400000000, 0.0003932600000000, 0.0001789200000000 ] - [ -0.0009029200000000, -0.0000602100000000, 0.0000162900000000 ] - [ 0.0014316600000000, 0.0008097400000000, -0.0009455800000000 ] - [ -0.0028474100000000, 0.0014607300000000, -0.0018445000000000 ] - [ 0.0008915000000000, -0.0002780800000000, -0.0005519900000000 ] - [ -0.0003195900000000, -0.0048843600000000, -0.0021719700000000 ] - [ -0.0004029600000000, -0.0001189400000000, 0.0000525100000000 ] - [ 0.0030031900000000, 0.0012552200000000, 0.0018370400000000 ] - [ -0.0003809500000000, 0.0001433300000000, -0.0000125600000000 ] - [ 0.0176604500000000, -0.0243705500000000, -0.0191834700000000 ] - [ -0.0001489000000000, -0.0000589900000000, -0.0000468500000000 ] - [ -0.0000939200000000, -0.0013819300000000, 0.0001954000000000 ] - [ -0.0014633500000000, -0.0010719200000000, 0.0012904500000000 ] - [ -0.0025629000000000, -0.0011005700000000, -0.0007517500000000 ] - [ 0.0007187500000000, -0.0018261900000000, 0.0001621300000000 ] - [ -0.0031668400000000, 0.0027319000000000, 0.0016656000000000 ] - [ 0.0022789900000000, 0.0005433300000000, -0.0001990400000000 ] - [ -0.0071456600000000, -0.0084683100000000, 0.0114213500000000 ] - [ 0.0001334700000000, -0.0001952500000000, 0.0003607600000000 ] - [ -0.0015878400000000, 0.0025977000000000, 0.0009153200000000 ] - [ -0.0002884600000000, 0.0001787400000000, 0.0000840000000000 ] - [ 0.0028923800000000, 0.0040760200000000, 0.0035874200000000 ] - [ -0.0008171900000000, 0.0006905500000000, 0.0002061300000000 ] - [ 0.0062432800000000, -0.0279989000000000, -0.0216057900000000 ] - [ -0.0005081300000000, -0.0000361900000000, 0.0000421400000000 ] - [ 0.0088560800000000, -0.0801319400000000, 0.0028708500000000 ] - [ -0.0003350400000000, -0.0001045800000000, -0.0001365700000000 ] - [ -0.0015466800000000, 0.0133775200000000, -0.0115163300000000 ] - [ -0.0003647800000000, 0.0003234400000000, -0.0002380700000000 ] - [ -0.0045853000000000, -0.0030618900000000, -0.0023934500000000 ] - [ -0.0005768000000000, -0.0006164000000000, 0.0000384800000000 ] - [ -0.0094925100000000, 0.0086425200000000, -0.0016126300000000 ] - [ 0.0000334000000000, 0.0001379500000000, -0.0000716100000000 ] - [ 0.0114376800000000, 0.0154139900000000, 0.0041552000000000 ] - [ -0.0007206800000000, 0.0001438100000000, -0.0001388900000000 ] - [ -0.0032918500000000, -0.0036901200000000, 0.0001589100000000 ] - [ 0.0007996600000000, -0.0013330000000000, -0.0000784200000000 ] - [ 0.0017835900000000, 0.0010660800000000, 0.0002493600000000 ] - [ -0.0000940100000000, 0.0008372600000000, -0.0001311800000000 ] - [ 0.0021195800000000, -0.0004461100000000, -0.0008987800000000 ] - [ -0.0005034000000000, -0.0003501100000000, 0.0002807300000000 ] - [ 0.0005692900000000, 0.0000796500000000, 0.0002547700000000 ] - [ -0.0001731400000000, 0.0008150800000000, -0.0001665500000000 ] - [ -0.0002625400000000, 0.0014833800000000, 0.0006294300000000 ] - [ 0.0007277100000000, 0.0013199600000000, 0.0000051900000000 ] - [ 0.0000111600000000, 0.0001363600000000, 0.0001576400000000 ] - [ 0.0008302900000000, -0.0001140600000000, -0.0002012200000000 ] - [ 0.0004663300000000, -0.0005477900000000, 0.0001147100000000 ] - [ -0.0004113400000000, -0.0000192700000000, -0.0003266600000000 ] - [ -0.0000874300000000, 0.0003361100000000, -0.0006895700000000 ] - [ 0.0024778100000000, 0.0009404700000000, -0.0016099000000000 ] - [ -0.0035854400000000, -0.0024939100000000, -0.0012438900000000 ] - [ 0.0006868800000000, -0.0004390900000000, -0.0001885300000000 ] - [ 0.0009972500000000, 0.0010443300000000, -0.0007907200000000 ] - [ 0.0000840000000000, 0.0001762700000000, -0.0001816300000000 ] - [ -0.0017922800000000, 0.0007723500000000, -0.0005900900000000 ] - [ 0.0006435500000000, -0.0002418500000000, 0.0000078400000000 ] - [ -0.0005093000000000, -0.0023188100000000, 0.0000741700000000 ] - [ 0.0002002600000000, -0.0001282900000000, -0.0000320800000000 ] - [ 0.0010168700000000, -0.0019437200000000, -0.0019875600000000 ] - [ 0.0001084800000000, -0.0001058800000000, -0.0002048100000000 ] - [ 0.0160467700000000, -0.0035600800000000, -0.0075939800000000 ] - [ 0.0001103900000000, -0.0000230300000000, -0.0001035200000000 ] - [ 0.0015976500000000, -0.0031225100000000, 0.0009874700000000 ] - [ 0.0000612900000000, -0.0002498100000000, 0.0001175600000000 ] - [ -0.0092205500000000, 0.0088035000000000, 0.0026764900000000 ] - [ 0.0003527000000000, 0.0000714300000000, -0.0001362800000000 ] - [ -0.0013426400000000, -0.0112045100000000, -0.0038174100000000 ] - [ 0.0004595600000000, -0.0001798300000000, 0.0000696400000000 ] - [ 0.0035176000000000, -0.0067736800000000, -0.0261852700000000 ] - [ 0.0002203000000000, -0.0000490100000000, -0.0001033500000000 ] - [ 0.0005184300000000, -0.0024752600000000, 0.0025111600000000 ] - [ 0.0001848600000000, -0.0001061600000000, 0.0000737000000000 ] - [ 0.0002533300000000, -0.0078792400000000, 0.0148957600000000 ] - [ 0.0000565400000000, -0.0000409200000000, 0.0000685100000000 ] - [ -0.0316453700000000, 0.1910788300000000, 0.0288531000000000 ] - [ 0.0001324200000000, 0.0001023400000000, 0.0000152900000000 ] - [ 0.0042220300000000, -0.0098081200000000, 0.0121621400000000 ] - [ 0.0001114200000000, -0.0001403500000000, 0.0000931200000000 ] - [ -0.0058416300000000, -0.0264529100000000, 0.0055772600000000 ] - [ 0.0001119900000000, -0.0000744400000000, 0.0000889500000000 ] - [ 0.0024207000000000, 0.0024463500000000, 0.0091122200000000 ] - [ 0.0003964600000000, 0.0001521800000000, 0.0000946400000000 ] - [ -0.0027806100000000, -0.0020664500000000, 0.0016995500000000 ] - [ 0.0003252200000000, -0.0000217600000000, -0.0000707700000000 ] - [ 0.0058267900000000, 0.0006994200000000, 0.0050418600000000 ] - [ 0.0003318500000000, 0.0001436200000000, 0.0000659800000000 ] - [ -0.0171545700000000, -0.0124616500000000, -0.0003407800000000 ] - [ 0.0004268200000000, -0.0001418900000000, -0.0000098400000000 ] - [ -0.0007547900000000, -0.0060562900000000, -0.0034951900000000 ] - [ 0.0000846600000000, -0.0002254400000000, 0.0000139100000000 ] - [ 0.0013024100000000, -0.0011646300000000, 0.0019220700000000 ] - [ 0.0001836200000000, 0.0000487300000000, 0.0000820100000000 ] - [ 0.0036082500000000, 0.0018503200000000, -0.0006364300000000 ] - [ 0.0000933300000000, 0.0001139400000000, -0.0001692800000000 ] - [ 0.0051710800000000, -0.0103886500000000, 0.0003724400000000 ] - [ -0.0001933100000000, -0.0003000300000000, 0.0001045100000000 ] - [ -0.0007007600000000, 0.0027078800000000, -0.0000236600000000 ] - [ 0.0008654300000000, 0.0004633700000000, -0.0002251500000000 ]- atom: 85 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ 0.0006677900000000, 0.0016105800000000, 0.0024564000000000 ] - [ -0.0001997900000000, 0.0001762600000000, 0.0000602700000000 ] - [ 0.0009641000000000, 0.0016973700000000, -0.0030351400000000 ] - [ 0.0000370200000000, 0.0001130700000000, 0.0000998400000000 ] - [ 0.0018962200000000, 0.0006329000000000, -0.0018879700000000 ] - [ -0.0002117500000000, 0.0001662600000000, -0.0001572800000000 ] - [ 0.0002420900000000, -0.0009124800000000, 0.0021248500000000 ] - [ 0.0003273400000000, 0.0002281000000000, 0.0003582500000000 ] - [ 0.0004871600000000, 0.0008160600000000, -0.0016418200000000 ] - [ -0.0001083000000000, -0.0002231200000000, -0.0003941100000000 ] - [ -0.0009743600000000, -0.0000551000000000, -0.0000915000000000 ] - [ 0.0030791100000000, 0.0023983600000000, -0.0019525200000000 ] - [ -0.0013187300000000, 0.0003014500000000, -0.0001720400000000 ] - [ 0.0005939000000000, -0.0001225800000000, -0.0002426700000000 ] - [ -0.0009608600000000, -0.0012192100000000, -0.0091813400000000 ] - [ -0.0001985600000000, 0.0000694500000000, -0.0001403500000000 ] - [ -0.0012031200000000, -0.0015730200000000, -0.0015521100000000 ] - [ -0.0000116500000000, -0.0000472600000000, 0.0000807700000000 ] - [ -0.0143641800000000, 0.0186652700000000, 0.0231507600000000 ] - [ -0.0002051000000000, 0.0000139500000000, -0.0000155000000000 ] - [ -0.0013486100000000, -0.0010049300000000, -0.0007006000000000 ] - [ 0.0012327700000000, -0.0002884600000000, -0.0024791400000000 ] - [ 0.0026232400000000, -0.0000839900000000, -0.0008774100000000 ] - [ -0.0033110900000000, 0.0008272200000000, -0.0003670100000000 ] - [ 0.0004714900000000, 0.0006802300000000, 0.0023393500000000 ] - [ -0.0017015800000000, 0.0000379400000000, 0.0018496700000000 ] - [ 0.0054107600000000, -0.0108419300000000, 0.0074656100000000 ] - [ -0.0001905000000000, -0.0001260700000000, 0.0004841400000000 ] - [ -0.0008650800000000, -0.0009685900000000, -0.0038145600000000 ] - [ -0.0004326900000000, -0.0001613600000000, -0.0001372400000000 ] - [ -0.0064837300000000, -0.0023628800000000, -0.0020734500000000 ] - [ -0.0001354400000000, 0.0000012200000000, -0.0002279300000000 ] - [ -0.0064818700000000, -0.0075885400000000, 0.0651760100000000 ] - [ -0.0002747600000000, 0.0000549000000000, 0.0001834800000000 ] - [ -0.0029814600000000, 0.0215153400000000, 0.0206013900000000 ] - [ -0.0001619900000000, -0.0000663300000000, 0.0000057500000000 ] - [ -0.0000275300000000, 0.0044723600000000, -0.0058971500000000 ] - [ -0.0000963900000000, 0.0000208100000000, -0.0003221900000000 ] - [ -0.0114086100000000, -0.0021199300000000, -0.0137490100000000 ] - [ 0.0000118800000000, 0.0002935500000000, -0.0005076700000000 ] - [ -0.0121132500000000, 0.0082134800000000, 0.0054063400000000 ] - [ 0.0000170900000000, 0.0000983800000000, 0.0003935300000000 ] - [ 0.0038912200000000, 0.0052151000000000, 0.0048271500000000 ] - [ -0.0006314300000000, -0.0003393600000000, 0.0000949800000000 ] - [ -0.0017503900000000, -0.0012009300000000, -0.0000704200000000 ] - [ 0.0007902100000000, 0.0001034600000000, -0.0001812500000000 ] - [ 0.0016792300000000, 0.0006471600000000, 0.0019754700000000 ] - [ -0.0003782400000000, -0.0001552400000000, 0.0012426300000000 ] - [ 0.0026875100000000, -0.0005948300000000, -0.0023782200000000 ] - [ -0.0006133800000000, -0.0006108900000000, -0.0010265000000000 ] - [ -0.0006178900000000, 0.0004184000000000, -0.0002233000000000 ] - [ 0.0001056000000000, -0.0000507200000000, -0.0008003600000000 ] - [ -0.0003348300000000, 0.0001827200000000, 0.0009781900000000 ] - [ 0.0005370200000000, -0.0003273400000000, 0.0009649900000000 ] - [ 0.0003437100000000, 0.0002062600000000, 0.0002611400000000 ] - [ 0.0000141600000000, 0.0005376600000000, 0.0004592000000000 ] - [ -0.0001463100000000, 0.0000828600000000, 0.0001855900000000 ] - [ 0.0014202100000000, 0.0002198600000000, 0.0000128300000000 ] - [ 0.0004317800000000, 0.0002653000000000, -0.0004392100000000 ] - [ -0.0019383200000000, 0.0008916700000000, 0.0010442400000000 ] - [ 0.0018138100000000, 0.0004185700000000, -0.0019564400000000 ] - [ -0.0000376000000000, -0.0000491200000000, -0.0000387900000000 ] - [ -0.0007442100000000, 0.0017758800000000, 0.0017575800000000 ] - [ 0.0003236600000000, 0.0001592300000000, -0.0000123700000000 ] - [ 0.0048295300000000, 0.0009243100000000, 0.0028601100000000 ] - [ -0.0003053400000000, 0.0000370500000000, 0.0003388500000000 ] - [ -0.0003081100000000, -0.0004278800000000, 0.0028952200000000 ] - [ 0.0001437500000000, 0.0001341400000000, 0.0002216100000000 ] - [ -0.0007464300000000, 0.0016632900000000, 0.0010323500000000 ] - [ 0.0001365400000000, -0.0000129500000000, -0.0001359900000000 ] - [ 0.0067057300000000, -0.0019859000000000, -0.0085000100000000 ] - [ 0.0000874900000000, -0.0000570000000000, -0.0002491500000000 ] - [ 0.0019246900000000, 0.0000289300000000, 0.0015852800000000 ] - [ -0.0000325000000000, 0.0000110500000000, 0.0002312400000000 ] - [ -0.0182789200000000, 0.0073474700000000, 0.0038758100000000 ] - [ 0.0002447200000000, -0.0000487300000000, -0.0001274000000000 ] - [ 0.0032550700000000, 0.0038779500000000, 0.0049886700000000 ] - [ 0.0001256700000000, 0.0000413900000000, 0.0001463900000000 ] - [ -0.0032638200000000, 0.0233395300000000, 0.0080886300000000 ] - [ 0.0001647900000000, -0.0000913300000000, -0.0001963700000000 ] - [ 0.0004607200000000, -0.0004008900000000, 0.0048023900000000 ] - [ 0.0001002400000000, -0.0000163200000000, 0.0001937700000000 ] - [ 0.0008002600000000, -0.0132254800000000, 0.0095335100000000 ] - [ -0.0000354200000000, -0.0000130200000000, 0.0000520300000000 ] - [ 0.0304513900000000, -0.0270942900000000, -0.1604491300000000 ] - [ 0.0001096000000000, 0.0000089800000000, -0.0000948600000000 ] - [ 0.0069980300000000, -0.0178708900000000, 0.0057351000000000 ] - [ 0.0000415700000000, -0.0002079200000000, 0.0000150300000000 ] - [ -0.0020717500000000, -0.0071973000000000, 0.0021924400000000 ] - [ 0.0000584400000000, 0.0000247900000000, 0.0000688000000000 ] - [ 0.0077648700000000, 0.0034716900000000, 0.0217367900000000 ] - [ 0.0001320900000000, 0.0000342900000000, 0.0001713200000000 ] - [ -0.0024190000000000, -0.0004340300000000, 0.0003451900000000 ] - [ 0.0001636200000000, 0.0001282300000000, 0.0000231200000000 ] - [ 0.0131715800000000, -0.0030689500000000, 0.0085140500000000 ] - [ 0.0001281500000000, -0.0000916700000000, 0.0000144700000000 ] - [ -0.0060351500000000, -0.0067419600000000, -0.0039694000000000 ] - [ 0.0002043300000000, -0.0000169400000000, -0.0001483200000000 ] - [ 0.0011278300000000, -0.0035174800000000, -0.0040082500000000 ] - [ -0.0000266300000000, 0.0000348900000000, -0.0002203300000000 ] - [ 0.0018054300000000, -0.0015494500000000, 0.0026883100000000 ] - [ 0.0001314900000000, -0.0000485700000000, 0.0000552700000000 ] - [ -0.0052397100000000, 0.0001164800000000, 0.0115821700000000 ] - [ 0.0006769600000000, -0.0000934600000000, 0.0005227500000000 ] - [ -0.0017247200000000, -0.0000253100000000, -0.0050191700000000 ] - [ 0.0003665600000000, -0.0000103500000000, -0.0001909000000000 ] - [ 0.0014027700000000, 0.0020182300000000, 0.0013458400000000 ] - [ -0.0003629300000000, -0.0001290600000000, 0.0001569500000000 ]- atom: 85 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ -0.0009427400000000, -0.0012748900000000, -0.0024253600000000 ] - [ -0.0000745700000000, 0.0001423800000000, -0.0000675700000000 ] - [ -0.0007608700000000, -0.0014151800000000, 0.0032319500000000 ] - [ 0.0001578200000000, 0.0001461700000000, 0.0001249700000000 ] - [ -0.0020903200000000, -0.0003882000000000, 0.0016388600000000 ] - [ 0.0000165100000000, 0.0000922300000000, -0.0000702700000000 ] - [ 0.0000704900000000, 0.0012210400000000, -0.0020789900000000 ] - [ -0.0000510200000000, 0.0000893000000000, -0.0003448700000000 ] - [ -0.0003041100000000, -0.0007792000000000, 0.0016184500000000 ] - [ 0.0002899700000000, 0.0002449600000000, 0.0003882200000000 ] - [ 0.0007832700000000, 0.0000058000000000, 0.0001907400000000 ] - [ -0.0032165800000000, -0.0024157200000000, 0.0020285000000000 ] - [ 0.0014741300000000, -0.0003420300000000, 0.0000480600000000 ] - [ -0.0003986400000000, 0.0000671800000000, 0.0001360600000000 ] - [ 0.0008167200000000, 0.0011904900000000, 0.0091551800000000 ] - [ 0.0000152800000000, -0.0000462400000000, 0.0001389100000000 ] - [ 0.0011684300000000, 0.0015973700000000, 0.0016581600000000 ] - [ -0.0000158200000000, 0.0000799500000000, 0.0000178400000000 ] - [ 0.0152702400000000, -0.0197395500000000, -0.0239355000000000 ] - [ 0.0002321000000000, 0.0000197800000000, -0.0000827600000000 ] - [ 0.0015955500000000, 0.0010633900000000, 0.0006764000000000 ] - [ -0.0009509600000000, 0.0003571100000000, 0.0024399800000000 ] - [ -0.0026018000000000, -0.0001056000000000, 0.0007336900000000 ] - [ 0.0033348900000000, -0.0010196300000000, 0.0002453000000000 ] - [ -0.0009462800000000, -0.0007992400000000, -0.0024042400000000 ] - [ 0.0011696800000000, -0.0001713900000000, -0.0019168500000000 ] - [ -0.0049062900000000, 0.0105365400000000, -0.0072038200000000 ] - [ 0.0007033700000000, -0.0000211200000000, -0.0003947000000000 ] - [ 0.0008297700000000, 0.0007785400000000, 0.0038993900000000 ] - [ 0.0003989200000000, -0.0000328600000000, 0.0002427200000000 ] - [ 0.0062062200000000, 0.0024632200000000, 0.0020552800000000 ] - [ -0.0001325900000000, 0.0000825700000000, 0.0002422100000000 ] - [ 0.0059216400000000, 0.0066207700000000, -0.0594042400000000 ] - [ 0.0003144000000000, -0.0001463900000000, 0.0000324700000000 ] - [ 0.0030792000000000, -0.0214505800000000, -0.0208767100000000 ] - [ 0.0002628400000000, 0.0000573100000000, -0.0002635400000000 ] - [ 0.0002828900000000, -0.0044092800000000, 0.0055675900000000 ] - [ 0.0003763900000000, 0.0000347700000000, 0.0001510000000000 ] - [ 0.0109751300000000, 0.0021556600000000, 0.0138661900000000 ] - [ -0.0002807000000000, -0.0002355000000000, 0.0006755100000000 ] - [ 0.0118542600000000, -0.0081364200000000, -0.0050319700000000 ] - [ -0.0001136300000000, -0.0001008800000000, -0.0001298300000000 ] - [ -0.0038325200000000, -0.0052040800000000, -0.0049951700000000 ] - [ 0.0005857900000000, 0.0002438700000000, -0.0003061600000000 ] - [ 0.0018654400000000, 0.0010212700000000, 0.0001636100000000 ] - [ -0.0006171700000000, -0.0002656100000000, 0.0002669900000000 ] - [ -0.0015255300000000, -0.0005925800000000, -0.0020431500000000 ] - [ 0.0004853000000000, 0.0002024000000000, -0.0013149000000000 ] - [ -0.0027919200000000, 0.0003648800000000, 0.0023096100000000 ] - [ 0.0004690400000000, 0.0003807200000000, 0.0009799900000000 ] - [ 0.0004853200000000, -0.0004413200000000, 0.0003993700000000 ] - [ -0.0002229300000000, 0.0000275500000000, 0.0009624800000000 ] - [ 0.0004368300000000, 0.0001445700000000, -0.0009448400000000 ] - [ -0.0004275600000000, 0.0006517700000000, -0.0009371500000000 ] - [ -0.0002175700000000, -0.0002158600000000, -0.0003648100000000 ] - [ 0.0001081100000000, -0.0005488500000000, -0.0005629400000000 ] - [ 0.0002746200000000, 0.0000429700000000, -0.0000333600000000 ] - [ -0.0012874300000000, -0.0000922700000000, 0.0001363500000000 ] - [ -0.0004475700000000, -0.0002427300000000, 0.0002803700000000 ] - [ 0.0019179000000000, -0.0008553400000000, -0.0011921900000000 ] - [ -0.0017675000000000, -0.0003933300000000, 0.0021081500000000 ] - [ 0.0000442500000000, 0.0000673000000000, 0.0001896100000000 ] - [ 0.0006059600000000, -0.0016218500000000, -0.0018996800000000 ] - [ -0.0004459600000000, -0.0000276600000000, -0.0001331400000000 ] - [ -0.0049773500000000, -0.0009482200000000, -0.0027368300000000 ] - [ 0.0001824400000000, -0.0000589600000000, -0.0002292600000000 ] - [ 0.0001973400000000, 0.0007331900000000, -0.0028839700000000 ] - [ -0.0002467800000000, 0.0001890800000000, -0.0002355600000000 ] - [ 0.0008624300000000, -0.0016770100000000, -0.0012078600000000 ] - [ -0.0000162000000000, -0.0000075200000000, -0.0000306900000000 ] - [ -0.0063971400000000, 0.0016831600000000, 0.0084122900000000 ] - [ 0.0000479300000000, -0.0001636100000000, 0.0002759400000000 ] - [ -0.0020304500000000, 0.0000056300000000, -0.0014776700000000 ] - [ -0.0000861500000000, 0.0000347800000000, -0.0001438400000000 ] - [ 0.0177497600000000, -0.0073654300000000, -0.0039415300000000 ] - [ -0.0004100900000000, -0.0001096300000000, 0.0000383600000000 ] - [ -0.0031839100000000, -0.0038827800000000, -0.0047681400000000 ] - [ -0.0000628200000000, 0.0000005800000000, 0.0000482500000000 ] - [ 0.0032865100000000, -0.0231471800000000, -0.0082167300000000 ] - [ -0.0001242100000000, -0.0000826700000000, 0.0000115500000000 ] - [ -0.0005875800000000, 0.0003182100000000, -0.0046778000000000 ] - [ -0.0002337700000000, -0.0000625500000000, -0.0001099400000000 ] - [ -0.0009986100000000, 0.0133611300000000, -0.0094886200000000 ] - [ -0.0001518300000000, -0.0000183800000000, -0.0000010200000000 ] - [ -0.0305563300000000, 0.0292707000000000, 0.1551735300000000 ] - [ -0.0000310200000000, 0.0000183700000000, 0.0001150200000000 ] - [ -0.0069829900000000, 0.0172302400000000, -0.0056145300000000 ] - [ -0.0001445000000000, -0.0000775700000000, 0.0001093500000000 ] - [ 0.0018017100000000, 0.0068943300000000, -0.0020816500000000 ] - [ -0.0002785500000000, -0.0000492600000000, -0.0000042900000000 ] - [ -0.0075321500000000, -0.0032726800000000, -0.0212619500000000 ] - [ -0.0000254300000000, 0.0001116200000000, -0.0000315700000000 ] - [ 0.0023014200000000, 0.0005698900000000, -0.0004493700000000 ] - [ -0.0002753600000000, 0.0000182800000000, -0.0001589500000000 ] - [ -0.0127576500000000, 0.0030183200000000, -0.0085670500000000 ] - [ 0.0000947900000000, 0.0000673800000000, -0.0000818200000000 ] - [ 0.0059806900000000, 0.0062868700000000, 0.0038672900000000 ] - [ -0.0001026100000000, -0.0002603900000000, 0.0000218500000000 ] - [ -0.0011900800000000, 0.0034818900000000, 0.0039144800000000 ] - [ -0.0000505400000000, -0.0000151900000000, 0.0001894200000000 ] - [ -0.0015924800000000, 0.0014890300000000, -0.0027254100000000 ] - [ 0.0000552800000000, 0.0000132800000000, -0.0001035800000000 ] - [ 0.0054277900000000, -0.0001987500000000, -0.0116161600000000 ] - [ -0.0005409200000000, 0.0000137200000000, -0.0005997100000000 ] - [ 0.0016307800000000, -0.0001393800000000, 0.0051435800000000 ] - [ -0.0004023200000000, -0.0001688300000000, 0.0003674100000000 ] - [ -0.0014492400000000, -0.0019402800000000, -0.0015346400000000 ] - [ 0.0002921000000000, 0.0001741900000000, -0.0003496200000000 ]- atom: 87 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ 0.0062430700000000, 0.0013105300000000, 0.0006044700000000 ] - [ -0.0014856900000000, 0.0004255900000000, -0.0001971800000000 ] - [ 0.0072812800000000, -0.0005606700000000, 0.0033204900000000 ] - [ -0.0008346400000000, -0.0002139900000000, 0.0004482400000000 ] - [ 0.0011044300000000, -0.0002257100000000, -0.0003741300000000 ] - [ -0.0008821600000000, 0.0004472100000000, 0.0001802300000000 ] - [ 0.0004365900000000, -0.0009228700000000, 0.0009703600000000 ] - [ -0.0009317100000000, 0.0002066900000000, -0.0002014200000000 ] - [ 0.0002664600000000, 0.0024423100000000, -0.0019210500000000 ] - [ -0.0018473600000000, -0.0001764300000000, 0.0004011100000000 ] - [ -0.0032897800000000, -0.0022017800000000, -0.0021697000000000 ] - [ -0.0060159300000000, 0.0007783000000000, 0.0026017800000000 ] - [ -0.0006716200000000, 0.0001343200000000, -0.0003343700000000 ] - [ -0.0010426700000000, 0.0005136100000000, 0.0001207500000000 ] - [ 0.0012902600000000, 0.0002258900000000, 0.0008020400000000 ] - [ -0.0018506600000000, -0.0000270300000000, 0.0002841100000000 ] - [ 0.0065457600000000, 0.0019060700000000, -0.0006778700000000 ] - [ -0.0019145400000000, 0.0002759800000000, 0.0000015200000000 ] - [ 0.0063823000000000, -0.0019610300000000, -0.0001173400000000 ] - [ -0.0019877500000000, -0.0002702500000000, -0.0001923400000000 ] - [ -0.0005171700000000, -0.0003414400000000, -0.0000061300000000 ] - [ -0.0034667300000000, -0.0008077400000000, 0.0019417200000000 ] - [ -0.0001847300000000, -0.0019301200000000, 0.0015969200000000 ] - [ -0.0024469000000000, 0.0003826400000000, -0.0004097300000000 ] - [ -0.0065329300000000, 0.0001788700000000, 0.0118544600000000 ] - [ -0.0061893700000000, -0.0009710700000000, 0.0005314200000000 ] - [ -0.0019669300000000, 0.0039341500000000, -0.0011683000000000 ] - [ -0.0029183100000000, 0.0006922000000000, 0.0011887400000000 ] - [ -0.0001254100000000, -0.0035984400000000, 0.0054544800000000 ] - [ -0.0030592500000000, 0.0009216700000000, -0.0002671600000000 ] - [ 0.0018624200000000, 0.0000233700000000, 0.0000872600000000 ] - [ -0.0044996100000000, 0.0008572700000000, 0.0025230900000000 ] - [ 0.0249564500000000, 0.0153484100000000, 0.0002058000000000 ] - [ -0.0044047900000000, 0.0014440100000000, -0.0006440300000000 ] - [ 0.0085479100000000, 0.0053104400000000, -0.0053428500000000 ] - [ -0.0035487300000000, -0.0001386600000000, 0.0000949800000000 ] - [ 0.0078668700000000, -0.0003726200000000, 0.0021642800000000 ] - [ -0.0039942800000000, 0.0013342400000000, -0.0014557700000000 ] - [ 0.0113252300000000, -0.0079823500000000, -0.0061241800000000 ] - [ -0.0043863700000000, -0.0008680500000000, -0.0011181100000000 ] - [ 0.0423788200000000, -0.0071364500000000, 0.0053945100000000 ] - [ -0.0047670800000000, 0.0001056100000000, 0.0005215800000000 ] - [ 0.0077815100000000, 0.0099083700000000, 0.0105517000000000 ] - [ -0.0040383500000000, -0.0017022500000000, -0.0010048400000000 ] - [ -0.0005623700000000, -0.0029890700000000, -0.0012502300000000 ] - [ 0.0027417100000000, 0.0010461000000000, 0.0000250100000000 ] - [ -0.0002958400000000, 0.0017492700000000, 0.0006058500000000 ] - [ 0.0023673500000000, 0.0002344100000000, -0.0003804700000000 ] - [ 0.0224641300000000, 0.0043600700000000, -0.0086378600000000 ] - [ 0.0035078500000000, 0.0003090600000000, -0.0003994300000000 ] - [ 0.0000109800000000, 0.0024169400000000, -0.0022038600000000 ] - [ 0.0007640700000000, -0.0003269200000000, 0.0004069100000000 ] - [ 0.0001156700000000, 0.0010256000000000, -0.0000665900000000 ] - [ 0.0008005600000000, 0.0001606900000000, -0.0004031500000000 ] - [ 0.0014085400000000, -0.0007012100000000, 0.0002362600000000 ] - [ 0.0017960600000000, 0.0003995400000000, -0.0005185700000000 ] - [ 0.0017486000000000, 0.0004722300000000, -0.0014861100000000 ] - [ 0.0014615000000000, -0.0000317700000000, 0.0001281800000000 ] - [ 0.0018822300000000, 0.0002357200000000, -0.0003034800000000 ] - [ 0.0026302500000000, -0.0001827000000000, -0.0012065800000000 ] - [ 0.0050515500000000, 0.0002709000000000, 0.0042163300000000 ] - [ 0.0044061600000000, -0.0004950000000000, -0.0027023700000000 ] - [ 0.0006857000000000, 0.0003171700000000, -0.0015918300000000 ] - [ 0.0009908900000000, -0.0001877700000000, -0.0001972800000000 ] - [ 0.0005253200000000, -0.0007065700000000, -0.0000866300000000 ] - [ 0.0013079700000000, 0.0004546100000000, -0.0002538200000000 ] - [ 0.0027095700000000, 0.0023719300000000, -0.0056911300000000 ] - [ 0.0014094700000000, -0.0005734800000000, 0.0000232100000000 ] - [ 0.0022749400000000, 0.0028431600000000, -0.0029902900000000 ] - [ 0.0009276800000000, -0.0006811000000000, -0.0001684900000000 ] - [ -0.0016606000000000, -0.0004650100000000, 0.0026963800000000 ] - [ 0.0021487200000000, -0.0003269800000000, -0.0005726300000000 ] - [ -0.0021408800000000, 0.0008143000000000, -0.0011557100000000 ] - [ 0.0019217100000000, -0.0008086800000000, 0.0000298200000000 ] - [ 0.0066520500000000, -0.0130614300000000, -0.0013027000000000 ] - [ 0.0031859500000000, 0.0000162200000000, -0.0002219100000000 ] - [ -0.0038768600000000, 0.0006358300000000, -0.0000499500000000 ] - [ 0.0029195900000000, -0.0005298600000000, 0.0000081300000000 ] - [ -0.0014205300000000, -0.0096121700000000, 0.0019005600000000 ] - [ 0.0017634900000000, -0.0003458800000000, -0.0001338600000000 ] - [ -0.0042300600000000, 0.0009142000000000, -0.0021942500000000 ] - [ 0.0020142000000000, -0.0003092600000000, 0.0003730500000000 ] - [ -0.0018367300000000, -0.0006954700000000, 0.0008911800000000 ] - [ 0.0009404100000000, -0.0002587700000000, 0.0001955800000000 ] - [ -0.0052084300000000, -0.0043396000000000, 0.0070444200000000 ] - [ 0.0009372900000000, -0.0001523900000000, 0.0001100800000000 ] - [ -0.1290313800000000, -0.0036986100000000, -0.0106828500000000 ] - [ 0.0024851800000000, -0.0008296200000000, 0.0002312200000000 ] - [ -0.0059278300000000, -0.0010736000000000, 0.0003189300000000 ] - [ 0.0017963100000000, -0.0000017400000000, 0.0005928200000000 ] - [ -0.0118082000000000, -0.0024254600000000, -0.0065136200000000 ] - [ 0.0027078200000000, 0.0000546400000000, 0.0004182700000000 ] - [ -0.0054444900000000, -0.0009775500000000, -0.0019714200000000 ] - [ 0.0025562300000000, 0.0001070300000000, 0.0003223600000000 ] - [ 0.0072618500000000, 0.0250069500000000, 0.0050832900000000 ] - [ 0.0020946100000000, -0.0001910400000000, 0.0004379700000000 ] - [ -0.0060487100000000, -0.0044952600000000, -0.0010472000000000 ] - [ 0.0021761800000000, 0.0004995800000000, 0.0000909100000000 ] - [ 0.0036776000000000, -0.0174837800000000, -0.0060312300000000 ] - [ 0.0008852100000000, 0.0003886500000000, 0.0001471500000000 ] - [ 0.0046919100000000, 0.0049419400000000, 0.0161022100000000 ] - [ 0.0012810400000000, 0.0001118700000000, 0.0000037600000000 ] - [ -0.0021807900000000, 0.0009738600000000, 0.0012251800000000 ] - [ 0.0020532200000000, 0.0001041500000000, 0.0002297100000000 ] - [ 0.0044914100000000, -0.0028626200000000, -0.0124974000000000 ] - [ 0.0020397500000000, 0.0003204600000000, 0.0001764000000000 ] - [ -0.0019030300000000, 0.0011759200000000, 0.0006764200000000 ] - [ 0.0024383200000000, 0.0003886000000000, -0.0001542400000000 ]- atom: 87 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ -0.0067247700000000, -0.0013127100000000, -0.0008543900000000 ] - [ 0.0011970200000000, -0.0001032700000000, 0.0001873700000000 ] - [ -0.0070746100000000, 0.0007922900000000, -0.0029949800000000 ] - [ 0.0010205900000000, 0.0004698400000000, -0.0002201100000000 ] - [ -0.0012825900000000, 0.0004823100000000, 0.0001455200000000 ] - [ 0.0006800000000000, -0.0001854000000000, -0.0004031900000000 ] - [ -0.0001476000000000, 0.0012339100000000, -0.0009536800000000 ] - [ 0.0011959600000000, 0.0001113900000000, 0.0002099400000000 ] - [ -0.0000777700000000, -0.0023871400000000, 0.0018956900000000 ] - [ 0.0020107000000000, 0.0001991400000000, -0.0003991500000000 ] - [ 0.0030735200000000, 0.0021152800000000, 0.0022341700000000 ] - [ 0.0058274500000000, -0.0008503100000000, -0.0025090800000000 ] - [ 0.0008384800000000, -0.0001786600000000, 0.0002318400000000 ] - [ 0.0012187000000000, -0.0005580500000000, -0.0002188600000000 ] - [ -0.0014917900000000, -0.0001960800000000, -0.0007876700000000 ] - [ 0.0016547000000000, 0.0000502200000000, -0.0002811100000000 ] - [ -0.0064886400000000, -0.0018595100000000, 0.0007817600000000 ] - [ 0.0018684000000000, -0.0002399700000000, 0.0000955500000000 ] - [ -0.0062633300000000, 0.0019645000000000, -0.0000288400000000 ] - [ 0.0019974700000000, 0.0002988900000000, 0.0000948400000000 ] - [ 0.0008047100000000, 0.0004289800000000, -0.0000213400000000 ] - [ 0.0036949100000000, 0.0008770100000000, -0.0019468400000000 ] - [ 0.0002331000000000, 0.0017127500000000, -0.0016733700000000 ] - [ 0.0024462300000000, -0.0005747400000000, 0.0003050600000000 ] - [ 0.0059731400000000, -0.0003166900000000, -0.0117550400000000 ] - [ 0.0056434400000000, 0.0008183700000000, -0.0006025700000000 ] - [ 0.0023789700000000, -0.0040586100000000, 0.0012584600000000 ] - [ 0.0034106100000000, -0.0008298600000000, -0.0010979800000000 ] - [ 0.0000660700000000, 0.0034046700000000, -0.0053374000000000 ] - [ 0.0030050000000000, -0.0010958700000000, 0.0003684700000000 ] - [ -0.0021515100000000, 0.0000563000000000, -0.0000538300000000 ] - [ 0.0041903700000000, -0.0007733100000000, -0.0024694300000000 ] - [ -0.0247281900000000, -0.0154898300000000, 0.0000361700000000 ] - [ 0.0044034400000000, -0.0015262500000000, 0.0008509000000000 ] - [ -0.0083745800000000, -0.0052056000000000, 0.0049811100000000 ] - [ 0.0036189300000000, 0.0001288800000000, -0.0003510600000000 ] - [ -0.0075248300000000, 0.0004426200000000, -0.0023230800000000 ] - [ 0.0042367600000000, -0.0012649100000000, 0.0012769800000000 ] - [ -0.0113819000000000, 0.0079504900000000, 0.0062740900000000 ] - [ 0.0040710900000000, 0.0009123500000000, 0.0012738400000000 ] - [ -0.0380151400000000, 0.0064812300000000, -0.0049706100000000 ] - [ 0.0046323700000000, -0.0001107700000000, -0.0002599000000000 ] - [ -0.0076982500000000, -0.0098882900000000, -0.0106557100000000 ] - [ 0.0039667200000000, 0.0015959400000000, 0.0007855800000000 ] - [ 0.0007048500000000, 0.0027876100000000, 0.0013211700000000 ] - [ -0.0025551300000000, -0.0012003200000000, 0.0000596700000000 ] - [ 0.0003927800000000, -0.0016887400000000, -0.0006852300000000 ] - [ -0.0022260100000000, -0.0001859700000000, 0.0002947500000000 ] - [ -0.0221550000000000, -0.0044833200000000, 0.0084578900000000 ] - [ -0.0036235100000000, -0.0005256200000000, 0.0003638600000000 ] - [ -0.0001390300000000, -0.0023985000000000, 0.0023318800000000 ] - [ -0.0008774700000000, 0.0003100700000000, -0.0002437900000000 ] - [ -0.0000158000000000, -0.0006935000000000, 0.0000839000000000 ] - [ -0.0006868500000000, 0.0001653700000000, 0.0004180400000000 ] - [ -0.0012814500000000, 0.0006761200000000, -0.0003373500000000 ] - [ -0.0016555900000000, -0.0004118300000000, 0.0004089900000000 ] - [ -0.0016100800000000, -0.0003346800000000, 0.0016078700000000 ] - [ -0.0013222000000000, 0.0001617900000000, 0.0000127300000000 ] - [ -0.0018943700000000, -0.0002180300000000, 0.0001577300000000 ] - [ -0.0026154800000000, 0.0001989400000000, 0.0010460700000000 ] - [ -0.0050057000000000, -0.0002543600000000, -0.0040780800000000 ] - [ -0.0043379600000000, 0.0005067000000000, 0.0028165100000000 ] - [ -0.0007885000000000, -0.0001957700000000, 0.0014411100000000 ] - [ -0.0011138700000000, 0.0003103800000000, 0.0000546400000000 ] - [ -0.0006287200000000, 0.0006950300000000, 0.0001902300000000 ] - [ -0.0014256800000000, -0.0004586700000000, 0.0003555700000000 ] - [ -0.0028111800000000, -0.0020440500000000, 0.0056898800000000 ] - [ -0.0014986000000000, 0.0008910800000000, -0.0000369400000000 ] - [ -0.0021402100000000, -0.0028901800000000, 0.0028138200000000 ] - [ -0.0007974300000000, 0.0006516000000000, 0.0000018300000000 ] - [ 0.0018129500000000, 0.0002349300000000, -0.0026587800000000 ] - [ -0.0019943400000000, 0.0001049100000000, 0.0005950100000000 ] - [ 0.0020206300000000, -0.0007706800000000, 0.0012350500000000 ] - [ -0.0020238600000000, 0.0008437900000000, 0.0000557900000000 ] - [ -0.0068206100000000, 0.0130378000000000, 0.0012246200000000 ] - [ -0.0033247700000000, -0.0001704900000000, 0.0001355800000000 ] - [ 0.0039324500000000, -0.0005861300000000, 0.0002386400000000 ] - [ -0.0028277400000000, 0.0005680900000000, 0.0001839500000000 ] - [ 0.0014150000000000, 0.0091838100000000, -0.0020570900000000 ] - [ -0.0017079200000000, 0.0001716800000000, -0.0000475900000000 ] - [ 0.0040905900000000, -0.0009736200000000, 0.0022373800000000 ] - [ -0.0021296700000000, 0.0002275100000000, -0.0002898200000000 ] - [ 0.0016392500000000, 0.0006416800000000, -0.0008222900000000 ] - [ -0.0011182200000000, 0.0002232400000000, -0.0001447500000000 ] - [ 0.0052566600000000, 0.0042083900000000, -0.0068637400000000 ] - [ -0.0008498600000000, 0.0001772000000000, -0.0000893100000000 ] - [ 0.1239466600000000, 0.0045624700000000, 0.0107500700000000 ] - [ -0.0025659200000000, 0.0005371200000000, -0.0001033600000000 ] - [ 0.0056474100000000, 0.0010337000000000, -0.0002230400000000 ] - [ -0.0020009800000000, -0.0000232800000000, -0.0005223100000000 ] - [ 0.0117726300000000, 0.0024567400000000, 0.0064790100000000 ] - [ -0.0025790600000000, 0.0000913100000000, -0.0002731300000000 ] - [ 0.0052745000000000, 0.0011061500000000, 0.0018138100000000 ] - [ -0.0026423800000000, 0.0000380400000000, -0.0004573100000000 ] - [ -0.0069845400000000, -0.0246106700000000, -0.0050968000000000 ] - [ -0.0018528900000000, 0.0001686000000000, -0.0005004100000000 ] - [ 0.0060709500000000, 0.0041509500000000, 0.0009125300000000 ] - [ -0.0020565100000000, -0.0007766800000000, -0.0002156300000000 ] - [ -0.0037829800000000, 0.0171872000000000, 0.0059341700000000 ] - [ -0.0009553900000000, -0.0003679800000000, -0.0001719400000000 ] - [ -0.0044932300000000, -0.0049039100000000, -0.0158382600000000 ] - [ -0.0010844600000000, -0.0001447000000000, -0.0000482300000000 ] - [ 0.0022745000000000, -0.0010353600000000, -0.0012982600000000 ] - [ -0.0018983700000000, -0.0001797500000000, -0.0003046000000000 ] - [ -0.0045283300000000, 0.0026544200000000, 0.0124657900000000 ] - [ -0.0020639300000000, -0.0004939100000000, 0.0000012300000000 ] - [ 0.0017876900000000, -0.0011275200000000, -0.0008615500000000 ] - [ -0.0024810500000000, -0.0003377000000000, -0.0000392400000000 ]- atom: 87 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001060600000000, 0.0041048300000000, 0.0006931500000000 ] - [ 0.0003875100000000, -0.0000122000000000, 0.0001241300000000 ] - [ -0.0017775700000000, 0.0055194200000000, 0.0056034000000000 ] - [ 0.0003760600000000, 0.0002537900000000, 0.0000032700000000 ] - [ -0.0006122500000000, -0.0004048500000000, -0.0002598200000000 ] - [ 0.0001679700000000, -0.0000076800000000, -0.0002485600000000 ] - [ -0.0013110400000000, -0.0004638200000000, 0.0010827400000000 ] - [ 0.0007854300000000, 0.0002595000000000, 0.0002807800000000 ] - [ 0.0007250100000000, -0.0009116300000000, 0.0008306700000000 ] - [ 0.0003309900000000, -0.0000515300000000, -0.0001576600000000 ] - [ 0.0006256000000000, 0.0016933100000000, 0.0011861800000000 ] - [ 0.0017550100000000, 0.0037801600000000, -0.0017489800000000 ] - [ 0.0005477700000000, -0.0011601900000000, 0.0004769000000000 ] - [ 0.0006318100000000, -0.0007654500000000, -0.0003811400000000 ] - [ 0.0015084900000000, -0.0010978000000000, -0.0018656200000000 ] - [ 0.0002825300000000, 0.0000509100000000, -0.0001599300000000 ] - [ -0.0023177000000000, -0.0086978200000000, 0.0003134600000000 ] - [ 0.0005950000000000, -0.0002087000000000, 0.0000903000000000 ] - [ -0.0026177700000000, 0.0054105700000000, -0.0003296800000000 ] - [ 0.0005854800000000, 0.0002378600000000, -0.0000555700000000 ] - [ -0.0018377200000000, -0.0019098800000000, -0.0000221800000000 ] - [ 0.0021555300000000, -0.0010582800000000, -0.0024447000000000 ] - [ -0.0018422700000000, 0.0015768800000000, -0.0018978100000000 ] - [ 0.0008627300000000, 0.0008223300000000, -0.0003428000000000 ] - [ 0.0039790800000000, 0.0021006100000000, -0.0057056600000000 ] - [ -0.0012399300000000, 0.0011056900000000, 0.0005895900000000 ] - [ 0.0079199900000000, -0.0140260800000000, -0.0014170500000000 ] - [ 0.0004191100000000, -0.0005990700000000, 0.0001132800000000 ] - [ -0.0047289900000000, -0.0041502300000000, 0.0009862800000000 ] - [ 0.0008431700000000, -0.0009516300000000, 0.0000706600000000 ] - [ -0.0008100400000000, 0.0022381000000000, -0.0001739400000000 ] - [ 0.0014688500000000, 0.0003307900000000, -0.0016084900000000 ] - [ -0.0125068400000000, 0.1245829500000000, 0.0002352100000000 ] - [ 0.0012647600000000, -0.0002392400000000, 0.0004350500000000 ] - [ -0.0048185700000000, -0.0151850800000000, 