# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9d80b9a7-e19c-492b-a6da-7827729b0b26/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 NaNd2OsO6 / P2_1/c (14) / materials id 22329](https://mdr.nims.go.jp/datasets/c6db5ca4-951a-4895-8428-accb2df3547e) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.447725450000000, 0.000000000000000, 0.003737930000000 ] # a - [ 0.000000000000000, 5.943904810000000, 0.000000000000000 ] # b - [ -5.300332920000000, 0.000000000000000, 7.873650320000000 ] # c points: - symbol: O # 1 coordinates: [ 0.273917010000000, 0.283015040000000, 0.433139690000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.726082990000000, 0.783015040000000, 0.066860310000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.726082990000000, 0.716984960000000, 0.566860310000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.273917010000000, 0.216984960000000, 0.933139690000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.387137830000000, 0.953757840000000, 0.266397840000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.612862170000000, 0.453757840000000, 0.233602160000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.612862170000000, 0.046242160000000, 0.733602160000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.387137830000000, 0.546242160000000, 0.766397840000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.149591230000000, 0.674634080000000, 0.947815130000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.850408770000000, 0.174634080000000, 0.552184870000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.850408770000000, 0.325365920000000, 0.052184870000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.149591230000000, 0.825365920000000, 0.447815130000000 ] mass: 15.999400 - symbol: Na # 13 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 - symbol: Nd # 15 coordinates: [ 0.222457860000000, 0.922293600000000, 0.746881300000000 ] mass: 144.242000 - symbol: Nd # 16 coordinates: [ 0.777542140000000, 0.422293600000000, 0.753118700000000 ] mass: 144.242000 - symbol: Nd # 17 coordinates: [ 0.222457860000000, 0.577706400000000, 0.246881300000000 ] mass: 144.242000 - symbol: Nd # 18 coordinates: [ 0.777542140000000, 0.077706400000000, 0.253118700000000 ] mass: 144.242000 - symbol: Os # 19 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 190.230000 - symbol: Os # 20 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 190.230000 reciprocal_lattice: # without 2pi - [ 0.183478100672209, 0.000000000000000, 0.123512599311368 ] # a* - [ 0.000000000000000, 0.168239571790854, 0.000000000000000 ] # b* - [ -0.000087104236151, 0.000000000000000, 0.126947257996804 ] # c*unit_cell: lattice: - [ 5.447725450000000, 0.000000000000000, 0.003737930000000 ] # a - [ 0.000000000000000, 5.943904810000000, 0.000000000000000 ] # b - [ -5.300332920000000, 0.000000000000000, 7.873650320000000 ] # c points: - symbol: O # 1 coordinates: [ 0.273917010000000, 0.283015040000000, 0.433139690000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.726082990000000, 0.783015040000000, 0.066860310000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.726082990000000, 0.716984960000000, 0.566860310000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.273917010000000, 0.216984960000000, 0.933139690000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.387137830000000, 0.953757840000000, 0.266397840000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.612862170000000, 0.453757840000000, 0.233602160000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.612862170000000, 0.046242160000000, 0.733602160000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.387137830000000, 0.546242160000000, 0.766397840000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.149591230000000, 0.674634080000000, 0.947815130000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.850408770000000, 0.174634080000000, 0.552184870000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.850408770000000, 0.325365920000000, 