0.0111928400000000 ] - [ 0.0010152100000000, -0.0000569100000000, -0.0001090700000000 ] - [ -0.0021396000000000, -0.0027873300000000, 0.0012553100000000 ] - [ 0.0013522600000000, -0.0005504100000000, 0.0002049400000000 ] - [ -0.0112801200000000, 0.0072261800000000, -0.0080738500000000 ] - [ 0.0014963000000000, 0.0007343500000000, 0.0004253900000000 ] - [ 0.0299722600000000, 0.0263804300000000, 0.0008907500000000 ] - [ 0.0009687700000000, 0.0001326400000000, 0.0002612500000000 ] - [ -0.0001688300000000, -0.0089056800000000, -0.0103032200000000 ] - [ 0.0008823500000000, 0.0000402900000000, 0.0002263900000000 ] - [ -0.0012410200000000, 0.0006813900000000, 0.0011363200000000 ] - [ -0.0003813900000000, 0.0001087600000000, 0.0000433400000000 ] - [ 0.0022358300000000, -0.0007463500000000, 0.0007600200000000 ] - [ -0.0011453700000000, -0.0002417800000000, 0.0005955100000000 ] - [ -0.0110367100000000, -0.0021527700000000, 0.0036188900000000 ] - [ -0.0007745700000000, -0.0008614900000000, -0.0004316900000000 ] - [ 0.0003725300000000, -0.0023437500000000, 0.0013508200000000 ] - [ -0.0004332700000000, -0.0008297800000000, -0.0000865400000000 ] - [ 0.0003969800000000, 0.0001560800000000, 0.0004722100000000 ] - [ -0.0003270500000000, -0.0000192200000000, 0.0003536600000000 ] - [ -0.0004213400000000, 0.0012649800000000, -0.0001521500000000 ] - [ 0.0006372100000000, 0.0013912700000000, 0.0001298000000000 ] - [ -0.0006879100000000, -0.0009275000000000, 0.0011473100000000 ] - [ 0.0004584300000000, -0.0004541300000000, 0.0001115700000000 ] - [ 0.0003887200000000, 0.0006777600000000, -0.0002905200000000 ] - [ -0.0031040900000000, 0.0009570700000000, 0.0017958400000000 ] - [ 0.0020877600000000, -0.0012327900000000, 0.0014193100000000 ] - [ -0.0024591700000000, 0.0001439700000000, 0.0018363900000000 ] - [ -0.0012436000000000, 0.0029543900000000, 0.0015001600000000 ] - [ 0.0001819000000000, 0.0004367700000000, -0.0000600700000000 ] - [ -0.0008716900000000, -0.0015778700000000, 0.0003348300000000 ] - [ 0.0000755700000000, -0.0007874500000000, 0.0002827700000000 ] - [ 0.0018898600000000, -0.0004314900000000, -0.0014262600000000 ] - [ -0.0005601700000000, 0.0004933400000000, 0.0000462600000000 ] - [ 0.0036376500000000, 0.0094342700000000, 0.0004943500000000 ] - [ -0.0002253500000000, 0.0005562200000000, -0.0001154800000000 ] - [ -0.0010579500000000, 0.0017914700000000, -0.0019093300000000 ] - [ -0.0004778500000000, 0.0000731700000000, -0.0000005600000000 ] - [ 0.0010183100000000, 0.0004121300000000, -0.0001439500000000 ] - [ -0.0007099900000000, 0.0003859000000000, 0.0002036900000000 ] - [ -0.0181571800000000, 0.0093305800000000, 0.0023863100000000 ] - [ -0.0009162700000000, -0.0003263200000000, -0.0000864600000000 ] - [ 0.0008483400000000, -0.0013382500000000, -0.0002146200000000 ] - [ -0.0009390000000000, 0.0001908200000000, 0.0002171700000000 ] - [ 0.0002891800000000, 0.0250299000000000, -0.0036630700000000 ] - [ -0.0003604800000000, -0.0000208500000000, -0.0001485600000000 ] - [ 0.0023594400000000, 0.0043557900000000, -0.0046104500000000 ] - [ -0.0006497000000000, 0.0001339200000000, 0.0000353100000000 ] - [ 0.0005439100000000, 0.0041968000000000, -0.0023650900000000 ] - [ -0.0003707900000000, 0.0001521100000000, -0.0000004600000000 ] - [ 0.0030144800000000, 0.0096732700000000, -0.0176573000000000 ] - [ -0.0002160600000000, 0.0000106500000000, -0.0000560000000000 ] - [ -0.0035104900000000, -0.2114222500000000, -0.0068045500000000 ] - [ -0.0007425400000000, -0.0001144400000000, -0.0000395900000000 ] - [ 0.0014238200000000, 0.0082869100000000, 0.0022644700000000 ] - [ -0.0006252900000000, 0.0001089300000000, -0.0001145100000000 ] - [ 0.0076429000000000, 0.0037559500000000, 0.0150091800000000 ] - [ -0.0007925200000000, 0.0000073100000000, -0.0000633100000000 ] - [ 0.0012454500000000, 0.0008968300000000, 0.0012082000000000 ] - [ -0.0007406500000000, 0.0001452600000000, -0.0001468400000000 ] - [ 0.0261105200000000, 0.0050977700000000, 0.0053266100000000 ] - [ -0.0005288300000000, -0.0001876000000000, -0.0002438800000000 ] - [ 0.0044040000000000, 0.0057314300000000, -0.0003578900000000 ] - [ -0.0005956400000000, -0.0001298700000000, -0.0001594500000000 ] - [ -0.0126848900000000, 0.0123280100000000, 0.0064063500000000 ] - [ -0.0002917900000000, 0.0000104500000000, -0.0001376900000000 ] - [ -0.0043394700000000, -0.0087116500000000, -0.0084446300000000 ] - [ -0.0001763000000000, -0.0002529200000000, -0.0000857000000000 ] - [ 0.0027887900000000, -0.0010880900000000, 0.0017001500000000 ] - [ -0.0005809600000000, -0.0002425400000000, 0.0000369900000000 ] - [ -0.0047606000000000, -0.0011371000000000, 0.0068014600000000 ] - [ -0.0002332500000000, -0.0001665600000000, -0.0000139700000000 ] - [ 0.0024726900000000, 0.0021246300000000, 0.0006684000000000 ] - [ -0.0011549400000000, -0.0001215400000000, 0.0000707100000000 ]- atom: 87 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007458600000000, -0.0041281800000000, -0.0010119900000000 ] - [ -0.0006533900000000, 0.0003272700000000, -0.0001304800000000 ] - [ 0.0019326700000000, -0.0052975300000000, -0.0052504000000000 ] - [ -0.0001750500000000, 0.0000073300000000, 0.0002201400000000 ] - [ 0.0004048300000000, 0.0006653700000000, 0.0000390100000000 ] - [ -0.0003568100000000, 0.0002638200000000, 0.0000196400000000 ] - [ 0.0015755700000000, 0.0007938000000000, -0.0010754600000000 ] - [ -0.0004981400000000, 0.0000612500000000, -0.0002650500000000 ] - [ -0.0005396900000000, 0.0009034700000000, -0.0008103400000000 ] - [ -0.0001409200000000, 0.0000706700000000, 0.0001516900000000 ] - [ -0.0007825500000000, -0.0017241300000000, -0.0010662200000000 ] - [ -0.0019307400000000, -0.0037787600000000, 0.0018281900000000 ] - [ -0.0003530200000000, 0.0010963300000000, -0.0005671200000000 ] - [ -0.0004451700000000, 0.0007113200000000, 0.0002826600000000 ] - [ -0.0016877300000000, 0.0011257300000000, 0.0018527700000000 ] - [ -0.0004536200000000, -0.0000261400000000, 0.0001581800000000 ] - [ 0.0022230000000000, 0.0087098100000000, -0.0002494100000000 ] - [ -0.0006095100000000, 0.0002375300000000, 0.0000091900000000 ] - [ 0.0026157300000000, -0.0053077200000000, 0.0001840000000000 ] - [ -0.0005455500000000, -0.0002023800000000, -0.0000412000000000 ] - [ 0.0020976000000000, 0.0019861400000000, -0.0000052200000000 ] - [ -0.0018456700000000, 0.0011314700000000, 0.0023759000000000 ] - [ 0.0018642600000000, -0.0017440100000000, 0.0017745400000000 ] - [ -0.0008199900000000, -0.0009955400000000, 0.0002315900000000 ] - [ -0.0044180800000000, -0.0022576900000000, 0.0055172000000000 ] - [ 0.0007163800000000, -0.0012339900000000, -0.0006629300000000 ] - [ -0.0072946000000000, 0.0137432500000000, 0.0014838100000000 ] - [ 0.0001056900000000, 0.0004511900000000, -0.0000358500000000 ] - [ 0.0046890400000000, 0.0038867900000000, -0.0009279800000000 ] - [ -0.0008549100000000, 0.0007474100000000, 0.0000367800000000 ] - [ 0.0005287200000000, -0.0021420100000000, 0.0001902600000000 ] - [ -0.0017066500000000, -0.0002552300000000, 0.0016128200000000 ] - [ 0.0113243100000000, -0.1158654700000000, -0.0001961600000000 ] - [ -0.0011943600000000, 0.0001406400000000, -0.0002147900000000 ] - [ 0.0048475700000000, 0.0150666500000000, -0.0113014200000000 ] - [ -0.0008923000000000, 0.0000502100000000, -0.0001490800000000 ] - [ 0.0023821700000000, 0.0027926300000000, -0.0014172500000000 ] - [ -0.0010471100000000, 0.0005959100000000, -0.0003646900000000 ] - [ 0.0109253800000000, -0.0070409400000000, 0.0082571700000000 ] - [ -0.0017389900000000, -0.0006640500000000, -0.0002494300000000 ] - [ -0.0297170200000000, -0.0264364200000000, -0.0006542700000000 ] - [ -0.0010458700000000, -0.0001373500000000, 0.0000007000000000 ] - [ 0.0000518800000000, 0.0086682100000000, 0.0100797000000000 ] - [ -0.0008971300000000, -0.0001296800000000, -0.0004328200000000 ] - [ 0.0014290400000000, -0.0007943700000000, -0.0010480400000000 ] - [ 0.0005308300000000, -0.0002643200000000, 0.0000429200000000 ] - [ -0.0021051700000000, 0.0007667800000000, -0.0008435300000000 ] - [ 0.0012437000000000, 0.0002765000000000, -0.0006684900000000 ] - [ 0.0107220200000000, 0.0018391100000000, -0.0035777500000000 ] - [ 0.0006242500000000, 0.0006310300000000, 0.0003935300000000 ] - [ -0.0004914100000000, 0.0022963300000000, -0.0011662300000000 ] - [ 0.0003056900000000, 0.0007978800000000, 0.0002499200000000 ] - [ -0.0002899800000000, 0.0001566000000000, -0.0004513600000000 ] - [ 0.0004236100000000, 0.0003351000000000, -0.0003266600000000 ] - [ 0.0005350100000000, -0.0012630800000000, 0.0000464100000000 ] - [ -0.0005203700000000, -0.0013880000000000, -0.0002286900000000 ] - [ 0.0007987200000000, 0.0010512700000000, -0.0009937500000000 ] - [ -0.0003270000000000, 0.0005752700000000, 0.0000348200000000 ] - [ -0.0004111700000000, -0.0006623900000000, 0.0001445300000000 ] - [ 0.0030295100000000, -0.0009309300000000, -0.0019122100000000 ] - [ -0.0020292300000000, 0.0012516000000000, -0.0012420300000000 ] - [ 0.0024416800000000, -0.0001198600000000, -0.0016646300000000 ] - [ 0.0011022000000000, -0.0028017800000000, -0.0016157000000000 ] - [ -0.0003106900000000, -0.0003068300000000, -0.0000812800000000 ] - [ 0.0007432500000000, 0.0015444700000000, -0.0002265900000000 ] - [ -0.0002066200000000, 0.0007663400000000, -0.0001747700000000 ] - [ -0.0019583400000000, 0.0007890500000000, 0.0013891800000000 ] - [ 0.0004446400000000, -0.0001601600000000, -0.0000636700000000 ] - [ -0.0035439500000000, -0.0094045100000000, -0.0006283800000000 ] - [ 0.0003430400000000, -0.0005689500000000, -0.0000507900000000 ] - [ 0.0011832500000000, -0.0019946000000000, 0.0019056900000000 ] - [ 0.0006041500000000, -0.0002921600000000, 0.0000312900000000 ] - [ -0.0011304000000000, -0.0003523200000000, 0.0002336600000000 ] - [ 0.0005799600000000, -0.0003349000000000, -0.0001174500000000 ] - [ 0.0176618600000000, -0.0094419800000000, -0.0024231600000000 ] - [ 0.0007242400000000, 0.0001607200000000, 0.0000017300000000 ] - [ -0.0007656100000000, 0.0013909200000000, 0.0003997000000000 ] - [ 0.0009840900000000, -0.0001443100000000, -0.0000222300000000 ] - [ -0.0002400100000000, -0.0247765400000000, 0.0034304200000000 ] - [ 0.0003908100000000, -0.0001519800000000, -0.0000326800000000 ] - [ -0.0024771700000000, -0.0044218100000000, 0.0047191900000000 ] - [ 0.0005027500000000, -0.0002100700000000, 0.0000447500000000 ] - [ -0.0007191400000000, -0.0041980900000000, 0.0023707300000000 ] - [ 0.0001771400000000, -0.0001830900000000, 0.0000497000000000 ] - [ -0.0028766400000000, -0.0096403200000000, 0.0174040000000000 ] - [ 0.0002904900000000, 0.0000143400000000, 0.0000759700000000 ] - [ 0.0047346800000000, 0.2024976000000000, 0.0073920100000000 ] - [ 0.0006242600000000, -0.0001700200000000, 0.0001641600000000 ] - [ -0.0016148500000000, -0.0082565600000000, -0.0022171400000000 ] - [ 0.0003916200000000, -0.0001306700000000, 0.0001771200000000 ] - [ -0.0074473900000000, -0.0036542800000000, -0.0146805300000000 ] - [ 0.0008797100000000, 0.0001370300000000, 0.0002012600000000 ] - [ -0.0013156900000000, -0.0007316200000000, -0.0013483100000000 ] - [ 0.0006144600000000, 0.0000012700000000, 0.0000077200000000 ] - [ -0.0255817300000000, -0.0052041600000000, -0.0053684400000000 ] - [ 0.0007396800000000, 0.0001633700000000, 0.0001723400000000 ] - [ -0.0042388500000000, -0.0059590000000000, 0.0002287900000000 ] - [ 0.0006827600000000, -0.0001532000000000, 0.0000318400000000 ] - [ 0.0128134400000000, -0.0123512300000000, -0.0064549000000000 ] - [ 0.0002074400000000, 0.0000093700000000, 0.0001099800000000 ] - [ 0.0044181900000000, 0.0086422400000000, 0.0082432200000000 ] - [ 0.0003569900000000, 0.0002138700000000, 0.0000372600000000 ] - [ -0.0026216200000000, 0.0009944800000000, -0.0017821600000000 ] - [ 0.0007041600000000, 0.0001606100000000, -0.0001144500000000 ] - [ 0.0046139800000000, 0.0010289300000000, -0.0065079200000000 ] - [ 0.0001868800000000, -0.0000108700000000, 0.0001903800000000 ] - [ -0.0025183600000000, -0.0020913300000000, -0.0008561900000000 ] - [ 0.0010628400000000, 0.0001612000000000, -0.0002605000000000 ]- atom: 87 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ 0.0024479300000000, 0.0032350600000000, 0.0068521800000000 ] - [ -0.0001387800000000, 0.0001215300000000, 0.0000820200000000 ] - [ 0.0014353200000000, 0.0013197900000000, -0.0005345000000000 ] - [ 0.0000448800000000, 0.0001177100000000, 0.0001140300000000 ] - [ 0.0000476200000000, -0.0000837300000000, -0.0006450300000000 ] - [ -0.0001240600000000, 0.0001415000000000, -0.0001385100000000 ] - [ 0.0002984700000000, -0.0000085300000000, 0.0005506100000000 ] - [ 0.0000760800000000, 0.0001822800000000, 0.0000526200000000 ] - [ -0.0004969900000000, 0.0010264400000000, -0.0015292100000000 ] - [ 0.0002455300000000, -0.0000648200000000, -0.0001734100000000 ] - [ -0.0006175200000000, 0.0000398900000000, 0.0003463700000000 ] - [ 0.0011319300000000, -0.0005828100000000, 0.0007446800000000 ] - [ -0.0001430800000000, -0.0000166800000000, -0.0004171700000000 ] - [ 0.0002846700000000, -0.0002785500000000, -0.0003345400000000 ] - [ 0.0010255500000000, -0.0006300200000000, -0.0013347600000000 ] - [ -0.0002499200000000, 0.0000565500000000, -0.0000854900000000 ] - [ -0.0001867200000000, 0.0007754700000000, 0.0013052100000000 ] - [ -0.0000864600000000, -0.0000080300000000, 0.0000969000000000 ] - [ 0.0023094200000000, 0.0015408100000000, -0.0057898300000000 ] - [ -0.0000707100000000, 0.0000579400000000, -0.0000895500000000 ] - [ -0.0010705100000000, -0.0008384400000000, 0.0000965800000000 ] - [ 0.0004136800000000, 0.0004478300000000, 0.0000567500000000 ] - [ -0.0006072000000000, 0.0002873100000000, -0.0017161500000000 ] - [ -0.0000264900000000, 0.0000535300000000, -0.0006017100000000 ] - [ 0.0039648400000000, 0.0010563400000000, 0.0001401300000000 ] - [ -0.0023619900000000, 0.0000144800000000, 0.0003731100000000 ] - [ -0.0007538500000000, 0.0004752200000000, 0.0013642700000000 ] - [ -0.0001590000000000, -0.0001070000000000, 0.0004628800000000 ] - [ 0.0022619800000000, 0.0028847700000000, 0.0004203400000000 ] - [ -0.0005595900000000, -0.0003165400000000, -0.0000201500000000 ] - [ 0.0001618000000000, -0.0000013800000000, -0.0049914100000000 ] - [ -0.0001397300000000, 0.0002493700000000, -0.0008457400000000 ] - [ -0.0007941900000000, -0.0039112300000000, 0.0153917200000000 ] - [ -0.0002853900000000, 0.0001275600000000, 0.0001732800000000 ] - [ -0.0000858000000000, 0.0038036300000000, -0.0014799700000000 ] - [ -0.0001579800000000, -0.0000509400000000, -0.0000671500000000 ] - [ -0.0004720700000000, 0.0006423600000000, -0.0064661800000000 ] - [ 0.0000056400000000, -0.0000360800000000, -0.0003037700000000 ] - [ -0.0052618900000000, -0.0044521600000000, -0.0001806800000000 ] - [ -0.0001817700000000, 0.0001132100000000, 0.0000321000000000 ] - [ -0.0012689300000000, 0.0000568000000000, 0.0186748800000000 ] - [ -0.0003776000000000, 0.0000453300000000, 0.0003647300000000 ] - [ 0.0019263000000000, -0.0030846500000000, 0.0000151000000000 ] - [ -0.0004005400000000, -0.0002540800000000, -0.0001378600000000 ] - [ -0.0012192600000000, 0.0004227600000000, 0.0002304300000000 ] - [ 0.0004512900000000, 0.0001885900000000, 0.0000678100000000 ] - [ 0.0016445800000000, 0.0009836900000000, 0.0004355200000000 ] - [ -0.0000259900000000, 0.0000036200000000, 0.0000753500000000 ] - [ 0.0014470100000000, 0.0000770300000000, -0.0000632100000000 ] - [ 0.0001614700000000, -0.0001085500000000, -0.0005963800000000 ] - [ -0.0002768700000000, -0.0007142500000000, 0.0007475200000000 ] - [ 0.0000713000000000, -0.0002799000000000, 0.0003984600000000 ] - [ 0.0001495800000000, 0.0002868300000000, 0.0005329500000000 ] - [ 0.0000876900000000, 0.0000685700000000, 0.0002133300000000 ] - [ 0.0005761900000000, 0.0001016100000000, 0.0000251000000000 ] - [ -0.0005211600000000, -0.0004530000000000, 0.0000527400000000 ] - [ 0.0000809600000000, -0.0001977800000000, 0.0011331500000000 ] - [ 0.0001456100000000, 0.0000750700000000, 0.0008457100000000 ] - [ 0.0003289700000000, 0.0001467500000000, -0.0005539100000000 ] - [ 0.0002046600000000, -0.0000453000000000, -0.0004022900000000 ] - [ 0.0032976300000000, -0.0000327300000000, 0.0032376600000000 ] - [ -0.0010302800000000, 0.0000930400000000, 0.0008382500000000 ] - [ -0.0004767700000000, -0.0003482400000000, -0.0004634900000000 ] - [ 0.0003940900000000, 0.0001849800000000, -0.0001204700000000 ] - [ -0.0002156500000000, -0.0000967600000000, 0.0006938800000000 ] - [ 0.0001524200000000, -0.0002666700000000, 0.0002058100000000 ] - [ -0.0032183100000000, -0.0013478500000000, 0.0033801900000000 ] - [ 0.0001182900000000, 0.0002004100000000, 0.0002483500000000 ] - [ -0.0000372100000000, -0.0007239300000000, -0.0017176300000000 ] - [ 0.0001149900000000, 0.0000459100000000, -0.0002081400000000 ] - [ 0.0011602500000000, -0.0002195300000000, -0.0006625100000000 ] - [ 0.0001265900000000, -0.0000500000000000, -0.0001774300000000 ] - [ -0.0000751100000000, -0.0000573800000000, 0.0010113400000000 ] - [ -0.0000102600000000, 0.0000922300000000, 0.0002500200000000 ] - [ 0.0001815600000000, 0.0009861100000000, -0.0021262300000000 ] - [ 0.0002010400000000, -0.0001148700000000, -0.0001492700000000 ] - [ -0.0000728700000000, 0.0000037900000000, 0.0030680300000000 ] - [ 0.0000405600000000, 0.0000406400000000, 0.0002231900000000 ] - [ 0.0005061700000000, -0.0009973000000000, 0.0007273000000000 ] - [ 0.0001714400000000, -0.0001054700000000, -0.0001631700000000 ] - [ -0.0009217400000000, -0.0028428500000000, 0.0041756800000000 ] - [ 0.0001128500000000, -0.0000074300000000, 0.0001692600000000 ] - [ -0.0000502800000000, -0.0001511900000000, 0.0022964400000000 ] - [ -0.0000351900000000, 0.0000037600000000, 0.0000697000000000 ] - [ -0.0004382000000000, -0.0118824900000000, 0.0056094600000000 ] - [ 0.0000855000000000, -0.0000171500000000, -0.0000370200000000 ] - [ -0.0097176700000000, -0.0067151200000000, -0.0542556100000000 ] - [ 0.0000969600000000, -0.0002411100000000, 0.0000246300000000 ] - [ -0.0009720800000000, 0.0013439000000000, 0.0035021100000000 ] - [ -0.0000046000000000, 0.0000436200000000, 0.0000935300000000 ] - [ 0.0035037700000000, 0.0108509600000000, 0.0060035700000000 ] - [ 0.0001548400000000, 0.0000408500000000, 0.0000730400000000 ] - [ -0.0001944500000000, -0.0000104200000000, 0.0011881600000000 ] - [ 0.0000374600000000, 0.0000971800000000, 0.0000400300000000 ] - [ 0.0015364700000000, 0.0019122600000000, -0.0070887900000000 ] - [ 0.0002245400000000, -0.0000724600000000, -0.0000733600000000 ] - [ -0.0008835600000000, 0.0001796200000000, -0.0001506900000000 ] - [ 0.0001896600000000, -0.0000511200000000, -0.0000630000000000 ] - [ -0.0003085200000000, -0.0001270100000000, -0.0038738200000000 ] - [ 0.0000138600000000, 0.0000593900000000, -0.0000984000000000 ] - [ 0.0110805100000000, 0.0021216100000000, 0.0050255800000000 ] - [ 0.0001068800000000, -0.0000336300000000, -0.0001003400000000 ] - [ 0.0002759200000000, -0.0000202400000000, 0.0018566800000000 ] - [ 0.0001569000000000, -0.0000699300000000, 0.0000699000000000 ] - [ -0.0110961300000000, 0.0020803600000000, 0.0047942400000000 ] - [ 0.0003010200000000, -0.0000446500000000, 0.0000474500000000 ] - [ 0.0012133100000000, 0.0016081200000000, -0.0002678200000000 ] - [ -0.0001054800000000, -0.0000439500000000, -0.0000963200000000 ]- atom: 87 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ -0.0028908700000000, -0.0031020800000000, -0.0069636700000000 ] - [ -0.0001339800000000, 0.0001957700000000, -0.0000908700000000 ] - [ -0.0012783500000000, -0.0011136700000000, 0.0013506100000000 ] - [ 0.0001508400000000, 0.0001414600000000, 0.0001113200000000 ] - [ -0.0002455100000000, 0.0003425100000000, 0.0004182100000000 ] - [ -0.0000701200000000, 0.0001170800000000, -0.0000876900000000 ] - [ -0.0000197900000000, 0.0003303000000000, -0.0005490400000000 ] - [ 0.0001983000000000, 0.0001351500000000, -0.0000440900000000 ] - [ 0.0006691600000000, -0.0009927200000000, 0.0015192300000000 ] - [ -0.0000601400000000, 0.0000889400000000, 0.0001719400000000 ] - [ 0.0004391900000000, -0.0000855100000000, -0.0002315000000000 ] - [ -0.0013148500000000, 0.0005175700000000, -0.0006339600000000 ] - [ 0.0003252800000000, -0.0000279400000000, 0.0003149700000000 ] - [ -0.0001000400000000, 0.0002268800000000, 0.0002338200000000 ] - [ -0.0011975400000000, 0.0006479700000000, 0.0013356000000000 ] - [ 0.0000684500000000, -0.0000331200000000, 0.0000862900000000 ] - [ 0.0001607800000000, -0.0007367000000000, -0.0011715300000000 ] - [ 0.0000592900000000, 0.0000416800000000, 0.0000010400000000 ] - [ -0.0023126300000000, -0.0015338000000000, 0.0057268700000000 ] - [ 0.0001002700000000, -0.0000256200000000, -0.0000073000000000 ] - [ 0.0013374000000000, 0.0009151500000000, -0.0001118200000000 ] - [ -0.0001462000000000, -0.0003658300000000, -0.0000674100000000 ] - [ 0.0006285300000000, -0.0004802000000000, 0.0016022900000000 ] - [ 0.0000653800000000, -0.0002534000000000, 0.0004979100000000 ] - [ -0.0044954600000000, -0.0012013800000000, -0.0002883200000000 ] - [ 0.0018699000000000, -0.0001576900000000, -0.0004683500000000 ] - [ 0.0012146300000000, -0.0005905100000000, -0.0012792200000000 ] - [ 0.0006773800000000, -0.0000373000000000, -0.0003804700000000 ] - [ -0.0022698300000000, -0.0030375600000000, -0.0002850900000000 ] - [ 0.0005302500000000, 0.0001221300000000, 0.0001317400000000 ] - [ -0.0004074800000000, 0.0000782300000000, 0.0050121500000000 ] - [ -0.0001314400000000, -0.0001683500000000, 0.0008687000000000 ] - [ 0.0008930700000000, 0.0030444300000000, -0.0151580200000000 ] - [ 0.0003315200000000, -0.0002208000000000, 0.0000412900000000 ] - [ 0.0001866700000000, -0.0038278000000000, 0.0011355400000000 ] - [ 0.0002631500000000, 0.0000442600000000, -0.0001919100000000 ] - [ 0.0007420100000000, -0.0005603300000000, 0.0062893000000000 ] - [ 0.0002773700000000, 0.0000923300000000, 0.0001373500000000 ] - [ 0.0049443100000000, 0.0044821000000000, 0.0004213400000000 ] - [ -0.0000923700000000, -0.0000589400000000, 0.0001398100000000 ] - [ 0.0008257900000000, -0.0000315800000000, -0.0184786800000000 ] - [ 0.0002826300000000, -0.0000516300000000, -0.0001070900000000 ] - [ -0.0019796700000000, 0.0030047700000000, -0.0002941400000000 ] - [ 0.0003688200000000, 0.0001649700000000, -0.0000759100000000 ] - [ 0.0013880200000000, -0.0005866300000000, -0.0001363500000000 ] - [ -0.0002919300000000, -0.0003541200000000, 0.0000188800000000 ] - [ -0.0015137700000000, -0.0009352100000000, -0.0005240400000000 ] - [ 0.0001453800000000, 0.0000416000000000, -0.0001638000000000 ] - [ -0.0016971400000000, -0.0003166900000000, 0.0000917600000000 ] - [ -0.0002995100000000, -0.0001090900000000, 0.0005716700000000 ] - [ 0.0001575700000000, 0.0006915100000000, -0.0005763000000000 ] - [ -0.0001937100000000, 0.0002661300000000, -0.0002323700000000 ] - [ -0.0000443400000000, 0.0000358700000000, -0.0005130500000000 ] - [ 0.0000156700000000, 0.0002572800000000, -0.0001973500000000 ] - [ -0.0004519700000000, -0.0001155300000000, -0.0001328500000000 ] - [ 0.0006386400000000, 0.0004318300000000, -0.0001604400000000 ] - [ 0.0000529100000000, 0.0003269300000000, -0.0009802400000000 ] - [ -0.0000289000000000, 0.0000552700000000, -0.0007018000000000 ] - [ -0.0003548100000000, -0.0001306600000000, 0.0004013400000000 ] - [ -0.0002063000000000, 0.0000608900000000, 0.0002441300000000 ] - [ -0.0033108200000000, 0.0000486200000000, -0.0030956600000000 ] - [ 0.0010507300000000, -0.0000764500000000, -0.0006857100000000 ] - [ 0.0003483100000000, 0.0004688500000000, 0.0003076700000000 ] - [ -0.0005186000000000, -0.0000572900000000, -0.0000237000000000 ] - [ 0.0000844600000000, 0.0000881800000000, -0.0005860200000000 ] - [ -0.0002760400000000, 0.0002497000000000, -0.0001000600000000 ] - [ 0.0030721300000000, 0.0016552700000000, -0.0033747900000000 ] - [ -0.0002235300000000, 0.0001264700000000, -0.0002680700000000 ] - [ 0.0001714600000000, 0.0006868900000000, 0.0015269500000000 ] - [ 0.0000057800000000, -0.0000630400000000, 0.0000382400000000 ] - [ -0.0010248300000000, -0.0000041600000000, 0.0007113100000000 ] - [ 0.0000086200000000, -0.0001696900000000, 0.0002064400000000 ] - [ -0.0000474100000000, 0.0000962300000000, -0.0009273900000000 ] - [ -0.0001098800000000, -0.0000474700000000, -0.0001645200000000 ] - [ -0.0002930700000000, -0.0011858600000000, 0.0020213900000000 ] - [ -0.0003777800000000, -0.0000486100000000, 0.0000633900000000 ] - [ 0.0001297800000000, 0.0000342700000000, -0.0028669100000000 ] - [ 0.0000224100000000, 0.0000022600000000, -0.0000300500000000 ] - [ -0.0004630300000000, 0.0006480600000000, -0.0008676300000000 ] - [ -0.0001318600000000, -0.0000670400000000, -0.0000174400000000 ] - [ 0.0007815200000000, 0.0027221900000000, -0.0040750500000000 ] - [ -0.0002478100000000, -0.0000713200000000, -0.0000888700000000 ] - [ -0.0001371000000000, 0.0001082600000000, -0.0022326500000000 ] - [ -0.0001530200000000, -0.0000372400000000, -0.0000200500000000 ] - [ 0.0005220400000000, 0.0120886300000000, -0.0056428100000000 ] - [ -0.0000066000000000, 0.0000424900000000, 0.0000578400000000 ] - [ 0.0100584900000000, 0.0074297100000000, 0.0537989100000000 ] - [ -0.0002038300000000, -0.0000455400000000, 0.0001016000000000 ] - [ 0.0007628400000000, -0.0013993900000000, -0.0034366900000000 ] - [ -0.0002203100000000, -0.0000669800000000, -0.0000281900000000 ] - [ -0.0033608200000000, -0.0105339000000000, -0.0057623200000000 ] - [ -0.0000508600000000, 0.0001049900000000, 0.0000667500000000 ] - [ 0.0000978400000000, 0.0001515100000000, -0.0013137300000000 ] - [ -0.0001504700000000, 0.0000478900000000, -0.0001783500000000 ] - [ -0.0014241300000000, -0.0020341400000000, 0.0069452900000000 ] - [ -0.0000006000000000, 0.0000522100000000, 0.0000051100000000 ] - [ 0.0009956900000000, -0.0004627100000000, 0.0000374100000000 ] - [ -0.0000895000000000, -0.0002327100000000, -0.0000628000000000 ] - [ 0.0001667800000000, 0.0002092100000000, 0.0038866500000000 ] - [ -0.0000930000000000, -0.0000407700000000, 0.0000734900000000 ] - [ -0.0107059100000000, -0.0021381000000000, -0.0049755000000000 ] - [ 0.0000789200000000, -0.0000012800000000, 0.0000529900000000 ] - [ -0.0001303700000000, -0.0000531500000000, -0.0019356000000000 ] - [ -0.0000247400000000, -0.0000076700000000, -0.0001510000000000 ] - [ 0.0112224100000000, -0.0022804200000000, -0.0046756900000000 ] - [ -0.0003472200000000, -0.0001324000000000, 0.0001315500000000 ] - [ -0.0012748400000000, -0.0015531800000000, 0.0000622700000000 ] - [ 0.0000378400000000, 0.0000900600000000, -0.0000984400000000 ]- atom: 89 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ 0.0071059800000000, -0.0021021700000000, -0.0025819800000000 ] - [ -0.0012581800000000, 0.0001950800000000, -0.0003063200000000 ] - [ 0.0015805200000000, 0.0007081200000000, -0.0005869400000000 ] - [ -0.0006208300000000, -0.0001632200000000, 0.0004090600000000 ] - [ 0.0013426100000000, 0.0008998100000000, 0.0012722800000000 ] - [ -0.0008361700000000, 0.0004018600000000, 0.0001266200000000 ] - [ -0.0001857100000000, 0.0011476400000000, -0.0013982400000000 ] - [ -0.0007362600000000, 0.0001290100000000, -0.0000338400000000 ] - [ 0.0001458200000000, -0.0010901000000000, 0.0011725600000000 ] - [ -0.0016677600000000, -0.0000034500000000, 0.0001471400000000 ] - [ -0.0011156100000000, -0.0006661400000000, -0.0002848900000000 ] - [ -0.0005976400000000, 0.0003634800000000, -0.0001386300000000 ] - [ -0.0045716000000000, -0.0013651800000000, -0.0012010700000000 ] - [ -0.0030869400000000, 0.0023212000000000, 0.0015147100000000 ] - [ 0.0009379200000000, -0.0009013900000000, -0.0009311300000000 ] - [ -0.0015827700000000, 0.0000434700000000, 0.0003438000000000 ] - [ 0.0050682000000000, 0.0011434400000000, -0.0013142300000000 ] - [ -0.0016233800000000, 0.0002338600000000, 0.0000158300000000 ] - [ 0.0049009100000000, -0.0005825600000000, 0.0010169000000000 ] - [ -0.0017219300000000, -0.0002216700000000, -0.0001781500000000 ] - [ 0.0002087000000000, 0.0009738300000000, 0.0006964600000000 ] - [ -0.0027459200000000, -0.0014573300000000, 0.0006877500000000 ] - [ 0.0003036300000000, -0.0007233000000000, 0.0026639000000000 ] - [ -0.0024758100000000, 0.0000092500000000, -0.0007128800000000 ] - [ -0.0037034700000000, -0.0091759100000000, -0.0003504600000000 ] - [ -0.0054002000000000, -0.0000691300000000, 0.0015984200000000 ] - [ -0.0005177200000000, -0.0044501000000000, 0.0060886700000000 ] - [ -0.0025899900000000, 0.0011477700000000, 0.0003150300000000 ] - [ -0.0002889700000000, -0.0005726600000000, -0.0008020500000000 ] - [ -0.0024921800000000, 0.0001549300000000, 0.0001947200000000 ] - [ -0.0011534300000000, 0.0053398100000000, -0.0019077000000000 ] - [ -0.0039034300000000, 0.0001394600000000, 0.0027064500000000 ] - [ 0.0067492100000000, -0.0035730000000000, 0.0028007600000000 ] - [ -0.0032067100000000, 0.0011747700000000, -0.0006090500000000 ] - [ 0.0297565600000000, -0.0093331900000000, 0.0039543600000000 ] - [ -0.0034920500000000, -0.0000420100000000, 0.0000101400000000 ] - [ 0.0238630000000000, 0.0020556700000000, -0.0138939600000000 ] - [ -0.0038854000000000, 0.0010944200000000, -0.0012587500000000 ] - [ 0.0044310200000000, -0.0007240600000000, 0.0005127800000000 ] - [ -0.0034067400000000, -0.0007582000000000, -0.0010471200000000 ] - [ 0.0066886000000000, -0.0090013800000000, -0.0053665800000000 ] - [ -0.0033858000000000, 0.0001794600000000, 0.0005276400000000 ] - [ 0.0197403600000000, -0.0102383300000000, 0.0070021400000000 ] - [ -0.0040116000000000, -0.0015612300000000, -0.0007552200000000 ] - [ 0.0215261800000000, 0.0085634800000000, -0.0057860700000000 ] - [ 0.0032051900000000, 0.0004866300000000, -0.0002418200000000 ] - [ -0.0008689300000000, 0.0000311800000000, -0.0006326600000000 ] - [ 0.0015501200000000, 0.0004877900000000, 0.0001859100000000 ] - [ -0.0002807600000000, 0.0010854800000000, 0.0019660300000000 ] - [ 0.0018989800000000, -0.0001370000000000, -0.0009822400000000 ] - [ 0.0003861100000000, 0.0017695600000000, -0.0017215300000000 ] - [ 0.0007000800000000, -0.0002350700000000, 0.0001593000000000 ] - [ 0.0003890400000000, -0.0003401700000000, -0.0013490800000000 ] - [ 0.0010662000000000, 0.0005281400000000, 0.0001147500000000 ] - [ 0.0014843700000000, -0.0005460900000000, -0.0005408700000000 ] - [ 0.0019247200000000, 0.0006254000000000, 0.0001140000000000 ] - [ 0.0012705400000000, 0.0014637100000000, -0.0014248600000000 ] - [ 0.0014076100000000, -0.0001560600000000, 0.0001618900000000 ] - [ 0.0015068800000000, -0.0002292400000000, 0.0002863800000000 ] - [ 0.0016668200000000, 0.0002796200000000, -0.0007486300000000 ] - [ 0.0048514900000000, -0.0033490700000000, 0.0007180900000000 ] - [ 0.0035072100000000, 0.0010731500000000, -0.0015831500000000 ] - [ 0.0003622400000000, 0.0012674700000000, -0.0007253600000000 ] - [ 0.0008086300000000, -0.0002021700000000, -0.0002141100000000 ] - [ 0.0006492300000000, -0.0013425200000000, 0.0004352900000000 ] - [ 0.0010822700000000, 0.0004420400000000, -0.0003839600000000 ] - [ -0.0000291100000000, -0.0011982200000000, 0.0009308300000000 ] - [ 0.0007319800000000, 0.0000252200000000, -0.0005099100000000 ] - [ 0.0017335600000000, 0.0014489400000000, -0.0026945300000000 ] - [ 0.0008169200000000, -0.0003808300000000, 0.0000167500000000 ] - [ 0.0054158600000000, 0.0116415300000000, -0.0053722000000000 ] - [ 0.0025290100000000, -0.0007273300000000, -0.0000339200000000 ] - [ 0.0040360000000000, -0.0021600600000000, 0.0095559300000000 ] - [ 0.0023586300000000, -0.0003317800000000, -0.0005710500000000 ] - [ -0.0029904700000000, 0.0022303400000000, -0.0004941000000000 ] - [ 0.0020046800000000, -0.0006225500000000, -0.0001167300000000 ] - [ -0.0034709600000000, -0.0027303800000000, 0.0021425000000000 ] - [ 0.0024782600000000, -0.0003617100000000, 0.0000014600000000 ] - [ -0.0038429800000000, 0.0022318900000000, -0.0021665800000000 ] - [ 0.0014690500000000, -0.0003990800000000, -0.0000340500000000 ] - [ 0.0000872500000000, -0.0001275800000000, 0.0033752300000000 ] - [ 0.0017419000000000, -0.0002536600000000, 0.0002076000000000 ] - [ -0.0074444000000000, 0.0051215300000000, 0.0037663600000000 ] - [ 0.0008583600000000, -0.0002299100000000, 0.0001606400000000 ] - [ -0.0011210700000000, 0.0058880300000000, -0.0019616700000000 ] - [ 0.0008196100000000, -0.0002117100000000, 0.0001878400000000 ] - [ -0.0058696100000000, 0.0013830500000000, -0.0008551800000000 ] - [ 0.0018576000000000, -0.0006517300000000, 0.0001845600000000 ] - [ -0.1228375100000000, 0.0131884300000000, 0.0092623600000000 ] - [ 0.0016896800000000, 0.0000211000000000, 0.0005461700000000 ] - [ -0.0037565000000000, 0.0005488800000000, -0.0002633200000000 ] - [ 0.0021782000000000, 0.0000531600000000, 0.0003276800000000 ] - [ 0.0040015600000000, 0.0021376300000000, -0.0222761400000000 ] - [ 0.0023791900000000, 0.0001145700000000, 0.0003101600000000 ] - [ -0.0031519800000000, 0.0018058800000000, 0.0005710400000000 ] - [ 0.0016358800000000, -0.0001375800000000, 0.0003663600000000 ] - [ 0.0071893000000000, -0.0262558000000000, 0.0014816100000000 ] - [ 0.0020321000000000, 0.0004983200000000, 0.0000630400000000 ] - [ 0.0029590100000000, 0.0058226900000000, 0.0130903500000000 ] - [ 0.0007380800000000, 0.0002334800000000, 0.0000067900000000 ] - [ -0.0013982500000000, 0.0016072500000000, 0.0014976700000000 ] - [ 0.0010325000000000, 0.0000962800000000, 0.0000508700000000 ] - [ -0.0021104100000000, -0.0000680400000000, -0.0008599800000000 ] - [ 0.0018364700000000, 0.0000866400000000, 0.0003451300000000 ] - [ 0.0025055900000000, 0.0079260000000000, 0.0020013100000000 ] - [ 0.0018523900000000, 0.0001521800000000, 0.0000188500000000 ] - [ -0.0016362000000000, -0.0004672200000000, -0.0001130300000000 ] - [ 0.0020377800000000, 0.0004052500000000, -0.0000729300000000 ]- atom: 89 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ -0.0075814600000000, 0.0027031500000000, 0.0028616900000000 ] - [ 0.0009705800000000, 0.0001233600000000, 0.0002944900000000 ] - [ -0.0013716500000000, -0.0004356200000000, 0.0008033100000000 ] - [ 0.0008086600000000, 0.0004193700000000, -0.0001807600000000 ] - [ -0.0015078200000000, -0.0006445900000000, -0.0014878400000000 ] - [ 0.0006338000000000, -0.0001399700000000, -0.0003497500000000 ] - [ 0.0004640000000000, -0.0008172300000000, 0.0013916000000000 ] - [ 0.0010039500000000, 0.0001902700000000, 0.0000426500000000 ] - [ 0.0000566900000000, 0.0011098800000000, -0.0011692500000000 ] - [ 0.0018308500000000, 0.0000246300000000, -0.0001464800000000 ] - [ 0.0009269600000000, 0.0006062000000000, 0.0003791800000000 ] - [ 0.0004030500000000, -0.0004142000000000, 0.0002341300000000 ] - [ 0.0047531100000000, 0.0013292600000000, 0.0011129900000000 ] - [ 0.0032318500000000, -0.0023353600000000, -0.0015883300000000 ] - [ -0.0011369600000000, 0.0009053700000000, 0.0009126700000000 ] - [ 0.0013878300000000, -0.0000196700000000, -0.0003385400000000 ] - [ -0.0050135400000000, -0.0011071900000000, 0.0014080600000000 ] - [ 0.0015794800000000, -0.0001970500000000, 0.0000809900000000 ] - [ -0.0048015600000000, 0.0006197700000000, -0.0011167400000000 ] - [ 0.0017321700000000, 0.0002521800000000, 0.0000814500000000 ] - [ 0.0000828100000000, -0.0008780300000000, -0.0007178100000000 ] - [ 0.0029776600000000, 0.0015217000000000, -0.0007054400000000 ] - [ -0.0002523300000000, 0.0005211500000000, -0.0027305800000000 ] - [ 0.0024730300000000, -0.0001957600000000, 0.0006112300000000 ] - [ 0.0031772800000000, 0.0088689600000000, 0.0002496300000000 ] - [ 0.0048607000000000, -0.0000847900000000, -0.0016678800000000 ] - [ 0.0009684000000000, 0.0042939700000000, -0.0060293200000000 ] - [ 0.0030789900000000, -0.0012768700000000, -0.0002374300000000 ] - [ 0.0001606400000000, 0.0003878300000000, 0.0009141500000000 ] - [ 0.0024438300000000, -0.0003421900000000, -0.0000864000000000 ] - [ 0.0007953300000000, -0.0052571000000000, 0.0019495400000000 ] - [ 0.0035995400000000, -0.0000646700000000, -0.0026471100000000 ] - [ -0.0066749700000000, 0.0034262500000000, -0.0025077600000000 ] - [ 0.0032146800000000, -0.0012571200000000, 0.0008136600000000 ] - [ -0.0293665100000000, 0.0091570900000000, -0.0040989100000000 ] - [ 0.0035587200000000, 0.0000354600000000, -0.0002674400000000 ] - [ -0.0235716500000000, -0.0019669600000000, 0.0136849600000000 ] - [ 0.0041248700000000, -0.0010277600000000, 0.0010817900000000 ] - [ -0.0046386500000000, 0.0007714700000000, -0.0003347400000000 ] - [ 0.0030959300000000, 0.0008050100000000, 0.0012044600000000 ] - [ -0.0066768800000000, 0.0088911400000000, 0.0055759000000000 ] - [ 0.0032555000000000, -0.0001857300000000, -0.0002665900000000 ] - [ -0.0167023100000000, 0.0101386300000000, -0.0067006500000000 ] - [ 0.0039443600000000, 0.0014539500000000, 0.0005365600000000 ] - [ -0.0208892500000000, -0.0085672500000000, 0.0057450500000000 ] - [ -0.0030252100000000, -0.0006384400000000, 0.0003268900000000 ] - [ 0.0009664500000000, 0.0000124400000000, 0.0005431400000000 ] - [ -0.0014150600000000, -0.0004389900000000, -0.0002671300000000 ] - [ 0.0001273400000000, -0.0012886700000000, -0.0019670700000000 ] - [ -0.0020182500000000, -0.0000826100000000, 0.0009454000000000 ] - [ -0.0005066400000000, -0.0017636600000000, 0.0018560000000000 ] - [ -0.0008145700000000, 0.0002154400000000, -0.0000033100000000 ] - [ -0.0002888400000000, 0.0006547200000000, 0.0013492400000000 ] - [ -0.0009527200000000, -0.0002061400000000, -0.0000998400000000 ] - [ -0.0013571400000000, 0.0005231400000000, 0.0004310900000000 ] - [ -0.0017773800000000, -0.0006355100000000, -0.0002256000000000 ] - [ -0.0011370900000000, -0.0013110500000000, 0.0015486100000000 ] - [ -0.0012573400000000, 0.0002855200000000, -0.0000207800000000 ] - [ -0.0015166900000000, 0.0002442300000000, -0.0004222000000000 ] - [ -0.0016639200000000, -0.0002569600000000, 