0.052184870000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.149591230000000, 0.825365920000000, 0.447815130000000 ] mass: 15.999400 reduced_to: 12 - symbol: Na # 13 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 14 - symbol: Nd # 15 coordinates: [ 0.222457860000000, 0.922293600000000, 0.746881300000000 ] mass: 144.242000 reduced_to: 15 - symbol: Nd # 16 coordinates: [ 0.777542140000000, 0.422293600000000, 0.753118700000000 ] mass: 144.242000 reduced_to: 16 - symbol: Nd # 17 coordinates: [ 0.222457860000000, 0.577706400000000, 0.246881300000000 ] mass: 144.242000 reduced_to: 17 - symbol: Nd # 18 coordinates: [ 0.777542140000000, 0.077706400000000, 0.253118700000000 ] mass: 144.242000 reduced_to: 18 - symbol: Os # 19 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 190.230000 reduced_to: 19 - symbol: Os # 20 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 190.230000 reduced_to: 20supercell: lattice: - [ 10.895450900000000, 0.000000000000000, 0.007475860000000 ] # a - [ 0.000000000000000, 11.887809620000001, 0.000000000000000 ] # b - [ -5.300332920000000, 0.000000000000000, 7.873650320000000 ] # c points: - symbol: O # 1 coordinates: [ 0.136958505000000, 0.141507520000000, 0.433139690000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.636958505000000, 0.141507520000000, 0.433139690000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.136958505000000, 0.641507520000000, 0.433139690000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.636958505000000, 0.641507520000000, 0.433139690000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.363041495000000, 0.391507520000000, 0.066860310000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.863041495000000, 0.391507520000000, 0.066860310000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.363041495000000, 0.891507520000000, 0.066860310000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 8 coordinates: [ 0.863041495000000, 0.891507520000000, 0.066860310000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 9 coordinates: [ 0.363041495000000, 0.358492480000000, 0.566860310000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.863041495000000, 0.358492480000000, 0.566860310000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.363041495000000, 0.858492480000000, 0.566860310000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 12 coordinates: [ 0.863041495000000, 0.858492480000000, 0.566860310000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 13 coordinates: [ 0.136958505000000, 0.108492480000000, 0.933139690000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.636958505000000, 0.108492480000000, 0.933139690000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.136958505000000, 0.608492480000000, 0.933139690000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.636958505000000, 0.608492480000000, 0.933139690000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.193568915000000, 0.476878920000000, 0.266397840000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.693568915000000, 0.476878920000000, 0.266397840000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.193568915000000, 0.976878920000000, 0.266397840000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.693568915000000, 0.976878920000000, 0.266397840000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.306431085000000, 0.226878920000000, 0.233602160000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.806431085000000, 0.226878920000000, 0.233602160000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.306431085000000, 0.726878920000000, 0.233602160000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.806431085000000, 0.726878920000000, 0.233602160000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.306431085000000, 0.023121080000000, 0.733602160000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.806431085000000, 0.023121080000000, 0.733602160000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.306431085000000, 0.523121080000000, 