0.0006018300000000 ] - [ -0.0048224200000000, 0.0033948400000000, -0.0005895400000000 ] - [ -0.0034510500000000, -0.0010353000000000, 0.0017080000000000 ] - [ -0.0004659500000000, -0.0011336100000000, 0.0005865900000000 ] - [ -0.0009340700000000, 0.0003271100000000, 0.0000689700000000 ] - [ -0.0007474200000000, 0.0013207400000000, -0.0003282500000000 ] - [ -0.0012025700000000, -0.0004510000000000, 0.0004855900000000 ] - [ -0.0000586600000000, 0.0015159700000000, -0.0009443300000000 ] - [ -0.0008309800000000, 0.0002991400000000, 0.0004874900000000 ] - [ -0.0015931300000000, -0.0014651400000000, 0.0025454100000000 ] - [ -0.0006887000000000, 0.0003538600000000, -0.0001778200000000 ] - [ -0.0053900100000000, -0.0120152300000000, 0.0054585100000000 ] - [ -0.0023638000000000, 0.0004966400000000, 0.0000677800000000 ] - [ -0.0042021700000000, 0.0022260500000000, -0.0095974600000000 ] - [ -0.0024484700000000, 0.0003757100000000, 0.0006447400000000 ] - [ 0.0028338300000000, -0.0023827300000000, 0.0004073700000000 ] - [ -0.0021542400000000, 0.0004589600000000, 0.0000301700000000 ] - [ 0.0035799200000000, 0.0026922100000000, -0.0018947700000000 ] - [ -0.0023921500000000, 0.0004005400000000, 0.0001900800000000 ] - [ 0.0038897200000000, -0.0023308200000000, 0.0019168400000000 ] - [ -0.0014173800000000, 0.0002210700000000, -0.0001472600000000 ] - [ -0.0002034000000000, 0.0000706700000000, -0.0030631000000000 ] - [ -0.0018598500000000, 0.0001725800000000, -0.0001247900000000 ] - [ 0.0073091100000000, -0.0049823100000000, -0.0035669900000000 ] - [ -0.0010367100000000, 0.0001960500000000, -0.0001095800000000 ] - [ 0.0011133900000000, -0.0056733500000000, 0.0019257700000000 ] - [ -0.0007337600000000, 0.0002362600000000, -0.0001629700000000 ] - [ 0.0057032400000000, -0.0016565300000000, 0.0009569600000000 ] - [ -0.0019418500000000, 0.0003626000000000, -0.0000566800000000 ] - [ 0.1190180200000000, -0.0133406300000000, -0.0101448600000000 ] - [ -0.0018934500000000, -0.0000465300000000, -0.0004778700000000 ] - [ 0.0038163200000000, -0.0003936800000000, 0.0003986100000000 ] - [ -0.0020496700000000, 0.0000930800000000, -0.0001845300000000 ] - [ -0.0040835800000000, -0.0019544800000000, 0.0217867700000000 ] - [ -0.0024687400000000, 0.0000318600000000, -0.0004451300000000 ] - [ 0.0033287900000000, -0.0018059200000000, -0.0006350700000000 ] - [ -0.0013993200000000, 0.0001128300000000, -0.0004268800000000 ] - [ -0.0070528500000000, 0.0254352400000000, -0.0015767700000000 ] - [ -0.0019147100000000, -0.0007728800000000, -0.0001877200000000 ] - [ -0.0030378900000000, -0.0057233100000000, -0.0128732700000000 ] - [ -0.0008086000000000, -0.0002093800000000, -0.0000324300000000 ] - [ 0.0015616100000000, -0.0016222900000000, -0.0015237800000000 ] - [ -0.0008366100000000, -0.0001280300000000, -0.0000964400000000 ] - [ 0.0022085900000000, -0.0000101900000000, 0.0007715100000000 ] - [ -0.0016816300000000, -0.0001633700000000, -0.0004218500000000 ] - [ -0.0025430300000000, -0.0079767500000000, -0.0018015100000000 ] - [ -0.0018772600000000, -0.0003266700000000, 0.0001613600000000 ] - [ 0.0015328000000000, 0.0005082900000000, -0.0000780900000000 ] - [ -0.0020818800000000, -0.0003565600000000, -0.0001194300000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0025918800000000, 0.0059536200000000, 0.0021820900000000 ] - [ -0.0002416800000000, 0.0002302300000000, -0.0000732800000000 ] - [ -0.0001896300000000, -0.0004960200000000, 0.0011520500000000 ] - [ 0.0000685200000000, 0.0001006600000000, 0.0001392600000000 ] - [ 0.0014123500000000, 0.0009148300000000, -0.0013641000000000 ] - [ -0.0002010600000000, 0.0001723100000000, -0.0000513700000000 ] - [ 0.0014238800000000, -0.0007431600000000, 0.0009221900000000 ] - [ -0.0002912400000000, -0.0001014600000000, -0.0001749300000000 ] - [ -0.0008873400000000, -0.0007509900000000, 0.0007335600000000 ] - [ 0.0002919300000000, 0.0002253600000000, 0.0001875700000000 ] - [ -0.0001325700000000, -0.0003992800000000, -0.0001474500000000 ] - [ -0.0006053700000000, -0.0012660100000000, 0.0005589800000000 ] - [ -0.0008788500000000, 0.0026930200000000, -0.0016735600000000 ] - [ 0.0000257300000000, 0.0006062800000000, -0.0000096400000000 ] - [ -0.0023887800000000, -0.0018351500000000, -0.0013628300000000 ] - [ -0.0000949500000000, -0.0000262600000000, 0.0000594200000000 ] - [ 0.0010285200000000, 0.0035554100000000, 0.0014506100000000 ] - [ -0.0001832000000000, 0.0001742600000000, 0.0000243900000000 ] - [ 0.0001263100000000, -0.0078234100000000, -0.0014007900000000 ] - [ -0.0000160000000000, -0.0001255900000000, -0.0000214300000000 ] - [ 0.0008491500000000, 0.0009968100000000, 0.0001116000000000 ] - [ -0.0012377600000000, 0.0007243100000000, 0.0019020700000000 ] - [ 0.0012543100000000, -0.0011582500000000, 0.0004316500000000 ] - [ -0.0000614700000000, -0.0017535800000000, 0.0002437000000000 ] - [ -0.0032869700000000, -0.0015602800000000, 0.0009493100000000 ] - [ 0.0027305200000000, -0.0007446600000000, -0.0010424200000000 ] - [ -0.0056065500000000, 0.0033957200000000, 0.0088622100000000 ] - [ 0.0006675800000000, 0.0001230100000000, -0.0000962200000000 ] - [ 0.0028402800000000, 0.0032391900000000, 0.0026485800000000 ] - [ -0.0002084500000000, 0.0002290700000000, 0.0001437200000000 ] - [ 0.0068605400000000, -0.0037699100000000, 0.0018608300000000 ] - [ -0.0005443100000000, -0.0001895500000000, 0.0007718600000000 ] - [ 0.0014585400000000, -0.0100980700000000, 0.0106572000000000 ] - [ -0.0000956200000000, -0.0002239900000000, 0.0000024200000000 ] - [ 0.0031016700000000, 0.0136529400000000, 0.0057214700000000 ] - [ -0.0000259400000000, 0.0000420800000000, -0.0002036600000000 ] - [ 0.0046163500000000, 0.0218560900000000, 0.0131189100000000 ] - [ -0.0000220400000000, 0.0002602300000000, -0.0000660500000000 ] - [ 0.0022031800000000, -0.0015287800000000, 0.0006459500000000 ] - [ -0.0005371200000000, -0.0005290800000000, 0.0001220300000000 ] - [ 0.0006060900000000, -0.0048049200000000, -0.0045160100000000 ] - [ 0.0001580200000000, -0.0000913200000000, -0.0001311900000000 ] - [ -0.0135074600000000, 0.0245541400000000, -0.0033217800000000 ] - [ -0.0000321300000000, 0.0003485700000000, -0.0002025300000000 ] - [ 0.0017798800000000, 0.0016758700000000, 0.0000264300000000 ] - [ 0.0000026700000000, -0.0009451500000000, 0.0001568900000000 ] - [ -0.0006188800000000, 0.0001573900000000, -0.0001155300000000 ] - [ 0.0003324100000000, 0.0004939900000000, -0.0003769300000000 ] - [ 0.0005211400000000, 0.0004069800000000, 0.0006998000000000 ] - [ -0.0002948300000000, 0.0001443100000000, 0.0005769200000000 ] - [ -0.0003498200000000, 0.0017417700000000, -0.0003873700000000 ] - [ 0.0000591700000000, 0.0011936400000000, 0.0000544600000000 ] - [ -0.0003254700000000, 0.0001051900000000, 0.0002226900000000 ] - [ 0.0004611300000000, 0.0006819900000000, -0.0000882400000000 ] - [ 0.0004240500000000, -0.0006268900000000, -0.0002723300000000 ] - [ -0.0006443500000000, -0.0013187100000000, -0.0004101500000000 ] - [ 0.0003319300000000, 0.0007164200000000, -0.0003665200000000 ] - [ -0.0012212300000000, 0.0006593500000000, -0.0001555600000000 ] - [ -0.0006001300000000, -0.0001567000000000, -0.0003184300000000 ] - [ 0.0026595800000000, -0.0000472900000000, -0.0019209400000000 ] - [ -0.0044682800000000, 0.0024888500000000, -0.0002284500000000 ] - [ 0.0011511500000000, 0.0001079400000000, -0.0005887500000000 ] - [ 0.0010008700000000, -0.0014914900000000, -0.0013216900000000 ] - [ -0.0002968900000000, -0.0001046500000000, -0.0000965600000000 ] - [ 0.0001752900000000, 0.0029721200000000, -0.0000348200000000 ] - [ -0.0002835800000000, 0.0003772900000000, -0.0000224100000000 ] - [ -0.0010167000000000, -0.0002005700000000, -0.0016158700000000 ] - [ 0.0000272900000000, 0.0000692700000000, -0.0001050800000000 ] - [ -0.0010978900000000, -0.0043124500000000, -0.0015149000000000 ] - [ 0.0000938900000000, -0.0002622300000000, -0.0000890400000000 ] - [ 0.0135675300000000, 0.0041905200000000, -0.0059817900000000 ] - [ 0.0000524000000000, -0.0001958300000000, 0.0001115500000000 ] - [ -0.0030012500000000, -0.0022692800000000, -0.0024469100000000 ] - [ 0.0000845300000000, -0.0001007700000000, -0.0000633800000000 ] - [ 0.0013375300000000, 0.0014958500000000, -0.0012382100000000 ] - [ -0.0000413600000000, 0.0000599700000000, -0.0000263700000000 ] - [ -0.0045954300000000, 0.0079420500000000, -0.0097848400000000 ] - [ 0.0002364300000000, -0.0000415000000000, 0.0000051800000000 ] - [ 0.0015493900000000, 0.0050637800000000, -0.0096328200000000 ] - [ 0.0000041600000000, -0.0000882200000000, -0.0000611400000000 ] - [ -0.0024809500000000, 0.0009259900000000, -0.0071591000000000 ] - [ 0.0000178000000000, -0.0001247100000000, 0.0000111100000000 ] - [ 0.0017863800000000, 0.0091420300000000, 0.0245883300000000 ] - [ -0.0000609700000000, -0.0000955100000000, 0.0000455100000000 ] - [ -0.0037575000000000, 0.0264402300000000, -0.0069912200000000 ] - [ 0.0000561700000000, 0.0000902000000000, 0.0000585900000000 ] - [ -0.0010674800000000, 0.0081291900000000, 0.0014485200000000 ] - [ -0.0000248500000000, 0.0000089200000000, 0.0001157100000000 ] - [ 0.0134629000000000, -0.1187496900000000, -0.0115145100000000 ] - [ -0.0000701900000000, -0.0001440900000000, 0.0000307000000000 ] - [ -0.0014076800000000, 0.0018887900000000, -0.0013662200000000 ] - [ 0.0002259400000000, 0.0001477000000000, 0.0000834000000000 ] - [ 0.0051567000000000, -0.0061847100000000, -0.0043829000000000 ] - [ -0.0000250900000000, -0.0000352200000000, -0.0000764100000000 ] - [ -0.0016876700000000, 0.0023075700000000, -0.0011188700000000 ] - [ 0.0002223700000000, 0.0001908200000000, 0.0000523500000000 ] - [ -0.0245524800000000, 0.0050270200000000, -0.0021800400000000 ] - [ 0.0002095100000000, -0.0002890500000000, 0.0000024800000000 ] - [ 0.0023097900000000, -0.0006821300000000, 0.0029922900000000 ] - [ -0.0000003300000000, -0.0001266900000000, 0.0000585800000000 ] - [ 0.0000513800000000, 0.0017034800000000, 0.0003923100000000 ] - [ 0.0000593500000000, 0.0001637900000000, 0.0000007600000000 ] - [ -0.0012108500000000, 0.0010880700000000, 0.0002661900000000 ] - [ 0.0001094400000000, 0.0001699100000000, -0.0002319500000000 ] - [ 0.0087550000000000, 0.0049601500000000, 0.0027450600000000 ] - [ -0.0004755100000000, -0.0001709900000000, 0.0002104400000000 ] - [ -0.0010423400000000, -0.0005792000000000, -0.0001674300000000 ] - [ 0.0005897200000000, 0.0001869600000000, -0.0002469900000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020435200000000, -0.0054183900000000, -0.0019007200000000 ] - [ -0.0000315400000000, 0.0000950800000000, 0.0000718200000000 ] - [ 0.0003854800000000, 0.0007784000000000, -0.0009338300000000 ] - [ 0.0001301300000000, 0.0001588500000000, 0.0000858000000000 ] - [ -0.0016202400000000, -0.0006803400000000, 0.0011415000000000 ] - [ 0.0000069100000000, 0.0000847200000000, -0.0001764200000000 ] - [ -0.0011601400000000, 0.0010694700000000, -0.0009247800000000 ] - [ 0.0005763200000000, 0.0004286700000000, 0.0001806800000000 ] - [ 0.0010838900000000, 0.0008040200000000, -0.0007587400000000 ] - [ -0.0001163000000000, -0.0002002500000000, -0.0001924200000000 ] - [ -0.0000505900000000, 0.0003523600000000, 0.0002470600000000 ] - [ 0.0004330800000000, 0.0012288600000000, -0.0004702300000000 ] - [ 0.0010459400000000, -0.0027846300000000, 0.0015968100000000 ] - [ 0.0001739700000000, -0.0006826500000000, -0.0000981700000000 ] - [ 0.0022342500000000, 0.0018595300000000, 0.0013812700000000 ] - [ -0.0000806100000000, 0.0000494000000000, -0.0000566500000000 ] - [ -0.0010529100000000, -0.0035868500000000, -0.0013521300000000 ] - [ 0.0001613300000000, -0.0001428300000000, 0.0000781900000000 ] - [ -0.0001502900000000, 0.0078858400000000, 0.0013510000000000 ] - [ 0.0000452500000000, 0.0001596200000000, -0.0000801500000000 ] - [ -0.0005916000000000, -0.0009369900000000, -0.0001515000000000 ] - [ 0.0015140600000000, -0.0006628000000000, -0.0019594200000000 ] - [ -0.0012498500000000, 0.0009860100000000, -0.0005200400000000 ] - [ 0.0001054200000000, 0.0015788800000000, -0.0003216600000000 ] - [ 0.0027801900000000, 0.0015132300000000, -0.0010112500000000 ] - [ -0.0032203500000000, 0.0006164900000000, 0.0009632600000000 ] - [ 0.0061540100000000, -0.0036239800000000, -0.0088986600000000 ] - [ -0.0001721300000000, -0.0002727400000000, 0.0001774000000000 ] - [ -0.0029612200000000, -0.0034398600000000, -0.0026031100000000 ] - [ 0.0001893100000000, -0.0004147600000000, -0.0000582800000000 ] - [ -0.0071081400000000, 0.0039438700000000, -0.0018125600000000 ] - [ 0.0002914900000000, 0.0002813100000000, -0.0007455800000000 ] - [ -0.0014346800000000, 0.0100497500000000, -0.0106400100000000 ] - [ 0.0001365400000000, 0.0001048400000000, 0.0002099100000000 ] - [ -0.0034032900000000, -0.0170059400000000, -0.0057629200000000 ] - [ 0.0001411000000000, -0.0000516000000000, -0.0000589900000000 ] - [ -0.0044572100000000, -0.0220194700000000, -0.0133933600000000 ] - [ 0.0003158800000000, -0.0002087900000000, -0.0000975600000000 ] - [ -0.0025346600000000, 0.0015898200000000, -0.0004924700000000 ] - [ 0.0002694000000000, 0.0005879000000000, 0.0000494200000000 ] - [ -0.0007646200000000, 0.0049293000000000, 0.0047723400000000 ] - [ -0.0002540100000000, 0.0000867000000000, 0.0003952700000000 ] - [ 0.0136799400000000, -0.0246611800000000, 0.0031470200000000 ] - [ 0.0000107700000000, -0.0004650800000000, -0.0000012900000000 ] - [ -0.0018232200000000, -0.0018746100000000, 0.0001133500000000 ] - [ 0.0001338300000000, 0.0008012300000000, -0.0000655100000000 ] - [ 0.0007311100000000, -0.0000956600000000, 0.0000482100000000 ] - [ -0.0002418100000000, -0.0004367900000000, 0.0003080100000000 ] - [ -0.0006604200000000, -0.0006486800000000, -0.0007542000000000 ] - [ 0.0001371000000000, -0.0003759200000000, -0.0006221500000000 ] - [ 0.0002495500000000, -0.0018005500000000, 0.0005275700000000 ] - [ -0.0001765800000000, -0.0012395400000000, 0.0000821900000000 ] - [ 0.0004342900000000, 0.0002079800000000, -0.0002118900000000 ] - [ -0.0003599900000000, -0.0003768600000000, 0.0000947800000000 ] - [ -0.0003066500000000, 0.0006104300000000, 0.0001693400000000 ] - [ 0.0007946400000000, 0.0013108900000000, 0.0003031200000000 ] - [ -0.0002055200000000, -0.0005998900000000, 0.0005218600000000 ] - [ 0.0013532400000000, -0.0005334100000000, 0.0003022400000000 ] - [ 0.0006083800000000, 0.0001886800000000, 0.0001876000000000 ] - [ -0.0026865400000000, 0.0000782400000000, 0.0018135200000000 ] - [ 0.0044524700000000, -0.0024765200000000, 0.0003580300000000 ] - [ -0.0011614800000000, -0.0000938500000000, 0.0007253700000000 ] - [ -0.0011396200000000, 0.0016571200000000, 0.0011893300000000 ] - [ 0.0001638800000000, 0.0002443700000000, -0.0000539600000000 ] - [ -0.0003206400000000, -0.0030246200000000, 0.0001461900000000 ] - [ 0.0001543500000000, -0.0004129900000000, 0.0001347500000000 ] - [ 0.0009118000000000, 0.0004786000000000, 0.0016071900000000 ] - [ -0.0001348300000000, 0.0002356000000000, 0.0000975600000000 ] - [ 0.0012483300000000, 0.0043288700000000, 0.0013909000000000 ] - [ 0.0000158000000000, 0.0002283800000000, -0.0000522800000000 ] - [ -0.0136700900000000, -0.0044494000000000, 0.0061159200000000 ] - [ 0.0000916500000000, -0.0000271700000000, -0.0000666800000000 ] - [ 0.0029908400000000, 0.0022907600000000, 0.0025910000000000 ] - [ -0.0001942000000000, 0.0001580700000000, 0.0001375000000000 ] - [ -0.0015150700000000, -0.0016399000000000, 0.0011651400000000 ] - [ -0.0001072500000000, -0.0002020300000000, -0.0000680200000000 ] - [ 0.0046052800000000, -0.0078541400000000, 0.0098227500000000 ] - [ -0.0001885900000000, 0.0000748100000000, 0.0001889000000000 ] - [ -0.0015323700000000, -0.0052666800000000, 0.0095999100000000 ] - [ 0.0000208700000000, -0.0000979500000000, -0.0001357400000000 ] - [ 0.0024052200000000, -0.0009179900000000, 0.0074949300000000 ] - [ -0.0001683100000000, 0.0000445800000000, 0.0000895700000000 ] - [ -0.0020084900000000, -0.0092187600000000, -0.0250005900000000 ] - [ -0.0001304200000000, 0.0000727700000000, 0.0000196400000000 ] - [ 0.0039159000000000, -0.0269352600000000, 0.0071403800000000 ] - [ 0.0000133800000000, -0.0000477400000000, -0.0000257900000000 ] - [ 0.0010214200000000, -0.0084459900000000, -0.0012786100000000 ] - [ -0.0000638800000000, -0.0002607600000000, 0.0000071800000000 ] - [ -0.0130656200000000, 0.1226876300000000, 0.0110517500000000 ] - [ -0.0001471900000000, 0.0001060400000000, 0.0000133000000000 ] - [ 0.0015664100000000, -0.0017513000000000, 0.0015248200000000 ] - [ -0.0001048700000000, -0.0000002900000000, 0.0000472400000000 ] - [ -0.0054597300000000, 0.0062650200000000, 0.0044138700000000 ] - [ -0.0001101700000000, 0.0001836200000000, -0.0000570000000000 ] - [ 0.0019379200000000, -0.0023759600000000, 0.0010940900000000 ] - [ -0.0000156900000000, -0.0002300800000000, -0.0001000000000000 ] - [ 0.0250823900000000, -0.0053022200000000, 0.0020926500000000 ] - [ -0.0001340500000000, 0.0000375100000000, -0.0001268700000000 ] - [ -0.0024413100000000, 0.0006321600000000, -0.0031193400000000 ] - [ -0.0000719100000000, 0.0001655000000000, -0.0000948000000000 ] - [ 0.0001472900000000, -0.0017616400000000, -0.0004454700000000 ] - [ 0.0001275700000000, -0.0001901600000000, -0.0000657500000000 ] - [ 0.0013850000000000, -0.0011736100000000, -0.0003708400000000 ] - [ 0.0000285900000000, -0.0002527900000000, 0.0001297100000000 ] - [ -0.0086629100000000, -0.0051247200000000, -0.0025360000000000 ] - [ 0.0004414300000000, -0.0000178700000000, -0.0000168900000000 ] - [ 0.0009985500000000, 0.0006339200000000, -0.0000235200000000 ] - [ -0.0006528700000000, -0.0001522800000000, 0.0000546900000000 ]- atom: 89 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ -0.0017316400000000, 0.0027073700000000, 0.0057734400000000 ] - [ -0.0005222900000000, 0.0002163900000000, -0.0001264400000000 ] - [ 0.0010847000000000, 0.0020968600000000, -0.0020709900000000 ] - [ -0.0001160500000000, 0.0000510000000000, 0.0001839900000000 ] - [ 0.0014144300000000, -0.0017465200000000, 0.0007877400000000 ] - [ -0.0003340000000000, 0.0002097600000000, -0.0000120900000000 ] - [ -0.0004656000000000, 0.0003812700000000, -0.0004621900000000 ] - [ 0.0001759800000000, 0.0003062400000000, 0.0001032700000000 ] - [ 0.0031973300000000, 0.0027005200000000, -0.0019472200000000 ] - [ -0.0009334700000000, -0.0000001100000000, -0.0000354800000000 ] - [ -0.0006589600000000, -0.0003300600000000, -0.0004046600000000 ] - [ 0.0002661800000000, 0.0008778200000000, -0.0011688100000000 ] - [ -0.0004454700000000, -0.0015368400000000, 0.0028161300000000 ] - [ -0.0004508000000000, 0.0005003700000000, 0.0009224500000000 ] - [ -0.0011531900000000, -0.0016693400000000, -0.0020777600000000 ] - [ -0.0004952000000000, -0.0000116800000000, 0.0001056200000000 ] - [ 0.0016588100000000, -0.0008980300000000, -0.0086687100000000 ] - [ -0.0004401200000000, 0.0000450900000000, -0.0000502300000000 ] - [ 0.0019129500000000, 0.0015995100000000, 0.0039149600000000 ] - [ -0.0005519800000000, -0.0000563100000000, 0.0000075100000000 ] - [ 0.0007892800000000, -0.0006764700000000, -0.0007981700000000 ] - [ -0.0009295400000000, -0.0015797600000000, -0.0018985700000000 ] - [ 0.0001599400000000, -0.0004361900000000, 0.0014571200000000 ] - [ -0.0017538900000000, 0.0008267600000000, 0.0003655200000000 ] - [ -0.0022738800000000, -0.0024923200000000, 0.0021986500000000 ] - [ -0.0008967700000000, -0.0003081000000000, 0.0012726000000000 ] - [ 0.0064212200000000, -0.0013967700000000, -0.0056124000000000 ] - [ -0.0006295300000000, 0.0001471800000000, -0.0000259600000000 ] - [ -0.0096265500000000, -0.0025643700000000, -0.0094539400000000 ] - [ -0.0001131900000000, 0.0001906500000000, -0.0001392600000000 ] - [ -0.0083724300000000, 0.0053735100000000, 0.0038398400000000 ] - [ -0.0008779000000000, 0.0000916900000000, 0.0013339700000000 ] - [ 0.0009441800000000, 0.0011492400000000, -0.0038127100000000 ] - [ -0.0009549100000000, 0.0002813300000000, -0.0001644900000000 ] - [ 0.0047922100000000, 0.0183325300000000, 0.0218960600000000 ] - [ -0.0009088700000000, -0.0000305800000000, -0.0000252200000000 ] - [ -0.0030751400000000, -0.0033150200000000, 0.0335924300000000 ] - [ -0.0010028700000000, 0.0003326800000000, -0.0002680200000000 ] - [ 0.0003665500000000, -0.0009427200000000, -0.0024771100000000 ] - [ -0.0011420800000000, -0.0001281100000000, -0.0005742100000000 ] - [ -0.0025086700000000, -0.0069560900000000, -0.0040303000000000 ] - [ -0.0008654300000000, 0.0000427000000000, 0.0000745200000000 ] - [ -0.0141813800000000, -0.0065808100000000, 0.0259324700000000 ] - [ -0.0009370400000000, -0.0005505100000000, -0.0001306800000000 ] - [ 0.0072444200000000, 0.0031214100000000, -0.0017166700000000 ] - [ 0.0006991600000000, 0.0003262700000000, -0.0004419200000000 ] - [ -0.0000798000000000, 0.0004162300000000, 0.0000301900000000 ] - [ 0.0005478200000000, 0.0000098900000000, 0.0003919600000000 ] - [ 0.0015712600000000, 0.0006006500000000, -0.0003269300000000 ] - [ 0.0002319100000000, -0.0002022700000000, -0.0002650500000000 ] - [ 0.0003599300000000, 0.0008269400000000, -0.0012836800000000 ] - [ 0.0000175300000000, -0.0002275000000000, -0.0006313100000000 ] - [ -0.0002333100000000, 0.0007701600000000, -0.0004990300000000 ] - [ 0.0004441200000000, 0.0001138700000000, 0.0000186000000000 ] - [ -0.0007349200000000, 0.0002958300000000, 0.0008827900000000 ] - [ 0.0021723800000000, 0.0014913100000000, 0.0004656100000000 ] - [ -0.0003254500000000, -0.0003198200000000, -0.0009411400000000 ] - [ 0.0018476900000000, -0.0006081100000000, -0.0006284600000000 ] - [ 0.0005858300000000, 0.0000014700000000, 0.0005023100000000 ] - [ -0.0018924200000000, 0.0001836000000000, 0.0017379000000000 ] - [ -0.0002906400000000, 0.0008556100000000, -0.0038731100000000 ] - [ 0.0016709500000000, 0.0004224800000000, -0.0010011700000000 ] - [ 0.0012276200000000, 0.0015393200000000, 0.0023712800000000 ] - [ -0.0000067600000000, 0.0000868200000000, -0.0000042900000000 ] - [ 0.0017006300000000, -0.0018073000000000, 0.0000053700000000 ] - [ 0.0001546600000000, 0.0001267500000000, -0.0000914000000000 ] - [ 0.0013674100000000, -0.0010575100000000, 0.0019407400000000 ] - [ 0.0001670000000000, -0.0000476300000000, -0.0001430100000000 ] - [ -0.0023324300000000, 0.0015579500000000, 0.0089479100000000 ] - [ 0.0002804700000000, -0.0001016700000000, 0.0001748300000000 ] - [ -0.0053751500000000, -0.0025160100000000, -0.0002335700000000 ] - [ 0.0007931700000000, -0.0002919600000000, -0.0000019600000000 ] - [ 0.0098910700000000, -0.0017863100000000, 0.0052975200000000 ] - [ 0.0004856500000000, -0.0001650600000000, -0.0002002500000000 ] - [ -0.0024743700000000, -0.0003931800000000, 0.0010044600000000 ] - [ 0.0006161200000000, -0.0001348000000000, -0.0000279000000000 ] - [ 0.0046089700000000, -0.0128251900000000, 0.0042328300000000 ] - [ 0.0007291400000000, -0.0001186000000000, 0.0000063300000000 ] - [ -0.0024716100000000, -0.0084189900000000, 0.0062891200000000 ] - [ 0.0004300200000000, -0.0001494900000000, -0.0000484100000000 ] - [ 0.0057911500000000, 0.0023559700000000, 0.0287283600000000 ] - [ 0.0003274700000000, -0.0000849900000000, 0.0000505200000000 ] - [ 0.0018244700000000, 0.0246309000000000, 0.0056022100000000 ] - [ 0.0001690900000000, -0.0000627500000000, -0.0000074100000000 ] - [ 0.0001000300000000, -0.0054902400000000, 0.0021440000000000 ] - [ 0.0002745700000000, -0.0000436300000000, 0.0000458100000000 ] - [ 0.0002637900000000, 0.0020952000000000, 0.0035239300000000 ] - [ 0.0004866500000000, -0.0002860600000000, 0.0001258400000000 ] - [ 0.0105232200000000, -0.0117565600000000, -0.1412863200000000 ] - [ 0.0003839700000000, 0.0000062200000000, 0.0000965300000000 ] - [ -0.0007015200000000, 0.0001988100000000, 0.0033591000000000 ] - [ 0.0007067400000000, 0.0000755500000000, 0.0002258700000000 ] - [ -0.0277823900000000, -0.0017760100000000, 0.0087050400000000 ] - [ 0.0007200000000000, 0.0001258400000000, -0.0001130400000000 ] - [ 0.0007426100000000, 0.0010960900000000, 0.0017956600000000 ] - [ 0.0004955200000000, -0.0000762600000000, 0.0002018000000000 ] - [ 0.0050077900000000, -0.0052251500000000, -0.0070964000000000 ] - [ 0.0005039100000000, 0.0000607700000000, -0.0000996000000000 ] - [ 0.0106918700000000, 0.0051346200000000, 0.0085391000000000 ] - [ 0.0001458000000000, 0.0001056700000000, 0.0000352700000000 ] - [ -0.0005500600000000, -0.0006835900000000, 0.0035059100000000 ] - [ 0.0004461800000000, -0.0000207200000000, 0.0001760600000000 ] - [ -0.0009392200000000, -0.0000841300000000, 0.0000710000000000 ] - [ 0.0008255800000000, -0.0000821500000000, 0.0002255000000000 ] - [ 0.0021567300000000, 0.0023107300000000, -0.0018911300000000 ] - [ 0.0004344100000000, 0.0000509900000000, -0.0000299300000000 ] - [ -0.0011003400000000, 0.0013976400000000, 0.0011781100000000 ] - [ 0.0005889600000000, 0.0001983000000000, 0.0001050200000000 ]- atom: 89 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ 0.0011295400000000, -0.0020846600000000, -0.0055250600000000 ] - [ 0.0002523500000000, 0.0001070400000000, 0.0001266200000000 ] - [ -0.0009021300000000, -0.0018732400000000, 0.0023147700000000 ] - [ 0.0003166400000000, 0.0002087400000000, 0.0000401900000000 ] - [ -0.0016192900000000, 0.0020191500000000, -0.0010395800000000 ] - [ 0.0001420600000000, 0.0000470000000000, -0.0002173800000000 ] - [ 0.0007555100000000, -0.0000685900000000, 0.0004864400000000 ] - [ 0.0001030600000000, 0.0000171500000000, -0.0000972400000000 ] - [ -0.0030623800000000, -0.0027059500000000, 0.0019464800000000 ] - [ 0.0011285700000000, 0.0000197200000000, 0.0000283000000000 ] - [ 0.0004809400000000, 0.0002824100000000, 0.0005073600000000 ] - [ -0.0004469000000000, -0.0009429400000000, 0.0012824800000000 ] - [ 0.0006127000000000, 0.0015050400000000, -0.0029588100000000 ] - [ 0.0006567700000000, -0.0005708400000000, -0.0010405600000000 ] - [ 0.0009797400000000, 0.0017097300000000, 0.0020863300000000 ] - [ 0.0003246700000000, 0.0000359000000000, -0.0001052300000000 ] - [ -0.0017554500000000, 0.0009765500000000, 0.0088118200000000 ] - [ 0.0004229300000000, -0.0000132600000000, 0.0001548900000000 ] - [ -0.0019026100000000, -0.0015666100000000, -0.0040884200000000 ] - [ 0.0005872200000000, 0.0000905900000000, -0.0001093000000000 ] - [ -0.0005449400000000, 0.0007702900000000, 0.0007675000000000 ] - [ 0.0012227900000000, 0.0016969500000000, 0.0018769500000000 ] - [ -0.0001285200000000, 0.0002672200000000, -0.0015737000000000 ] - [ 0.0018110300000000, -0.0010134500000000, -0.0004602700000000 ] - [ 0.0018267300000000, 0.0024231200000000, -0.0022697000000000 ] - [ 0.0004076300000000, 0.0001719700000000, -0.0013634900000000 ] - [ -0.0059499300000000, 0.0013076100000000, 0.0058184000000000 ] - [ 0.0011370500000000, -0.0002945100000000, 0.0001071100000000 ] - [ 0.0097797300000000, 0.0024013700000000, 0.0096086300000000 ] - [ 0.0000797500000000, -0.0003770200000000, 0.0002268600000000 ] - [ 0.0081901200000000, -0.0053453200000000, -0.0038857400000000 ] - [ 0.0006335700000000, -0.0000056100000000, -0.0013225600000000 ] - [ -0.0009506200000000, -0.0012511100000000, 0.0041387400000000 ] - [ 0.0010065100000000, -0.0004046100000000, 0.0003802800000000 ] - [ -0.0047787700000000, -0.0185969500000000, -0.0221677300000000 ] - [ 0.0010315700000000, 0.0000188800000000, -0.0002399900000000 ] - [ 0.0030412500000000, 0.0038378300000000, -0.0382953900000000 ] - [ 0.0013095200000000, -0.0002839700000000, 0.0001024200000000 ] - [ -0.0006731700000000, 0.0010030800000000, 0.0026517400000000 ] - [ 0.0008827700000000, 0.0001897300000000, 0.0007530200000000 ] - [ 0.0023755800000000, 0.0069323800000000, 0.0044023600000000 ] - [ 0.0007790900000000, -0.0000530600000000, 0.0001946700000000 ] - [ 0.0144764800000000, 0.0066217600000000, -0.0263447800000000 ] - [ 0.0009220700000000, 0.0004387100000000, -0.0000732600000000 ] - [ -0.0072797300000000, -0.0033460600000000, 0.0019232300000000 ] - [ -0.0005640400000000, -0.0004789600000000, 0.0005412300000000 ] - [ 0.0001903600000000, -0.0003641000000000, -0.0000967100000000 ] - [ -0.0004573000000000, 0.0000424200000000, -0.0004666400000000 ] - [ -0.0017102900000000, -0.0008307200000000, 0.0002512000000000 ] - [ -0.0003896500000000, -0.0000243500000000, 0.0002211500000000 ] - [ -0.0004822800000000, -0.0008733000000000, 0.0014458800000000 ] - [ -0.0001317000000000, 0.0001960500000000, 0.0007857800000000 ] - [ 0.0003425600000000, -0.0004715200000000, 0.0005251000000000 ] - [ -0.0003434900000000, 0.0001899400000000, -0.0000024700000000 ] - [ 0.0008779100000000, -0.0003254000000000, -0.0009995400000000 ] - [ -0.0020888800000000, -0.0015419700000000, -0.0005778100000000 ] - [ 0.0004588700000000, 0.0004485500000000, 0.0011119200000000 ] - [ -0.0017385200000000, 0.0007505600000000, 0.0007901700000000 ] - [ -0.0005960100000000, 0.0000246400000000, -0.0006513000000000 ] - [ 0.0019022800000000, -0.0001639200000000, -0.0018950200000000 ] - [ 0.0003171400000000, -0.0008525600000000, 0.0040542600000000 ] - [ -0.0017006400000000, -0.0004039900000000, 0.0011524000000000 ] - [ -0.0013824600000000, -0.0014370800000000, -0.0025462400000000 ] - [ -0.0001246800000000, 0.0000459800000000, -0.0001449200000000 ] - [ -0.0018496400000000, 0.0018053000000000, 0.0001113300000000 ] - [ -0.0002905400000000, -0.0001568400000000, 0.0002062700000000 ] - [ -0.0014960800000000, 0.0014011500000000, -0.0019576800000000 ] - [ -0.0002760500000000, 0.0003609100000000, 0.0001381300000000 ] - [ 0.0024028200000000, -0.0016359400000000, -0.0091618100000000 ] - [ -0.0001702600000000, 0.0000696300000000, -0.0003249600000000 ] - [ 0.0056489200000000, 0.0023504900000000, 0.0001916400000000 ] - [ -0.0006594000000000, 0.0000692500000000, 0.0000426800000000 ] - [ -0.0101566100000000, 0.0018654500000000, -0.0052530000000000 ] - [ -0.0006025000000000, 0.0002244500000000, 0.0002810800000000 ] - [ 0.0023458400000000, 0.0002398700000000, -0.0011160000000000 ] - [ -0.0007754000000000, -0.0000095500000000, -0.0000660900000000 ] - [ -0.0045997000000000, 0.0130855900000000, -0.0040424500000000 ] - [ -0.0006883400000000, 0.0001571600000000, 0.0001900000000000 ] - [ 0.0024977500000000, 0.0080957700000000, -0.0064526600000000 ] - [ -0.0004070400000000, -0.0000345100000000, -0.0001466200000000 ] - [ -0.0060280200000000, -0.0024908400000000, -0.0292208700000000 ] - [ -0.0004777000000000, 0.0000041500000000, 0.0000488900000000 ] - [ -0.0020366700000000, -0.0250656300000000, -0.0055445100000000 ] - [ -0.0003636100000000, 0.0000366600000000, 0.0000715800000000 ] - [ -0.0000527900000000, 0.0057633400000000, -0.0021432600000000 ] - [ -0.0002068200000000, 0.0000835400000000, -0.0000162600000000 ] - [ -0.0003357000000000, -0.0023328300000000, -0.0034328300000000 ] - [ -0.0005832600000000, 0.0000320200000000, -0.0000046100000000 ] - [ -0.0104235600000000, 0.0109467100000000, 0.1463931100000000 ] - [ -0.0006083900000000, -0.0000421900000000, -0.0000503200000000 ] - [ 0.0008434100000000, -0.0000567100000000, -0.0032517200000000 ] - [ -0.0005965000000000, 0.0000717100000000, -0.0000958100000000 ] - [ 0.0281884100000000, 0.0019568200000000, -0.0088491600000000 ] - [ -0.0008609600000000, 0.0000216900000000, -0.0000179300000000 ] - [ -0.0005174400000000, -0.0011273800000000, -0.0018697200000000 ] - [ -0.0002877100000000, 0.0000417000000000, -0.0002562500000000 ] - [ -0.0050943200000000, 0.0051579500000000, 0.0068924700000000 ] - [ -0.0004277500000000, -0.0003186400000000, -0.0000229800000000 ] - [ -0.0105936800000000, -0.0050448900000000, -0.0085218100000000 ] - [ -0.0002201900000000, -0.0000710600000000, -0.0000715300000000 ] - [ 0.0007528500000000, 0.0006703100000000, -0.0035996100000000 ] - [ -0.0002637200000000, -0.0000078200000000, -0.0002418700000000 ] - [ 0.0010985400000000, 0.0000050100000000, -0.0001527000000000 ] - [ -0.0006940900000000, 0.0000000400000000, -0.0003248400000000 ] - [ -0.0022598100000000, -0.0025683000000000, 0.0020411400000000 ] - [ -0.0004718700000000, -0.0002390000000000, 0.0002212400000000 ] - [ 0.0010697800000000, -0.0013800800000000, -0.0013770700000000 ] - [ -0.0006629400000000, -0.0001668800000000, -0.0003004900000000 ]- atom: 91 displacement: [ 0.0099999998153085, 0.0000000000000000, -0.0000019219340075 ] forces: - [ 0.0006322500000000, 0.0000331300000000, -0.0003130800000000 ] - [ -0.0011585000000000, 0.0000947100000000, -0.0000276100000000 ] - [ 0.0073387700000000, -0.0052062600000000, 0.0005381700000000 ] - [ -0.0010239000000000, -0.0002885400000000, 0.0004984600000000 ] - [ 0.0022731900000000, -0.0018552700000000, -0.0019908500000000 ] - [ -0.0012042200000000, 0.0006000600000000, 0.0003254400000000 ] - [ 0.0006204500000000, -0.0014759800000000, 0.0012585700000000 ] - [ -0.0011699200000000, 0.0002307600000000, -0.0001737100000000 ] - [ 0.0011694700000000, 0.0023141700000000, -0.0027886700000000 ] - [ -0.0023047000000000, -0.0001766600000000, 0.0004582300000000 ] - [ -0.0036151600000000, 0.0021019300000000, 0.0027797900000000 ] - [ -0.0056923400000000, -0.0021031800000000, -0.0012706200000000 ] - [ -0.0009934100000000, 0.0007243600000000, 0.0003276900000000 ] - [ -0.0005907400000000, -0.0008682600000000, -0.0010167300000000 ] - [ 0.0246686100000000, -0.0146717600000000, -0.0161273200000000 ] - [ -0.0032924800000000, 0.0000053900000000, 0.0000314000000000 ] - [ 0.0074840000000000, 0.0002133900000000, 0.0014234100000000 ] - [ -0.0024955700000000, 0.0003913100000000, -0.0000912300000000 ] - [ 0.0072801600000000, 0.0009318800000000, -0.0013157100000000 ] - [ -0.0024017300000000, -0.0003561600000000, -0.0000840600000000 ] - [ -0.0066221800000000, -0.0104027800000000, 0.0022656000000000 ] - [ -0.0072499900000000, -0.0007072600000000, 0.0012184500000000 ] - [ -0.0058949900000000, 0.0015729600000000, -0.0083865900000000 ] - [ -0.0069376900000000, 0.0003161000000000, 0.0006619800000000 ] - [ 0.0002094400000000, 0.0039810200000000, -0.0001868000000000 ] - [ -0.0041438300000000, -0.0021755400000000, 0.0013799900000000 ] - [ -0.0015260600000000, 0.0075441000000000, -0.0049805700000000 ] - [ -0.0049841100000000, 0.0004371300000000, 0.0031131300000000 ] - [ 0.0014256200000000, -0.0001796400000000, 0.0009803100000000 ] - [ -0.0044461600000000, -0.0010703100000000, -0.0000583800000000 ] - [ -0.0003651000000000, -0.0061346300000000, 0.0050574800000000 ] - [ -0.0046274000000000, 0.0032633000000000, -0.0006036500000000 ] - [ 0.0350791400000000, -0.0053767700000000, -0.0224340200000000 ] - [ -0.0053522900000000, 0.0020397500000000, -0.0007159600000000 ] - [ 0.0079309700000000, 0.0038542900000000, -0.0014923100000000 ] - [ -0.0044646500000000, -0.0001813400000000, 0.0001978800000000 ] - [ 0.0076959300000000, 0.0002657800000000, 0.0014245000000000 ] - [ -0.0047705900000000, 0.0011774900000000, -0.0020354600000000 ] - [ 0.0999590300000000, -0.0035545200000000, 0.0061520800000000 ] - [ -0.0059917900000000, -0.0014648300000000, -0.0020848000000000 ] - [ 0.0117003700000000, 0.0090515100000000, 0.0102536700000000 ] - [ -0.0047244400000000, -0.0000282600000000, 0.0002575400000000 ] - [ 0.0067013900000000, 0.0037726700000000, 0.0024416700000000 ] - [ -0.0044770400000000, -0.0018191000000000, -0.0010262600000000 ] - [ -0.0027740400000000, -0.0018142600000000, 0.0002459400000000 ] - [ 0.0029206900000000, 0.0009325400000000, -0.0001915800000000 ] - [ 0.0247879000000000, 0.0047778700000000, 0.0019627800000000 ] - [ 0.0035453600000000, 0.0004738300000000, 0.0000176500000000 ] - [ -0.0005894800000000, -0.0017593600000000, -0.0018201000000000 ] - [ 0.0028970700000000, 0.0004282100000000, -0.0004201000000000 ] - [ 0.0003766000000000, -0.0020300500000000, 0.0029237200000000 ] - [ 0.0010916500000000, 0.0006799500000000, -0.0008192600000000 ] - [ 0.0007987000000000, 0.0023957800000000, 0.0020253000000000 ] - [ 0.0014694100000000, -0.0002127700000000, -0.0005108300000000 ] - [ 0.0024495200000000, 0.0027681300000000, 0.0004282600000000 ] - [ 0.0023039100000000, -0.0005396300000000, -0.0004877500000000 ] - [ 0.0016545700000000, -0.0019850500000000, 0.0014293900000000 ] - [ 0.0019514800000000, 0.0008783400000000, -0.0005340100000000 ] - [ 0.0032116800000000, 0.0009334300000000, -0.0032666700000000 ] - [ 0.0023389100000000, -0.0001247500000000, -0.0002237000000000 ] - [ 0.0017516700000000, 0.0005811400000000, -0.0015048300000000 ] - [ 0.0009822800000000, -0.0004787200000000, 0.0005693800000000 ] - [ 0.0062595100000000, -0.0052237700000000, 0.0011491400000000 ] - [ 0.0036665800000000, 0.0014641200000000, -0.0008383200000000 ] - [ 0.0079127600000000, 0.0035295100000000, -0.0060354100000000 ] - [ 0.0038879700000000, -0.0020403700000000, 0.0009550900000000 ] - [ 0.0029954400000000, 0.0056925200000000, -0.0014734400000000 ] - [ 0.0016051400000000, -0.0003956100000000, 0.0000817700000000 ] - [ -0.0005363200000000, -0.0015962700000000, 0.0004510500000000 ] - [ 0.0009412300000000, 0.0002173100000000, -0.0008502300000000 ] - [ -0.0019235000000000, -0.0010544600000000, 0.0025428400000000 ] - [ 0.0026117100000000, -0.0001069200000000, -0.0011197600000000 ] - [ -0.0017763000000000, 0.0008874900000000, -0.0009549000000000 ] - [ 0.0022210000000000, -0.0005898000000000, 0.0006124400000000 ] - [ 0.0062826400000000, -0.0037492900000000, 0.0161565000000000 ] - [ 0.0039226500000000, -0.0009330000000000, -0.0010186900000000 ] - [ -0.0035433300000000, 0.0025607300000000, -0.0018632000000000 ] - [ 0.0031756800000000, -0.0005707100000000, 0.0002640400000000 ] - [ -0.0039398600000000, -0.0038595100000000, 0.0041859500000000 ] - [ 0.0024007100000000, -0.0005088700000000, -0.0002603400000000 ] - [ -0.0043495500000000, 0.0000042100000000, -0.0004007600000000 ] - [ 0.0027478600000000, -0.0001401000000000, 0.0007089900000000 ] - [ -0.0034785200000000, -0.0033754800000000, -0.0020304900000000 ] - [ 0.0013499200000000, -0.0001998300000000, 0.0003091600000000 ] - [ -0.0040138700000000, -0.0024158000000000, 0.0077086200000000 ] - [ 0.0011335400000000, -0.0003337300000000, 0.0000971800000000 ] - [ -0.0118884600000000, 0.0074703400000000, 0.0034746000000000 ] - [ 0.0026033800000000, -0.0009835100000000, 0.0001837100000000 ] - [ -0.0039146500000000, -0.0015197800000000, -0.0007545000000000 ] - [ 0.0020111900000000, 0.0001458200000000, 0.0007116400000000 ] - [ -0.2143455300000000, 0.0288867400000000, 0.0261177000000000 ] - [ 0.0037560500000000, -0.0000126500000000, 0.0005468400000000 ] - [ -0.0056382000000000, -0.0002658100000000, 0.0001387900000000 ] - [ 0.0031350200000000, 0.0001169400000000, 0.0002986900000000 ] - [ 0.0041277500000000, -0.0053442600000000, -0.0282138300000000 ] - [ 0.0025462400000000, -0.0000618500000000, 0.0007659700000000 ] - [ -0.0053390700000000, -0.0014330500000000, -0.0002440500000000 ] - [ 0.0026603500000000, 0.0005390400000000, 0.0000484500000000 ] - [ -0.0022691900000000, -0.0027494800000000, -0.0023990100000000 ] - [ 0.0010082400000000, 0.0003943400000000, 0.0002140500000000 ] - [ 0.0030104100000000, -0.0167746600000000, -0.0065480300000000 ] - [ 0.0015104400000000, 0.0003315500000000, 0.0002948200000000 ] - [ 0.0053970500000000, -0.0006994500000000, 0.0148925000000000 ] - [ 0.0032926200000000, 0.0003310600000000, 0.0005446500000000 ] - [ -0.0028305200000000, -0.0020239000000000, -0.0013672700000000 ] - [ 0.0020489300000000, 0.0004557200000000, 0.0000607800000000 ] - [ 0.0050330600000000, 0.0147120700000000, -0.0007877300000000 ] - [ 0.0037161200000000, 0.0004976500000000, -0.0000206600000000 ]- atom: 91 displacement: [ -0.0099999998153085, 0.0000000000000000, 0.0000019219340075 ] forces: - [ -0.0009177000000000, 0.0002770000000000, 0.0002988700000000 ] - [ 0.0008766500000000, 0.0002229100000000, 0.0000199700000000 ] - [ -0.0071572300000000, 0.0053323800000000, -0.0002935200000000 ] - [ 0.0012097400000000, 0.0005446300000000, -0.0002699600000000 ] - [ -0.0024299500000000, 0.0020955400000000, 0.0017510000000000 ] - [ 0.0010013100000000, -0.0003378400000000, -0.0005484500000000 ] - [ -0.0003273000000000, 0.0017841900000000, -0.0012416300000000 ] - [ 0.0014350300000000, 0.0000878900000000, 0.0001819700000000 ] - [ -0.0009671300000000, -0.0022687400000000, 0.0027586500000000 ] - [ 0.0024673300000000, 0.0001973200000000, -0.0004580700000000 ] - [ 0.0034023900000000, -0.0021224400000000, -0.0026422300000000 ] - [ 0.0055075500000000, 0.0020566700000000, 0.0013891600000000 ] - [ 0.0011572000000000, -0.0007686000000000, -0.0004282100000000 ] - [ 0.0007741600000000, 0.0008053200000000, 0.0009044300000000 ] - [ -0.0257407400000000, 0.0157244000000000, 0.0172688400000000 ] - [ 0.0030808800000000, 0.0000153800000000, -0.0000313000000000 ] - [ -0.0074246800000000, -0.0001256300000000, -0.0013183200000000 ] - [ 0.0024479300000000, -0.0003554100000000, 0.0001881500000000 ] - [ -0.0071601600000000, -0.0009002700000000, 0.0012085600000000 ] - [ 0.0024099600000000, 0.0003869000000000, -0.0000134100000000 ] - [ 0.0068624700000000, 0.0103388600000000, -0.0022609300000000 ] - [ 0.0074768700000000, 0.0007718400000000, -0.0012249200000000 ] - [ 0.0058675200000000, -0.0017392000000000, 0.0081560700000000 ] - [ 0.0069310200000000, -0.0005043900000000, -0.0007704100000000 ] - [ -0.0006884000000000, -0.0040718700000000, 0.0000791100000000 ] - [ 0.0035941600000000, 0.0020247500000000, -0.0014502600000000 ] - [ 0.0019522700000000, -0.0076847400000000, 0.0050808600000000 ] - [ 0.0054545900000000, -0.0005800600000000, -0.0030027300000000 ] - [ -0.0014772800000000, -0.0000140000000000, -0.0008687800000000 ] - [ 0.0043799600000000, 0.0008708700000000, 0.0001632400000000 ] - [ 0.0000388900000000, 0.0062199400000000, -0.0050202300000000 ] - [ 0.0043240500000000, -0.0031482000000000, 0.0006126900000000 ] - [ -0.0349532800000000, 0.0052803700000000, 0.0222472000000000 ] - [ 0.0053468200000000, -0.0021161200000000, 0.0009243700000000 ] - [ -0.0077872700000000, -0.0037733000000000, 0.0011979100000000 ] - [ 0.0045294600000000, 0.0001709800000000, -0.0004542900000000 ] - [ -0.0073650200000000, -0.0001881500000000, -0.0015955600000000 ] - [ 0.0050107900000000, -0.0011123400000000, 0.0018512200000000 ] - [ -0.0928435600000000, 0.0034630000000000, -0.0053215500000000 ] - [ 0.0056738100000000, 0.0015095200000000, 0.0022382500000000 ] - [ -0.0116153500000000, -0.0090183400000000, -0.0099220800000000 ] - [ 0.0045857600000000, 0.0000244900000000, 0.0000061700000000 ] - [ -0.0066572600000000, -0.0038279200000000, -0.0026402000000000 ] - [ 0.0044022500000000, 0.0017086500000000, 0.0008066800000000 ] - [ 0.0028974600000000, 0.0016356400000000, -0.0001537000000000 ] - [ -0.0027300400000000, -0.0010857300000000, 0.0002754300000000 ] - [ -0.0241792200000000, -0.0046539700000000, -0.0020091200000000 ] - [ -0.0034063900000000, -0.0004251500000000, -0.0001013400000000 ] - [ 0.0004227000000000, 0.0015237200000000, 0.0017842900000000 ] - [ -0.0030076100000000, -0.0006456000000000, 0.0003839000000000 ] - [ -0.0004982000000000, 0.0019800100000000, -0.0027116100000000 ] - [ -0.0012048100000000, -0.0006978700000000, 0.0009835200000000 ] - [ -0.0006898900000000, -0.0020411100000000, -0.0019806600000000 ] - [ -0.0013526900000000, 0.0005386900000000, 0.0005275400000000 ] - [ -0.0023101700000000, -0.0027441000000000, -0.0005275400000000 ] - [ -0.0021635700000000, 0.0005295300000000, 0.0003795000000000 ] - [ -0.0015185500000000, 0.0020872800000000, -0.0012648400000000 ] - [ -0.0018035800000000, -0.0007494200000000, 0.0006743300000000 ] - [ -0.0032100400000000, -0.0009053700000000, 0.0030836400000000 ] - [ -0.0023234600000000, 0.0001411000000000, 0.0000646800000000 ] - [ -0.0017012700000000, -0.0005630000000000, 0.0016435000000000 ] - [ -0.0009648800000000, 0.0004909900000000, -0.0004088200000000 ] - [ -0.0063628900000000, 0.0053659400000000, -0.0012955600000000 ] - [ -0.0037631900000000, -0.0013190900000000, 0.0006866700000000 ] - [ -0.0080123500000000, -0.0035437700000000, 0.0061725200000000 ] - [ -0.0039714400000000, 0.0020015600000000, -0.0008352300000000 ] - [ -0.0030960100000000, -0.0053869500000000, 0.0014573800000000 ] - [ -0.0016945000000000, 0.0007153600000000, -0.0000975000000000 ] - [ 0.0006696000000000, 0.0015726300000000, -0.0006301200000000 ] - [ -0.0008117200000000, -0.0002326700000000, 0.0006735800000000 ] - [ 0.0020883500000000, 0.0008298500000000, -0.0025135400000000 ] - [ -0.0024540000000000, -0.0001119700000000, 0.0011367600000000 ] - [ 0.0016655800000000, -0.0008419500000000, 0.0010393600000000 ] - [ -0.0023206000000000, 0.0006287300000000, -0.0005204100000000 ] - [ -0.0065464200000000, 0.0036267100000000, -0.0164379200000000 ] - [ -0.0040569100000000, 0.0007658400000000, 0.0009209700000000 ] - [ 0.0036272600000000, -0.0024748400000000, 0.0020193300000000 ] - [ -0.0030846700000000, 0.0006083400000000, -0.0000684000000000 ] - [ 0.0040146100000000, 0.0035925300000000, -0.0042536500000000 ] - [ -0.0023403300000000, 0.0003329600000000, 0.0000772300000000 ] - [ 0.0042047000000000, -0.0000801800000000, 0.0004809700000000 ] - [ -0.0028581500000000, 0.0000609500000000, -0.0006228100000000 ] - [ 0.0032872700000000, 0.0032685500000000, 0.0020346100000000 ] - [ -0.0015245400000000, 0.0001658600000000, -0.0002568500000000 ] - [ 0.0040007600000000, 0.0023687500000000, -0.0075240600000000 ] - [ -0.0010445600000000, 0.0003561500000000, -0.0000763700000000 ] - [ 0.0116865900000000, -0.0076122600000000, -0.0032331300000000 ] - [ -0.0026843600000000, 0.0006869200000000, -0.0000572900000000 ] - [ 0.0036586400000000, 0.0014716200000000, 0.0008209400000000 ] - [ -0.0022149200000000, -0.0001681900000000, -0.0006396100000000 ] - [ 0.2074587700000000, -0.0295629000000000, -0.0273565000000000 ] - [ -0.0036212700000000, 0.0001576300000000, -0.0004032600000000 ] - [ 0.0054753500000000, 0.0004075000000000, -0.0002703400000000 ] - [ -0.0032184500000000, 0.0000291600000000, -0.0004327900000000 ] - [ -0.0039567900000000, 0.0052876400000000, 0.0277256800000000 ] - [ -0.0023017200000000, 0.0000381600000000, -0.0008290800000000 ] - [ 0.0053790600000000, 0.0011272900000000, 0.0001199800000000 ] - [ -0.0025371700000000, -0.0008157800000000, -0.0001733600000000 ] - [ 0.0021644200000000, 0.0027514000000000, 0.0023525700000000 ] - [ -0.0010772300000000, -0.0003727300000000, -0.0002387900000000 ] - [ -0.0028622600000000, 0.0164960100000000, 0.0064365000000000 ] - [ -0.0013119900000000, -0.0003654800000000, -0.0003400100000000 ] - [ -0.0052286700000000, 0.0006106300000000, -0.0146963500000000 ] - [ -0.0031345600000000, -0.0004070400000000, -0.0006170700000000 ] - [ 0.0027445600000000, 0.0018300700000000, 0.0015441400000000 ] - [ -0.0020704200000000, -0.0006284900000000, 0.0001168300000000 ] - [ -0.0051513800000000, -0.0144562300000000, 0.0005778000000000 ] - [ -0.0037563400000000, -0.0004460800000000, -0.0001728700000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006320100000000, -0.0006703000000000, -0.0002523700000000 ] - [ -0.0000459100000000, 0.0000751500000000, 0.0000586000000000 ] - [ -0.0013503800000000, -0.0024778100000000, 0.0013136800000000 ] - [ 0.0001393200000000, 0.0001324300000000, 0.0000873500000000 ] - [ -0.0009401200000000, -0.0000734800000000, -0.0012287500000000 ] - [ -0.0000560900000000, 0.0001179900000000, -0.0001695200000000 ] - [ 0.0002331600000000, 0.0007073500000000, -0.0000002000000000 ] - [ 0.0002145300000000, 0.0002655500000000, 0.0000934100000000 ] - [ 0.0008559700000000, -0.0014484800000000, 0.0009643900000000 ] - [ -0.0000440600000000, -0.0001849500000000, -0.0000758200000000 ] - [ 0.0005948200000000, 0.0003238200000000, 0.0000666200000000 ] - [ -0.0013744900000000, 0.0005806800000000, -0.0003369900000000 ] - [ 0.0003824200000000, -0.0004715900000000, -0.0000215800000000 ] - [ 0.0001629300000000, -0.0002395000000000, -0.0001574700000000 ] - [ -0.0195591800000000, 0.0228062600000000, 0.0175381700000000 ] - [ -0.0000626200000000, 0.0002849200000000, -0.0001797200000000 ] - [ -0.0017725800000000, -0.0060922500000000, 0.0025156500000000 ] - [ 0.0000353500000000, -0.0000956600000000, 0.0001237000000000 ] - [ 0.0003515900000000, 0.0006721100000000, 0.0006509200000000 ] - [ 0.0000570300000000, 0.0000805800000000, -0.0000416900000000 ] - [ -0.0055776300000000, -0.0001533200000000, 0.0001375700000000 ] - [ 0.0026879800000000, 0.0002272500000000, -0.0005806700000000 ] - [ 0.0002717400000000, 0.0008996200000000, -0.0003515100000000 ] - [ -0.0002308100000000, 0.0006855500000000, -0.0003641600000000 ] - [ 0.0009263100000000, -0.0001760500000000, -0.0012661200000000 ] - [ -0.0009360100000000, -0.0000728500000000, 0.0001855300000000 ] - [ 0.0035045400000000, 0.0002371700000000, 0.0017269100000000 ] - [ -0.0002159000000000, 0.0000334000000000, 0.0005726100000000 ] - [ -0.0004222200000000, -0.0059937000000000, -0.0008760900000000 ] - [ -0.0001528500000000, -0.0010795300000000, -0.0000978200000000 ] - [ -0.0032261000000000, 0.0002700600000000, 0.0019843200000000 ] - [ 0.0004739600000000, -0.0002652200000000, -0.0003843300000000 ] - [ -0.0011283300000000, 0.0208468100000000, -0.0018174400000000 ] - [ 0.0001388200000000, 0.0001085100000000, 0.0001833600000000 ] - [ -0.0011449900000000, 0.0015755400000000, 0.0011036500000000 ] - [ 0.0000410400000000, 0.0000155600000000, -0.0000482500000000 ] - [ 0.0001486500000000, -0.0066069600000000, 0.0002572900000000 ] - [ 0.0002563900000000, -0.0002230300000000, -0.0002133300000000 ] - [ 0.0007205100000000, 0.0148940000000000, 0.0003486900000000 ] - [ -0.0000126600000000, 0.0004548200000000, 0.0000413500000000 ] - [ 0.0046281200000000, -0.0011226700000000, -0.0052869000000000 ] - [ -0.0002153000000000, 0.0000021800000000, 0.0002706800000000 ] - [ -0.0008045700000000, -0.0023048700000000, -0.0010673600000000 ] - [ -0.0000443700000000, -0.0002243300000000, -0.0000755200000000 ] - [ 0.0000965000000000, 0.0005266200000000, 0.0001752200000000 ] - [ 0.0001244500000000, 0.0001764800000000, 0.0000385300000000 ] - [ -0.0020156100000000, 0.0012283300000000, 0.0001465100000000 ] - [ 0.0000081100000000, -0.0004426800000000, 0.0000756500000000 ] - [ -0.0018659400000000, -0.0003673500000000, 0.0013736100000000 ] - [ 0.0001666600000000, -0.0001376800000000, -0.0000757200000000 ] - [ -0.0002196900000000, -0.0004207600000000, 0.0004537800000000 ] - [ -0.0000131600000000, -0.0002731900000000, 0.0001212100000000 ] - [ 0.0002593100000000, -0.0005687500000000, 0.0006795500000000 ] - [ -0.0001729300000000, -0.0002153200000000, 0.0003126500000000 ] - [ 0.0002852900000000, 0.0013721400000000, 0.0000371400000000 ] - [ 0.0000288100000000, 0.0011347900000000, 0.0000962900000000 ] - [ -0.0003201000000000, -0.0001503400000000, 0.0001387000000000 ] - [ 0.0005842100000000, -0.0001472800000000, -0.0000560000000000 ] - [ 0.0005249900000000, -0.0002455500000000, -0.0009960800000000 ] - [ -0.0008217300000000, -0.0002334000000000, -0.0001815700000000 ] - [ 0.0007924000000000, 0.0000830300000000, -0.0003492700000000 ] - [ -0.0006041700000000, 0.0001160600000000, 0.0003817600000000 ] - [ -0.0047938000000000, 0.0035697900000000, -0.0010532300000000 ] - [ 0.0013916800000000, 0.0003798200000000, -0.0000997100000000 ] - [ 0.0003942900000000, -0.0019110900000000, -0.0000063300000000 ] - [ -0.0003793800000000, -0.0001090500000000, 0.0000240600000000 ] - [ 0.0028667400000000, 0.0043996700000000, -0.0005506500000000 ] - [ -0.0002691300000000, 0.0006226400000000, 0.0000834500000000 ] - [ 0.0000693400000000, 0.0011623600000000, 0.0001677900000000 ] - [ 0.0000498900000000, 0.0002352600000000, -0.0001599000000000 ] - [ -0.0006800800000000, -0.0000757100000000, -0.0005604600000000 ] - [ 0.0000971500000000, -0.0000793400000000, -0.0001775500000000 ] - [ -0.0000097400000000, 0.0011670500000000, 0.0000024800000000 ] - [ -0.0001254700000000, 0.0002777500000000, 0.0001907800000000 ] - [ 0.0007791800000000, -0.0043330000000000, -0.0004350400000000 ] - [ -0.0002291300000000, -0.0003868500000000, -0.0000168400000000 ] - [ 0.0017286600000000, 0.0042954000000000, -0.0030802400000000 ] - [ -0.0002303700000000, 0.0001652800000000, 0.0001503800000000 ] - [ -0.0019521600000000, 0.0039152200000000, -0.0106947200000000 ] - [ 0.0000982600000000, -0.0001627500000000, -0.0001984400000000 ] - [ -0.0001590800000000, 0.0032024800000000, -0.0000328400000000 ] - [ -0.0000140900000000, 0.0001219100000000, 0.0001746100000000 ] - [ -0.0001769800000000, 0.0047104600000000, 0.0046648600000000 ] - [ -0.0000991200000000, 0.0000294500000000, 0.0000595500000000 ] - [ -0.0004194600000000, -0.0024288700000000, 0.0034147700000000 ] - [ 0.0000189200000000, -0.0000659700000000, -0.0000284300000000 ] - [ -0.0024768800000000, 0.0035314100000000, 0.0106595600000000 ] - [ -0.0000717200000000, -0.0002063400000000, 0.0000307400000000 ] - [ 0.0003645000000000, 0.0018051600000000, 0.0001712600000000 ] - [ -0.0001324100000000, 0.0000606900000000, 0.0000350100000000 ] - [ 0.0299370500000000, -0.0685150800000000, -0.0274956200000000 ] - [ -0.0000349700000000, -0.0000375300000000, 0.0000607000000000 ] - [ 0.0002891100000000, 0.0010696000000000, 0.0000777900000000 ] - [ -0.0001028700000000, 0.0001403700000000, -0.0000226300000000 ] - [ -0.0019721900000000, -0.0062036400000000, 0.0018688900000000 ] - [ 0.0000685100000000, -0.0001220200000000, -0.0000879200000000 ] - [ 0.0010971100000000, 0.0006715500000000, 0.0000254600000000 ] - [ 0.0000132800000000, -0.0000685700000000, -0.0000879300000000 ] - [ 0.0000959800000000, 0.0021602800000000, 0.0004882100000000 ] - [ -0.0000423700000000, 0.0001056100000000, -0.0000685200000000 ] - [ -0.0104896500000000, 0.0058703800000000, 0.0036307900000000 ] - [ 0.0001098000000000, -0.0000971400000000, -0.0000651500000000 ] - [ -0.0006242900000000, -0.0028025000000000, -0.0004742100000000 ] - [ 0.0001378200000000, -0.0001442100000000, 0.0000945000000000 ] - [ -0.0010034100000000, 0.0005639100000000, 0.0016478400000000 ] - [ 0.0001158900000000, -0.0000317000000000, 0.0000405200000000 ] - [ 0.0137656200000000, 0.0059953600000000, -0.0000444400000000 ] - [ -0.0007134200000000, -0.0002033900000000, -0.0000260000000000 ]- atom: 91 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003598600000000, 0.0009890400000000, 0.0002443100000000 ] - [ -0.0002273600000000, 0.0002429300000000, -0.0000668200000000 ] - [ 0.0014884100000000, 0.0021926000000000, -0.0010681100000000 ] - [ 0.0000575100000000, 0.0001269200000000, 0.0001371900000000 ] - [ 0.0007349600000000, 0.0003391800000000, 0.0009997500000000 ] - [ -0.0001365600000000, 0.0001401900000000, -0.0000576500000000 ] - [ 0.0000426300000000, -0.0003793500000000, 0.0000073000000000 ] - [ 0.0000614200000000, 0.0000536600000000, -0.0000829200000000 ] - [ -0.0006873500000000, 0.0014728400000000, -0.0009744400000000 ] - [ 0.0002322100000000, 0.0002066700000000, 0.0000725400000000 ] - [ -0.0007681200000000, -0.0003951200000000, 0.0000175200000000 ] - [ 0.0011922600000000, -0.0006478900000000, 0.0004462500000000 ] - [ -0.0001970100000000, 0.0004236300000000, -0.0000813700000000 ] - [ 0.0000201000000000, 0.0001921300000000, 0.0000607800000000 ] - [ 0.0187084400000000, -0.0225361100000000, -0.0169314300000000 ] - [ -0.0001100500000000, -0.0002578000000000, 0.0001792000000000 ] - [ 0.0017055000000000, 0.0060821100000000, -0.0023839200000000 ] - [ -0.0000592900000000, 0.0001276800000000, -0.0000245700000000 ] - [ -0.0003347100000000, -0.0006614700000000, -0.0007535900000000 ] - [ -0.0000250500000000, -0.0000483100000000, -0.0000549300000000 ] - [ 0.0058190200000000, 0.0003028800000000, -0.0001684400000000 ] - [ -0.0023921800000000, -0.0001372500000000, 0.0005584100000000 ] - [ -0.0002271500000000, -0.0010975700000000, 0.0002943900000000 ] - [ 0.0002606700000000, -0.0008749700000000, 0.0002562800000000 ] - [ -0.0014467900000000, 0.0000128600000000, 0.0011877500000000 ] - [ 0.0004331700000000, -0.0000722300000000, -0.0002763700000000 ] - [ -0.0029819200000000, -0.0003221900000000, -0.0016298400000000 ] - [ 0.0007372100000000, -0.0001748900000000, -0.0004937000000000 ] - [ 0.0004175300000000, 0.0058076000000000, 0.0009911900000000 ] - [ 0.0001244700000000, 0.0008868000000000, 0.0002041500000000 ] - [ 0.0029840500000000, -0.0002110800000000, -0.0019832400000000 ] - [ -0.0007372700000000, 0.0003276900000000, 0.0004137500000000 ] - [ 0.0011744300000000, -0.0208880000000000, 0.0021852100000000 ] - [ -0.0000884400000000, -0.0002042300000000, 0.0000320300000000 ] - [ 0.0012407900000000, -0.0015299400000000, -0.0013683900000000 ] - [ 0.0000680700000000, -0.0000207600000000, -0.0002089200000000 ] - [ 0.0001176000000000, 0.0066620900000000, -0.0004539300000000 ] - [ 0.0000315100000000, 0.0002765400000000, 0.0000489500000000 ] - [ -0.0016458100000000, -0.0147113200000000, -0.0001797700000000 ] - [ -0.0002540700000000, -0.0003945400000000, 0.0001296900000000 ] - [ -0.0047534200000000, 0.0010556700000000, 0.0055680200000000 ] - [ 0.0001222100000000, -0.0000080500000000, -0.0000112900000000 ] - [ 0.0007478400000000, 