0.733602160000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.806431085000000, 0.523121080000000, 0.733602160000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.193568915000000, 0.273121080000000, 0.766397840000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.693568915000000, 0.273121080000000, 0.766397840000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.193568915000000, 0.773121080000000, 0.766397840000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 32 coordinates: [ 0.693568915000000, 0.773121080000000, 0.766397840000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 33 coordinates: [ 0.074795615000000, 0.337317040000000, 0.947815130000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.574795615000000, 0.337317040000000, 0.947815130000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.074795615000000, 0.837317040000000, 0.947815130000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.574795615000000, 0.837317040000000, 0.947815130000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.425204385000000, 0.087317040000000, 0.552184870000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.925204385000000, 0.087317040000000, 0.552184870000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.425204385000000, 0.587317040000000, 0.552184870000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.925204385000000, 0.587317040000000, 0.552184870000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.425204385000000, 0.162682960000000, 0.052184870000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.925204385000000, 0.162682960000000, 0.052184870000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.425204385000000, 0.662682960000000, 0.052184870000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.925204385000000, 0.662682960000000, 0.052184870000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.074795615000000, 0.412682960000000, 0.447815130000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.574795615000000, 0.412682960000000, 0.447815130000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.074795615000000, 0.912682960000000, 0.447815130000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.574795615000000, 0.912682960000000, 0.447815130000000 ] mass: 15.999400 reduced_to: 45 - symbol: Na # 49 coordinates: [ 0.000000000000000, 0.250000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 49 - symbol: Na # 50 coordinates: [ 0.500000000000000, 0.250000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 49 - symbol: Na # 51 coordinates: [ 0.000000000000000, 0.750000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 49 - symbol: Na # 52 coordinates: [ 0.500000000000000, 0.750000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 49 - symbol: Na # 53 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 53 - symbol: Na # 54 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 53 - symbol: Na # 55 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 53 - symbol: Na # 56 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 53 - symbol: Nd # 57 coordinates: [ 0.111228930000000, 0.461146800000000, 0.746881300000000 ] mass: 144.242000 reduced_to: 57 - symbol: Nd # 58 coordinates: [ 0.611228930000000, 0.461146800000000, 0.746881300000000 ] mass: 144.242000 reduced_to: 57 - symbol: Nd # 59 coordinates: [ 0.111228930000000, 0.961146800000000, 0.746881300000000 ] mass: 144.242000 reduced_to: 57 - symbol: Nd # 60 coordinates: [ 0.611228930000000, 0.961146800000000, 0.746881300000000 ] mass: 144.242000 reduced_to: 57 - symbol: Nd # 61 coordinates: [ 0.388771070000000, 0.211146800000000, 0.753118700000000 ] mass: 144.242000 reduced_to: 61 - symbol: Nd # 62 coordinates: [ 0.888771070000000, 0.211146800000000, 0.753118700000000 ] mass: 144.242000 reduced_to: 61 - symbol: Nd # 63 coordinates: [ 0.388771070000000, 0.711146800000000, 0.753118700000000 ] mass: 144.242000 reduced_to: 61 - symbol: Nd # 64 coordinates: [ 0.888771070000000, 0.711146800000000, 0.753118700000000 ] mass: 144.242000 reduced_to: 61 - symbol: Nd # 65 coordinates: [ 0.111228930000000, 0.288853200000000, 0.246881300000000 ] mass: 144.242000 reduced_to: 65 - symbol: Nd # 66 coordinates: [ 0.611228930000000, 0.288853200000000, 0.246881300000000 ] mass: 144.242000 reduced_to: 65 - symbol: Nd # 67 coordinates: [ 0.111228930000000, 0.788853200000000, 0.246881300000000 ] mass: 144.242000 reduced_to: 65 - symbol: Nd # 68 coordinates: [ 0.611228930000000, 0.788853200000000, 0.246881300000000 ] mass: 144.242000 reduced_to: 65 - symbol: Nd # 69 coordinates: [ 0.388771070000000, 0.038853200000000, 0.253118700000000 ] mass: 144.242000 reduced_to: 69 - symbol: Nd # 70 coordinates: [ 0.888771070000000, 0.038853200000000, 0.253118700000000 ] mass: 144.242000 reduced_to: 69 - symbol: Nd # 71 coordinates: [ 0.388771070000000, 0.538853200000000, 0.253118700000000 ] mass: 144.242000 reduced_to: 69 - symbol: Nd # 72 coordinates: [ 0.888771070000000, 0.538853200000000, 0.253118700000000 ] mass: 144.242000 reduced_to: 69 - symbol: Os # 73 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 190.230000 reduced_to: 73 - symbol: Os # 74 coordinates: [ 0.750000000000000, 0.250000000000000, 0.000000000000000 ] mass: 190.230000 reduced_to: 73 - symbol: Os # 75 coordinates: [ 0.250000000000000, 0.750000000000000, 0.000000000000000 ] mass: 190.230000 reduced_to: 73 - symbol: Os # 76 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 190.230000 reduced_to: 73 - symbol: Os # 77 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 190.230000 reduced_to: 77 - symbol: Os # 78 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 190.230000 reduced_to: 77 - symbol: Os # 79 coordinates: [ 0.250000000000000, 0.500000000000000, 0.500000000000000 ] mass: 190.230000 reduced_to: 77 - symbol: Os # 80 coordinates: [ 0.750000000000000, 0.500000000000000, 0.500000000000000 ] mass: 190.230000 reduced_to: 77displacements:- atom: 1 displacement: [ 0.0099999976460255, 0.0000000000000000, 0.0000068614491578 ] forces: - [ -0.0971960700000000, 0.0804834400000000, -0.0150617300000000 ] - [ -0.0193333000000000, 0.0385925100000000, -0.0073502400000000 ] - [ -0.0205679800000000, 0.0393820000000000, -0.0072821200000000 ] - [ -0.0200928100000000, 0.0384999600000000, -0.0076026700000000 ] - [ 0.0210518000000000, 0.0392342700000000, 0.0073029300000000 ] - [ 0.0190279700000000, 0.0375497300000000, 0.0069336700000000 ] - [ 0.0209970500000000, 0.0385353900000000, 0.0068356000000000 ] - [ 0.0191657700000000, 0.0430650600000000, 0.0103832800000000 ] - [ 0.0209391100000000, -0.0352727700000000, 0.0082718900000000 ] - [ 0.0217477300000000, -0.0397170200000000, 0.0070967600000000 ] - [ 0.0194773100000000, -0.0421834800000000, 0.0057144600000000 ] - [ 0.0204847400000000, -0.0387122900000000, 0.0069320700000000 ] - [ -0.0206031900000000, -0.0389108700000000, -0.0080421400000000 ] - [ -0.0192262800000000, -0.0388262800000000, -0.0044827300000000 ] - [ -0.0200804700000000, -0.0383783800000000, -0.0073228700000000 ] - [ -0.0203128600000000, -0.0390404300000000, -0.0069087100000000 ] - [ 0.0040603900000000, 0.0119489800000000, 0.0428278200000000 ] - [ 0.0038077300000000, 0.0104428300000000, 0.0420618300000000 ] - [ 0.0055849500000000, 0.0031597200000000, 0.0389663900000000 ] - [ 0.0101923600000000, 0.0119532100000000, 0.0387844200000000 ] - [ -0.0024120300000000, 0.0122052200000000, -0.0445540600000000 ] - [ 0.0021962300000000, 0.0061983900000000, -0.0347097400000000 ] - [ -0.0036746700000000, 0.0107419900000000, -0.0422058600000000 ] - [ -0.0036456900000000, 0.0107266500000000, -0.0418223000000000 ] - [ -0.0070241900000000, -0.0091088200000000, -0.0415569300000000 ] - [ -0.0029902400000000, -0.0100611600000000, -0.0421202100000000 ] - [ -0.0038135400000000, -0.0105208500000000, -0.0422762300000000 ] - [ -0.0032012400000000, -0.0106196500000000, -0.0423459100000000 ] - [ 0.0046428400000000, -0.0115368100000000, 0.0374826600000000 ] - [ 0.0045736800000000, -0.0107198000000000, 0.0417436700000000 ] - [ 0.0033630100000000, -0.0096770900000000, 0.0413601500000000 ] - [ 