0.0022070700000000, 0.0008489500000000 ] - [ 0.0000164000000000, 0.0001336200000000, -0.0001365500000000 ] - [ 0.0000770100000000, -0.0006816400000000, -0.0000886200000000 ] - [ 0.0000318200000000, -0.0003383200000000, 0.0000490600000000 ] - [ 0.0019671000000000, -0.0012463000000000, -0.0002466000000000 ] - [ 0.0001084900000000, 0.0004824200000000, -0.0001604300000000 ] - [ 0.0017428700000000, 0.0001594000000000, -0.0014110900000000 ] - [ -0.0003060300000000, -0.0000805600000000, 0.0000457100000000 ] - [ 0.0000980100000000, 0.0004120000000000, -0.0003076200000000 ] - [ -0.0001072500000000, 0.0002561300000000, 0.0000441200000000 ] - [ -0.0001526200000000, 0.0008745900000000, -0.0006634600000000 ] - [ 0.0002744200000000, 0.0005335800000000, -0.0002914700000000 ] - [ -0.0001585200000000, -0.0013965200000000, -0.0001447000000000 ] - [ 0.0000793500000000, -0.0011527300000000, -0.0002009600000000 ] - [ 0.0004491200000000, 0.0002913500000000, 0.0000025300000000 ] - [ -0.0004626800000000, 0.0002790900000000, 0.0002031100000000 ] - [ -0.0005460900000000, 0.0002564900000000, 0.0008512700000000 ] - [ 0.0008046000000000, 0.0002449800000000, 0.0000269400000000 ] - [ -0.0007812300000000, -0.0000621800000000, 0.0005023200000000 ] - [ 0.0006244500000000, -0.0000959100000000, -0.0002401100000000 ] - [ 0.0046096200000000, -0.0034285000000000, 0.0008994200000000 ] - [ -0.0015136600000000, -0.0002621700000000, -0.0000401200000000 ] - [ -0.0005087200000000, 0.0019046600000000, 0.0001046500000000 ] - [ 0.0002392700000000, 0.0001032000000000, 0.0000742900000000 ] - [ -0.0030108400000000, -0.0040989400000000, 0.0005417800000000 ] - [ 0.0001618700000000, -0.0002925100000000, -0.0000996900000000 ] - [ 0.0000487300000000, -0.0011956000000000, -0.0003457800000000 ] - [ 0.0000707100000000, -0.0002552000000000, -0.0000048100000000 ] - [ 0.0008116400000000, -0.0001529100000000, 0.0005939600000000 ] - [ 0.0000371400000000, -0.0001415100000000, 0.0002069800000000 ] - [ -0.0001128000000000, -0.0011198400000000, 0.0000875500000000 ] - [ 0.0000039500000000, -0.0002299100000000, -0.0001057000000000 ] - [ -0.0008838400000000, 0.0041443700000000, 0.0004101100000000 ] - [ 0.0000499700000000, 0.0002252800000000, -0.0000646100000000 ] - [ -0.0016756900000000, -0.0042733600000000, 0.0033165200000000 ] - [ 0.0002880600000000, -0.0001198300000000, 0.0000434600000000 ] - [ 0.0019742600000000, -0.0040500200000000, 0.0103802900000000 ] - [ -0.0000602800000000, -0.0000098900000000, 0.0000163900000000 ] - [ 0.0000228800000000, -0.0032831800000000, 0.0001233500000000 ] - [ -0.0001233800000000, -0.0002004100000000, -0.0000926800000000 ] - [ -0.0000117100000000, -0.0047303100000000, -0.0045614300000000 ] - [ -0.0000909300000000, -0.0000629700000000, -0.0000096800000000 ] - [ 0.0004870600000000, 0.0023965400000000, -0.0033230400000000 ] - [ 0.0000583800000000, 0.0000921300000000, 0.0000484300000000 ] - [ 0.0023992900000000, -0.0038814900000000, -0.0106940300000000 ] - [ -0.0000359800000000, -0.0000784200000000, 0.0000949500000000 ] - [ -0.0005785000000000, -0.0018332000000000, -0.0000928100000000 ] - [ -0.0000928300000000, -0.0000852600000000, 0.0000290700000000 ] - [ -0.0284925500000000, 0.0689569900000000, 0.0268756200000000 ] - [ 0.0001349900000000, 0.0001829000000000, 0.0000791900000000 ] - [ -0.0003838300000000, -0.0009253400000000, -0.0002087000000000 ] - [ -0.0000144800000000, 0.0000054100000000, -0.0001146100000000 ] - [ 0.0021188400000000, 0.0062495800000000, -0.0018341000000000 ] - [ 0.0001521900000000, 0.0000996600000000, 0.0000192500000000 ] - [ -0.0009855200000000, -0.0009580200000000, -0.0001500900000000 ] - [ 0.0000838100000000, -0.0002135900000000, -0.0000378400000000 ] - [ -0.0001672400000000, -0.0021352800000000, -0.0005172700000000 ] - [ -0.0000370700000000, -0.0000851200000000, 0.0000419000000000 ] - [ 0.0108499700000000, -0.0059995200000000, -0.0037030500000000 ] - [ 0.0000747800000000, 0.0000615800000000, 0.0000166800000000 ] - [ 0.0007316100000000, 0.0027325000000000, 0.0003524500000000 ] - [ -0.0000051300000000, 0.0000653600000000, -0.0001744100000000 ] - [ 0.0009733300000000, -0.0007313400000000, -0.0014758300000000 ] - [ -0.0001610400000000, -0.0001451100000000, 0.0001384300000000 ] - [ -0.0136397600000000, -0.0059123200000000, -0.0001400300000000 ] - [ 0.0006348800000000, 0.0002457200000000, -0.0001678400000000 ]- atom: 91 displacement: [ -0.0000660933295488, 0.0000000000000000, 0.0099997815812041 ] forces: - [ -0.0012165900000000, -0.0006437600000000, -0.0010139500000000 ] - [ -0.0001536900000000, 0.0001048800000000, 0.0000039200000000 ] - [ 0.0006506200000000, 0.0025443800000000, 0.0064291100000000 ] - [ -0.0000276600000000, 0.0001002300000000, 0.0001971500000000 ] - [ -0.0005573600000000, -0.0014864100000000, -0.0014800200000000 ] - [ -0.0001767800000000, 0.0001398000000000, -0.0000626000000000 ] - [ 0.0015312900000000, 0.0009693600000000, -0.0006302600000000 ] - [ -0.0003443000000000, 0.0000297800000000, -0.0002696900000000 ] - [ 0.0000672500000000, 0.0006132300000000, -0.0001766600000000 ] - [ -0.0000349500000000, 0.0002084600000000, 0.0002542100000000 ] - [ -0.0000233100000000, 0.0005119700000000, 0.0012491400000000 ] - [ -0.0019339100000000, -0.0016980400000000, 0.0025352100000000 ] - [ -0.0003364500000000, 0.0003662300000000, -0.0010249600000000 ] - [ 0.0002199200000000, -0.0004831700000000, -0.0006070000000000 ] - [ -0.0186199400000000, 0.0149535200000000, 0.0230091600000000 ] - [ -0.0006388300000000, -0.0001135000000000, 0.0001110400000000 ] - [ 0.0015529000000000, 0.0001652400000000, 0.0032354300000000 ] - [ -0.0003963400000000, 0.0000767600000000, 0.0000864000000000 ] - [ 0.0006932700000000, 0.0007901000000000, -0.0083026100000000 ] - [ -0.0001910600000000, 0.0000215300000000, -0.0001949600000000 ] - [ -0.0018436400000000, -0.0020095100000000, 0.0016791700000000 ] - [ -0.0002618200000000, 0.0001649100000000, 0.0026427400000000 ] - [ -0.0059106800000000, 0.0007478700000000, -0.0025988700000000 ] - [ 0.0029898200000000, -0.0011555100000000, -0.0004685300000000 ] - [ 0.0019618800000000, 0.0014774500000000, -0.0029705300000000 ] - [ -0.0005818300000000, -0.0001000700000000, -0.0011977000000000 ] - [ -0.0050292000000000, 0.0084353900000000, 0.0020732400000000 ] - [ -0.0001117400000000, 0.0000203900000000, 0.0005758200000000 ] - [ 0.0000809200000000, 0.0008286100000000, 0.0033014600000000 ] - [ -0.0005579600000000, -0.0004419000000000, 0.0002961700000000 ] - [ 0.0033427200000000, 0.0041826500000000, -0.0021663100000000 ] - [ -0.0008027400000000, 0.0014604400000000, -0.0007452500000000 ] - [ 0.0050914300000000, 0.0064649500000000, 0.0137902000000000 ] - [ -0.0004848100000000, 0.0002332700000000, 0.0000633700000000 ] - [ 0.0013958300000000, 0.0107369700000000, -0.0120445200000000 ] - [ -0.0004627700000000, -0.0000610200000000, -0.0002392900000000 ] - [ -0.0003418600000000, 0.0012088800000000, -0.0014657300000000 ] - [ -0.0004178600000000, 0.0002188900000000, -0.0003620400000000 ] - [ -0.0137969600000000, 0.0015548100000000, 0.0198234400000000 ] - [ -0.0009051900000000, -0.0002989200000000, 0.0004676400000000 ] - [ 0.0098211700000000, -0.0061175100000000, 0.0042510300000000 ] - [ -0.0008633200000000, 0.0000331500000000, 0.0001680100000000 ] - [ 0.0014378500000000, 0.0003682300000000, -0.0025903300000000 ] - [ -0.0006246700000000, -0.0001508500000000, -0.0004139900000000 ] - [ -0.0011990700000000, -0.0002529500000000, 0.0006090600000000 ] - [ 0.0005142300000000, -0.0002755600000000, 0.0001898200000000 ] - [ 0.0033287900000000, 0.0008576800000000, 0.0020660200000000 ] - [ 0.0005218500000000, 0.0003192500000000, -0.0009531500000000 ] - [ -0.0029817800000000, 0.0001878000000000, 0.0009182400000000 ] - [ 0.0008184600000000, 0.0003001000000000, 0.0003871800000000 ] - [ -0.0002944800000000, -0.0012003500000000, 0.0028827500000000 ] - [ 0.0000906900000000, 0.0000264600000000, 0.0012466800000000 ] - [ 0.0004162000000000, 0.0013496600000000, 0.0002342900000000 ] - [ -0.0000286100000000, 0.0008984600000000, -0.0004237000000000 ] - [ 0.0003884700000000, 0.0007580900000000, -0.0001042600000000 ] - [ 0.0001345800000000, -0.0003273900000000, -0.0004104900000000 ] - [ 0.0005247500000000, -0.0011146200000000, 0.0009804800000000 ] - [ -0.0008402100000000, -0.0003272800000000, 0.0003222100000000 ] - [ 0.0000266100000000, -0.0001978700000000, -0.0013558300000000 ] - [ 0.0025852400000000, -0.0006751800000000, -0.0020888100000000 ] - [ 0.0001735000000000, -0.0000262200000000, 0.0022034200000000 ] - [ -0.0007864200000000, -0.0001168800000000, 0.0009757200000000 ] - [ -0.0012924200000000, 0.0007462400000000, -0.0030829700000000 ] - [ 0.0007521000000000, 0.0004030800000000, -0.0004516500000000 ] - [ -0.0066269400000000, -0.0022368600000000, 0.0037047800000000 ] - [ 0.0018783900000000, -0.0012231000000000, 0.0000228500000000 ] - [ -0.0008106400000000, -0.0012471000000000, -0.0019239000000000 ] - [ 0.0000730900000000, 0.0000824400000000, -0.0001617100000000 ] - [ 0.0006222900000000, -0.0019900600000000, -0.0025130000000000 ] - [ 0.0000889100000000, 0.0000985800000000, -0.0003798700000000 ] - [ 0.0010950600000000, -0.0012780200000000, 0.0019658600000000 ] - [ 0.0002872300000000, -0.0000516100000000, -0.0000377700000000 ] - [ -0.0006194400000000, -0.0010308100000000, -0.0003630600000000 ] - [ 0.0002046600000000, -0.0001106200000000, 0.0001510500000000 ] - [ 0.0145421300000000, -0.0051325700000000, 0.0052728800000000 ] - [ 0.0001746700000000, -0.0002958600000000, -0.0002006200000000 ] - [ -0.0020452400000000, -0.0059075300000000, 0.0039928000000000 ] - [ 0.0004614100000000, -0.0002223600000000, 0.0001753500000000 ] - [ 0.0015765100000000, -0.0096379500000000, 0.0070156700000000 ] - [ 0.0002678500000000, -0.0001511300000000, -0.0001111700000000 ] - [ -0.0005525700000000, -0.0000252700000000, -0.0013563600000000 ] - [ 0.0002691600000000, -0.0000310400000000, 0.0000878500000000 ] - [ -0.0004181700000000, 0.0043822700000000, 0.0100655000000000 ] - [ 0.0001059900000000, 0.0000002000000000, 0.0001498800000000 ] - [ -0.0046804900000000, -0.0090252900000000, 0.0212469000000000 ] - [ 0.0001456400000000, -0.0000069200000000, 0.0001134700000000 ] - [ -0.0064087100000000, 0.0144857000000000, 0.0058591700000000 ] - [ 0.0002719300000000, -0.0002660200000000, 0.0000679800000000 ] - [ -0.0004063500000000, -0.0014300500000000, 0.0033259000000000 ] - [ 0.0001279200000000, 0.0000075300000000, 0.0001845300000000 ] - [ 0.0290262000000000, -0.0275231600000000, -0.1167769700000000 ] - [ 0.0004971400000000, 0.0000649900000000, -0.0000631300000000 ] - [ 0.0001986600000000, -0.0000669400000000, 0.0012684800000000 ] - [ 0.0002822600000000, 0.0000262900000000, 0.0000303100000000 ] - [ -0.0217453500000000, 0.0044049900000000, 0.0087365200000000 ] - [ 0.0004664100000000, 0.0000005500000000, -0.0000821400000000 ] - [ -0.0017848000000000, -0.0013960600000000, 0.0011745500000000 ] - [ 0.0004162700000000, -0.0000681200000000, 0.0000473500000000 ] - [ -0.0010189300000000, 0.0018016900000000, 0.0003996000000000 ] - [ 0.0001412700000000, 0.0000066700000000, 0.0000763300000000 ] - [ 0.0016808300000000, -0.0041422100000000, -0.0068529700000000 ] - [ 0.0002403300000000, -0.0000092100000000, -0.0001576300000000 ] - [ 0.0149911700000000, -0.0006678000000000, 0.0083560000000000 ] - [ -0.0002734200000000, -0.0000409200000000, -0.0004136500000000 ] - [ -0.0018951100000000, 0.0003121500000000, 0.0021451500000000 ] - [ 0.0001517900000000, -0.0001313700000000, 0.0002673300000000 ] - [ 0.0024459500000000, 0.0031337500000000, -0.0035325100000000 ] - [ 0.0005138600000000, 0.0002334900000000, -0.0003398200000000 ]- atom: 91 displacement: [ 0.0000660933295488, 0.0000000000000000, -0.0099997815812041 ] forces: - [ 0.0009569500000000, 0.0009740600000000, 0.0010123800000000 ] - [ -0.0001184000000000, 0.0002149900000000, -0.0000140500000000 ] - [ -0.0004853700000000, -0.0023717700000000, -0.0062226900000000 ] - [ 0.0002275400000000, 0.0001605500000000, 0.0000266500000000 ] - [ 0.0003467900000000, 0.0017484600000000, 0.0012767200000000 ] - [ -0.0000132400000000, 0.0001170900000000, -0.0001655700000000 ] - [ -0.0012723100000000, -0.0006558300000000, 0.0006353900000000 ] - [ 0.0006284200000000, 0.0002892300000000, 0.0002813400000000 ] - [ 0.0001090000000000, -0.0006032300000000, 0.0002043000000000 ] - [ 0.0002236200000000, -0.0001853500000000, -0.0002563000000000 ] - [ -0.0001417800000000, -0.0005873400000000, -0.0011866300000000 ] - [ 0.0017548300000000, 0.0016629200000000, -0.0024707600000000 ] - [ 0.0005296500000000, -0.0004220000000000, 0.0009339700000000 ] - [ -0.0000402700000000, 0.0004396000000000, 0.0005164400000000 ] - [ 0.0174494500000000, -0.0141339900000000, -0.0224632400000000 ] - [ 0.0004746300000000, 0.0001348500000000, -0.0001059500000000 ] - [ -0.0016105900000000, -0.0000861800000000, -0.0031952200000000 ] - [ 0.0003799100000000, -0.0000445900000000, 0.0000107600000000 ] - [ -0.0007222800000000, -0.0007181800000000, 0.0082262700000000 ] - [ 0.0002280600000000, 0.0000117100000000, 0.0000977000000000 ] - [ 0.0021837100000000, 0.0021870000000000, -0.0017182500000000 ] - [ 0.0005297600000000, -0.0000928200000000, -0.0026906500000000 ] - [ 0.0059276000000000, -0.0009579400000000, 0.0026030900000000 ] - [ -0.0029440100000000, 0.0009655800000000, 0.0003715000000000 ] - [ -0.0025056000000000, -0.0016389800000000, 0.0029092600000000 ] - [ 0.0000965800000000, -0.0000323400000000, 0.0011133600000000 ] - [ 0.0055804500000000, -0.0086741100000000, -0.0020458500000000 ] - [ 0.0006502100000000, -0.0001660800000000, -0.0005196900000000 ] - [ -0.0001117900000000, -0.0010267400000000, -0.0032267400000000 ] - [ 0.0005546600000000, 0.0002654700000000, -0.0001893400000000 ] - [ -0.0036094300000000, -0.0040943200000000, 0.0022228900000000 ] - [ 0.0005451600000000, -0.0013921400000000, 0.0007893900000000 ] - [ -0.0055460100000000, -0.0068003700000000, -0.0165632000000000 ] - [ 0.0005513200000000, -0.0003369700000000, 0.0001504600000000 ] - [ -0.0013146800000000, -0.0109001800000000, 0.0118249100000000 ] - [ 0.0005842600000000, 0.0000543800000000, -0.0000212900000000 ] - [ 0.0006038500000000, -0.0011689600000000, 0.0013397200000000 ] - [ 0.0007174800000000, -0.0001645900000000, 0.0002059100000000 ] - [ 0.0133524000000000, -0.0014864600000000, -0.0196695300000000 ] - [ 0.0006530100000000, 0.0003590800000000, -0.0002908600000000 ] - [ -0.0100749700000000, 0.0061382500000000, -0.0041457400000000 ] - [ 0.0007873600000000, -0.0000397300000000, 0.0000880600000000 ] - [ -0.0015203800000000, -0.0004859800000000, 0.0023858900000000 ] - [ 0.0006105800000000, 0.0000649800000000, 0.0002069500000000 ] - [ 0.0013886400000000, 0.0000999700000000, -0.0005285700000000 ] - [ -0.0003686700000000, 0.0001136100000000, -0.0001029100000000 ] - [ -0.0034749100000000, -0.0008606200000000, -0.0021687900000000 ] - [ -0.0004150000000000, -0.0002762700000000, 0.0008721100000000 ] - [ 0.0028812300000000, -0.0004094300000000, -0.0009409100000000 ] - [ -0.0009731700000000, -0.0005273100000000, -0.0004183400000000 ] - [ 0.0001841800000000, 0.0011917100000000, -0.0027517500000000 ] - [ -0.0002177500000000, -0.0000502700000000, -0.0010895500000000 ] - [ -0.0003132900000000, -0.0010300100000000, -0.0002454400000000 ] - [ 0.0001279300000000, -0.0005757200000000, 0.0004401000000000 ] - [ -0.0002845500000000, -0.0007978800000000, -0.0000081000000000 ] - [ -0.0000100700000000, 0.0003140100000000, 0.0003049400000000 ] - [ -0.0004001900000000, 0.0012522800000000, -0.0008569700000000 ] - [ 0.0009620500000000, 0.0004538200000000, -0.0001811200000000 ] - [ -0.0000583100000000, 0.0002148700000000, 0.0012427000000000 ] - [ -0.0026312300000000, 0.0007038300000000, 0.0019680400000000 ] - [ -0.0001713100000000, 0.0000432600000000, -0.0020699300000000 ] - [ 0.0008150200000000, 0.0001371000000000, -0.0008424700000000 ] - [ 0.0012054100000000, -0.0006436200000000, 0.0029595500000000 ] - [ -0.0009137500000000, -0.0002912400000000, 0.0003129400000000 ] - [ 0.0064696000000000, 0.0022184600000000, -0.0036077100000000 ] - [ -0.0020105300000000, 0.0012160700000000, 0.0000648300000000 ] - [ 0.0007302700000000, 0.0016023700000000, 0.0019036100000000 ] - [ -0.0001871600000000, 0.0002430100000000, 0.0001395200000000 ] - [ -0.0005087300000000, 0.0019903700000000, 0.0023790900000000 ] - [ 0.0000287600000000, -0.0001229800000000, 0.0002220200000000 ] - [ -0.0009791000000000, 0.0010716800000000, -0.0019362400000000 ] - [ -0.0001585700000000, -0.0001705200000000, 0.0000762900000000 ] - [ 0.0005018400000000, 0.0010801600000000, 0.0004411400000000 ] - [ -0.0003303900000000, 0.0001555300000000, -0.0000741100000000 ] - [ -0.0149939600000000, 0.0050494400000000, -0.0053706400000000 ] - [ -0.0003635400000000, 0.0001420000000000, 0.0001232300000000 ] - [ 0.0021115800000000, 0.0059206900000000, -0.0038112900000000 ] - [ -0.0004070200000000, 0.0002648700000000, 0.0000152200000000 ] - [ -0.0015467900000000, 0.0096105200000000, -0.0072226800000000 ] - [ -0.0002394400000000, -0.0000206800000000, -0.0000690100000000 ] - [ 0.0004317500000000, -0.0000530800000000, 0.0014261500000000 ] - [ -0.0004184700000000, -0.0000492000000000, -0.0000121500000000 ] - [ 0.0002332600000000, -0.0043683600000000, -0.0100564800000000 ] - [ -0.0002993500000000, -0.0000319500000000, -0.0001019200000000 ] - [ 0.0048487100000000, 0.0091948300000000, -0.0215885100000000 ] - [ -0.0000718300000000, 0.0000355800000000, -0.0000907700000000 ] - [ 0.0064260600000000, -0.0151066900000000, -0.0057768400000000 ] - [ -0.0003861600000000, -0.0000143200000000, 0.0000580600000000 ] - [ 0.0002026800000000, 0.0014330500000000, -0.0032826500000000 ] - [ -0.0003587100000000, -0.0000339400000000, -0.0001233100000000 ] - [ -0.0271850500000000, 0.0272422500000000, 0.1200392500000000 ] - [ -0.0004057400000000, 0.0000821200000000, 0.0002006300000000 ] - [ -0.0002833600000000, 0.0002153700000000, -0.0014251400000000 ] - [ -0.0004072200000000, 0.0001189500000000, -0.0001705100000000 ] - [ 0.0223696800000000, -0.0044663600000000, -0.0089050300000000 ] - [ -0.0002542900000000, -0.0000233500000000, 0.0000125800000000 ] - [ 0.0019287400000000, 0.0011427700000000, -0.0013046900000000 ] - [ -0.0003287700000000, -0.0002152800000000, -0.0001747100000000 ] - [ 0.0009623400000000, -0.0017934000000000, -0.0004116100000000 ] - [ -0.0002236000000000, 0.0000129500000000, -0.0001043100000000 ] - [ -0.0015852400000000, 0.0042681800000000, 0.0069059600000000 ] - [ -0.0000591200000000, -0.0000258300000000, 0.0001092500000000 ] - [ -0.0146639500000000, 0.0005835000000000, -0.0084220800000000 ] - [ 0.0003970900000000, -0.0000387300000000, 0.0003301300000000 ] - [ 0.0018909800000000, -0.0004918800000000, -0.0019692200000000 ] - [ -0.0002014500000000, -0.0000481500000000, -0.0000881500000000 ] - [ -0.0026224900000000, -0.0032131100000000, 0.0033384500000000 ] - [ -0.0005916700000000, -0.0001900100000000, 0.0001471200000000 ]