0.0041834500000000, -0.0109672500000000, 0.0421611900000000 ] - [ -0.0040691700000000, -0.0022228100000000, 0.0110584700000000 ] - [ -0.0051884900000000, -0.0020180400000000, 0.0112420300000000 ] - [ -0.0039990000000000, -0.0019470100000000, 0.0109515000000000 ] - [ -0.0049803400000000, -0.0013084200000000, 0.0111099700000000 ] - [ 0.0144837600000000, -0.0104948200000000, -0.0040038000000000 ] - [ 0.0155119000000000, 0.0027293100000000, -0.0136808400000000 ] - [ 0.0043175400000000, -0.0019062300000000, -0.0113220300000000 ] - [ 0.0047228100000000, -0.0016081800000000, -0.0110937200000000 ] - [ 0.0044947600000000, 0.0020503000000000, -0.0113626500000000 ] - [ 0.0023892100000000, -0.0006959300000000, -0.0073706400000000 ] - [ 0.0039695700000000, 0.0020249200000000, -0.0117297100000000 ] - [ 0.0040814300000000, 0.0015422300000000, -0.0115043800000000 ] - [ -0.0056887800000000, -0.0006997100000000, 0.0109544500000000 ] - [ -0.0038737000000000, 0.0017095900000000, 0.0112840800000000 ] - [ -0.0100141100000000, 0.0048896300000000, 0.0097668400000000 ] - [ -0.0033371100000000, 0.0012134400000000, 0.0109504900000000 ] - [ 0.0067658000000000, -0.0029443900000000, -0.0009780400000000 ] - [ -0.0010915600000000, -0.0005969000000000, -0.0000910100000000 ] - [ -0.0002317100000000, -0.0002584300000000, 0.0000400400000000 ] - [ -0.0001578200000000, 0.0001137000000000, 0.0001449500000000 ] - [ 0.0004202800000000, -0.0001314300000000, 0.0000430400000000 ] - [ -0.0002144500000000, -0.0000715900000000, -0.0000298200000000 ] - [ -0.0000254900000000, -0.0001040000000000, 0.0001618200000000 ] - [ 0.0000365800000000, -0.0000243400000000, -0.0000698800000000 ] - [ -0.0270795100000000, 0.0266469200000000, 0.0193778500000000 ] - [ -0.0270875400000000, 0.0254925600000000, 0.0186558600000000 ] - [ -0.0289470700000000, 0.0231725300000000, 0.0218942800000000 ] - [ -0.0269376000000000, 0.0269981500000000, 0.0172636800000000 ] - [ 0.0318310700000000, 0.0270391800000000, -0.0185593200000000 ] - [ 0.0251194800000000, 0.0262037600000000, -0.0185210800000000 ] - [ 0.0271795400000000, 0.0248795800000000, -0.0183994200000000 ] - [ 0.0264204400000000, 0.0258413900000000, -0.0189367500000000 ] - [ -0.0182675100000000, -0.0157196200000000, 0.0116787000000000 ] - [ -0.0282875100000000, -0.0251563500000000, 0.0186108200000000 ] - [ -0.0259240400000000, -0.0257851800000000, 0.0175764000000000 ] - [ -0.0272634700000000, -0.0261879600000000, 0.0192598900000000 ] - [ 0.0247286300000000, -0.0254233600000000, -0.0172220500000000 ] - [ 0.0254180600000000, -0.0322158100000000, -0.0230947300000000 ] - [ 0.0259917700000000, -0.0260729900000000, -0.0185537800000000 ] - [ 0.0264910700000000, -0.0256114200000000, -0.0192163400000000 ] - [ -0.0014192700000000, -0.0022286900000000, 0.0040580200000000 ] - [ 0.0004416700000000, 0.0039221600000000, -0.0059023200000000 ] - [ -0.0003992400000000, -0.0010690400000000, 0.0011141000000000 ] - [ -0.0007983500000000, -0.0011415000000000, -0.0014835200000000 ] - [ 0.0428141900000000, -0.0291937300000000, 0.0143829100000000 ] - [ -0.0051973500000000, -0.0021543900000000, 0.0011488700000000 ] - [ 0.0026476400000000, -0.0001975500000000, 0.0010816500000000 ] - [ -0.0011185300000000, 0.0002540600000000, 0.0001008200000000 ]- atom: 1 displacement: [ -0.0099999976460255, 0.0000000000000000, -0.0000068614491578 ] forces: - [ 0.0569773300000000, -0.0025624300000000, 0.0000974200000000 ] - [ -0.0214327600000000, 0.0386393300000000, -0.0072178300000000 ] - [ -0.0201779600000000, 0.0379005000000000, -0.0073066900000000 ] - [ -0.0206384300000000, 0.0387223500000000, -0.0069661400000000 ] - [ 0.0197166900000000, 0.0380910700000000, 0.0072732300000000 ] - [ 0.0216761500000000, 0.0396465200000000, 0.0076475300000000 ] - [ 0.0196802200000000, 0.0385328500000000, 0.0076574900000000 ] - [ 0.0217511600000000, 0.0345330000000000, 0.0043019100000000 ] - [ 0.0198092200000000, -0.0419943000000000, 0.0062830300000000 ] - [ 0.0189955200000000, -0.0375136300000000, 0.0074641100000000 ] - [ 0.0212485400000000, -0.0349688300000000, 0.0087924200000000 ] - [ 0.0202533100000000, -0.0385232200000000, 0.0076393300000000 ] - [ -0.0201883400000000, -0.0384025500000000, -0.0065242800000000 ] - [ -0.0214974400000000, -0.0383685500000000, -0.0101210000000000 ] - [ -0.0205835400000000, -0.0386803100000000, -0.0071800400000000 ] - [ -0.0205782600000000, -0.0386142500000000, -0.0078157600000000 ] - [ 0.0035396100000000, 0.0092082100000000, 0.0413840200000000 ] - [ 0.0037703800000000, 0.0107335700000000, 0.0422392000000000 ] - [ 0.0019899100000000, 0.0179262000000000, 0.0452853300000000 ] - [ -0.0026880300000000, 0.0092308500000000, 0.0455531400000000 ] - [ -0.0052332600000000, 0.0090049200000000, -0.0396786900000000 ] - [ -0.0097718400000000, 0.0150574100000000, -0.0496938300000000 ] - [ -0.0038997400000000, 0.0104461200000000, -0.0421033600000000 ] - [ -0.0040346400000000, 0.0104094800000000, -0.0421503100000000 ] - [ -0.0005355500000000, -0.0120417000000000, -0.0427878900000000 ] - [ -0.0045645400000000, -0.0111246000000000, -0.0421964300000000 ] - [ -0.0037868800000000, -0.0106679200000000, -0.0419413400000000 ] - [ -0.0043644800000000, -0.0105707400000000, -0.0419564600000000 ] - [ 0.0029919400000000, -0.0096106900000000, 0.0466703000000000 ] - [ 0.0029837700000000, -0.0104831100000000, 0.0425407700000000 ] - [ 0.0042421700000000, -0.0115242200000000, 0.0429547100000000 ] - [ 0.0035156100000000, -0.0101725500000000, 0.0418211100000000 ] - [ -0.0043549500000000, -0.0012940400000000, 0.0116711200000000 ] - [ -0.0031045200000000, -0.0015767200000000, 0.0114588500000000 ] - [ -0.0042146000000000, -0.0016916000000000, 0.0118238700000000 ] - [ -0.0036886500000000, -0.0020331900000000, 0.0114757900000000 ] - [ -0.0058713400000000, 0.0066876600000000, -0.0185185700000000 ] - [ -0.0073252100000000, -0.0063568400000000, -0.0089848100000000 ] - [ 0.0040165000000000, -0.0016504100000000, -0.0113834600000000 ] - [ 0.0035773400000000, -0.0019714300000000, -0.0116219200000000 ] - [ 0.0039174100000000, 0.0014709800000000, -0.0113332100000000 ] - [ 0.0058830600000000, 0.0043002600000000, -0.0152847800000000 ] - [ 0.0042471100000000, 0.0016207100000000, -0.0110524400000000 ] - [ 0.0045601100000000, 0.0017946900000000, -0.0110879900000000 ] - [ -0.0026112200000000, 0.0042441100000000, 0.0117589700000000 ] - [ -0.0044356800000000, 0.0018677300000000, 0.0114366800000000 ] - [ 0.0018534800000000, -0.0013095400000000, 0.0130045400000000 ] - [ -0.0049609500000000, 0.0023662200000000, 0.0117648000000000 ] - [ -0.0072477000000000, 0.0033467600000000, 0.0011577800000000 ] - [ 0.0010803600000000, 0.0006011300000000, 0.0000592100000000 ] - [ 0.0002197400000000, 0.0002378300000000, -0.0001310500000000 ] - [ 0.0001636300000000, -0.0001239500000000, -0.0000574400000000 ] - [ -0.0004774300000000, 0.0000899600000000, -0.0000367000000000 ] - [ 0.0002742600000000, 0.0000289600000000, 0.0000348800000000 ] - [ -0.0000247300000000, 0.0001493400000000, -0.0001360400000000 ] - [ 0.0000155200000000, 0.0000606300000000, 0.0000329900000000 ] - [ -0.0262242700000000, 0.0248864400000000, 0.0184192100000000 ] - [ -0.0263834700000000, 0.0263983300000000, 0.0191754100000000 ] - [ -0.0244569900000000, 0.0286296300000000, 0.0158219700000000 ] - [ -0.0263859800000000, 0.0243841500000000, 0.0207976000000000 ] - [ 0.0214981200000000, 0.0247146100000000, -0.0190614900000000 ] - [ 0.0283626000000000, 0.0254974300000000, -0.0192142400000000 ] - [ 0.0265265900000000, 0.0267976800000000, -0.0191900300000000 ] - [ 0.0266283500000000, 0.0259130400000000, -0.0187527100000000 ] - [ -0.0350227700000000, -0.0358534200000000, 0.0260596200000000 ] - [ -0.0251896600000000, -0.0265903600000000, 0.0191033300000000 ] - [ -0.0277889400000000, -0.0260275300000000, 0.0199615200000000 ] - [ -0.0257798200000000, -0.0255194400000000, 0.0184377400000000 ] - [ 0.0286382500000000, -0.0261020300000000, -0.0205762200000000 ] - [ 0.0276991100000000, -0.0198073500000000, -0.0149722900000000 ] - [ 0.0273205900000000, -0.0257194100000000, -0.0191606100000000 ] - [ 0.0269528900000000, -0.0257525300000000, -0.0187883500000000 ] - [ 0.0014468600000000, 0.0021537100000000, -0.0040162400000000 ] - [ -0.0004496400000000, -0.0039439400000000, 0.0059560300000000 ] - [ 0.0003641000000000, 0.0010799800000000, -0.0011163500000000 ] - [ 0.0008022700000000, 0.0011713300000000, 0.0014976500000000 ] - [ -0.0428898300000000, 0.0283702400000000, -0.0140960700000000 ] - [ 0.0052516300000000, 0.0021648300000000, -0.0011732000000000 ] - [ -0.0026940200000000, 0.0002623000000000, -0.0010373300000000 ] - [ 0.0011166300000000, -0.0002257200000000, -0.0000910300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0198132400000000, -0.0950567400000000, 0.0244652400000000 ] - [ -0.0203434400000000, 0.0369527100000000, -0.0072222300000000 ] - [ -0.0196254100000000, 0.0374628900000000, -0.0075828100000000 ] - [ -0.0205173100000000, 0.0386985300000000, -0.0070945900000000 ] - [ 0.0203307400000000, 0.0384845900000000, 0.0074546000000000 ] - [ 0.0161058900000000, 0.0390177900000000, 0.0045552800000000 ] - [ 0.0198057900000000, 0.0385361300000000, 0.0070533300000000 ] - [ 0.0213162600000000, 0.0390104100000000, 0.0076924400000000 ] - [ 0.0237350500000000, -0.0279492800000000, 0.0098280100000000 ] - [ 0.0192918400000000, -0.0377314300000000, 0.0069923000000000 ] - [ 0.0168928000000000, -0.0405522800000000, 0.0042964500000000 ] - [ 0.0202247200000000, -0.0382862700000000, 0.0074948200000000 ] - [ -0.0201014800000000, -0.0392480200000000, -0.0071800800000000 ] - [ -0.0200730300000000, -0.0397589000000000, -0.0076181000000000 ] - [ -0.0205067600000000, -0.0378945900000000, -0.0069972800000000 ] - [ -0.0201639800000000, -0.0380287600000000, -0.0070352000000000 ] - [ 0.0055949900000000, 0.0181190200000000, 0.0460738900000000 ] - [ 0.0033426600000000, 0.0106276900000000, 0.0427090600000000 ] - [ -0.0026339800000000, 0.0157407300000000, 0.0482510000000000 ] - [ 0.0046802100000000, 0.0104673700000000, 0.0416059100000000 ] - [ 0.0040736200000000, 0.0087196100000000, -0.0471506900000000 ] - [ -0.0081489300000000, 0.0111477200000000, -0.0495351100000000 ] - [ -0.0043902000000000, 0.0108379100000000, -0.0426397300000000 ] - [ -0.0038485000000000, 0.0107628900000000, -0.0423086700000000 ] - [ -0.0037679700000000, -0.0113104800000000, -0.0518864300000000 ] - [ -0.0030453600000000, -0.0109921400000000, -0.0424535300000000 ] - [ -0.0031874400000000, -0.0101067400000000, -0.0412905600000000 ] - [ -0.0033530700000000, -0.0104376100000000, -0.0425171600000000 ] - [ 0.0007520500000000, -0.0092219500000000, 0.0502214100000000 ] - [ 0.0033747700000000, -0.0106548600000000, 0.0434783500000000 ] - [ 0.0033161600000000, -0.0099556300000000, 0.0420608000000000 ] - [ 0.0042940900000000, -0.0108610300000000, 0.0418691000000000 ] - [ 0.0003094400000000, -0.0025417700000000, 0.0069037600000000 ] - [ -0.0016544100000000, -0.0008277000000000, 0.0130966200000000 ] - [ -0.0041971600000000, -0.0014252300000000, 0.0113876700000000 ] - [ -0.0039439600000000, -0.0020717500000000, 0.0125048700000000 ] - [ 0.0037200900000000, -0.0071665800000000, -0.0110534000000000 ] - [ 0.0024099800000000, -0.0048217200000000, -0.0110588800000000 ] - [ 0.0022169800000000, -0.0024879600000000, -0.0117068400000000 ] - [ 0.0037432900000000, -0.0016825300000000, -0.0113980000000000 ] - [ 0.0033827000000000, 0.0015017300000000, -0.0110969000000000 ] - [ -0.0023448900000000, 0.0016289800000000, -0.0176522700000000 ] - [ 0.0041273100000000, 0.0017186100000000, -0.0113124600000000 ] - [ 0.0033999100000000, 0.0023005000000000, -0.0115052400000000 ] - [ -0.0021709500000000, 0.0141385400000000, 0.0133740900000000 ] - [ -0.0037953900000000, 0.0025446300000000, 0.0113265300000000 ] - [ -0.0018973600000000, 0.0066303300000000, 0.0104274100000000 ] - [ -0.0029351600000000, 0.0014961000000000, 0.0113556700000000 ] - [ -0.0014111900000000, 0.0032976800000000, 0.0005711200000000 ] - [ -0.0016032100000000, -0.0002025500000000, -0.0003600400000000 ] - [ -0.0000289000000000, -0.0002609700000000, 0.0000666100000000 ] - [ -0.0000949200000000, 0.0005254700000000, -0.0001344300000000 ] - [ -0.0002078000000000, 0.0004879800000000, -0.0000926200000000 ] - [ 0.0001554600000000, -0.0000045400000000, 0.0001122000000000 ] - [ 0.0000774800000000, -0.0009287600000000, 0.0006854300000000 ] - [ -0.0000148000000000, -0.0000519700000000, -0.0000601000000000 ] - [ -0.0262917100000000, 0.0243459900000000, 0.0178560000000000 ] - [ -0.0265925900000000, 0.0248121300000000, 0.0191257800000000 ] - [ -0.0259993000000000, 0.0271679600000000, 0.0182301500000000 ] - [ -0.0282447500000000, 0.0263586600000000, 0.0169252200000000 ] - [ 0.0195845300000000, 0.0251176400000000, -0.0356032500000000 ] - [ 0.0274873200000000, 0.0261958700000000, -0.0181653600000000 ] - [ 0.0258299500000000, 0.0269535700000000, -0.0193140100000000 ] - [ 0.0266200500000000, 0.0256658600000000, -0.0188766000000000 ] - [ -0.0272646100000000, -0.0245432200000000, 0.0192271200000000 ] - [ -0.0254695200000000, -0.0257445200000000, 0.0188767300000000 ] - [ -0.0256563500000000, -0.0270744700000000, 0.0201455000000000 ] - [ -0.0267670900000000, -0.0260891000000000, 0.0188185000000000 ] - [ 0.0253685500000000, -0.0239685600000000, -0.0177847900000000 ] - [ 0.0381828300000000, -0.0115240100000000, -0.0078191900000000 ] - [ 0.0252495900000000, -0.0266650000000000, -0.0190561300000000 ] - [ 0.0272130100000000, -0.0278008100000000, -0.0187062000000000 ] - [ -0.0019827600000000, 0.0022157300000000, -0.0008392400000000 ] - [ 0.0012296700000000, 0.0008590500000000, 0.0036938500000000 ] - [ 0.0012838800000000, -0.0006075900000000, 0.0001861200000000 ] - [ -0.0003616500000000, -0.0008640500000000, 0.0000149900000000 ] - [ -0.0325150200000000, 0.0908656100000000, -0.0160961200000000 ] - [ -0.0006740600000000, 0.0024562000000000, 0.0005027000000000 ] - [ -0.0013916500000000, -0.0055643100000000, -0.0015506300000000 ] - [ 0.0006811600000000, -0.0009044700000000, 0.0002382200000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0629435500000000, 0.1758883200000000, -0.0397583600000000 ] - [ -0.0203665000000000, 0.0402100700000000, -0.0073288300000000 ] - [ -0.0210989400000000, 0.0398134000000000, -0.0069653200000000 ] - [ -0.0203028000000000, 0.0387120100000000, -0.0075310400000000 ] - [ 0.0203767200000000, 0.0386713500000000, 0.0070718900000000 ] - [ 0.0246839000000000, 0.0384408000000000, 0.0100770700000000 ] - [ 0.0209558200000000, 0.0387470900000000, 0.0075275700000000 ] - [ 0.0192991400000000, 0.0380158100000000, 0.0068085500000000 ] - [ 0.0170154000000000, -0.0492557800000000, 0.0047605100000000 ] - [ 0.0214980300000000, -0.0396833100000000, 0.0076367400000000 ] - [ 0.0238132900000000, -0.0366971800000000, 0.0103035600000000 ] - [ 0.0204904700000000, -0.0388824400000000, 0.0070567000000000 ] - [ -0.0206134800000000, -0.0378920900000000, -0.0073635000000000 ] - [ -0.0207730200000000, -0.0376897800000000, -0.0070111400000000 ] - [ -0.0202544000000000, -0.0394036100000000, -0.0075678700000000 ] - [ -0.0204742400000000, -0.0389631700000000, -0.0074672900000000 ] - [ 0.0019893800000000, 0.0031066300000000, 0.0381887700000000 ] - [ 0.0042771400000000, 0.0105307900000000, 0.0414375900000000 ] - [ 0.0104326700000000, 0.0053129800000000, 0.0356948700000000 ] - [ 0.0029369400000000, 0.0107305000000000, 0.0426531200000000 ] - [ -0.0116303900000000, 0.0124512300000000, -0.0371404000000000 ] - [ 0.0004777100000000, 0.0099592700000000, -0.0344986800000000 ] - [ -0.0032055800000000, 0.0103351700000000, -0.0416008400000000 ] - [ -0.0036703600000000, 0.0104651200000000, -0.0421369600000000 ] - [ -0.0038603800000000, -0.0097834200000000, -0.0320965800000000 ] - [ -0.0045333700000000, -0.0102163500000000, -0.0418247900000000 ] - [ -0.0044103500000000, -0.0110657600000000, -0.0429519800000000 ] - [ -0.0042880900000000, -0.0107167700000000, -0.0416349100000000 ] - [ 0.0068261700000000, -0.0119885300000000, 0.0340294500000000 ] - [ 0.0043033300000000, -0.0104918400000000, 0.0405927300000000 ] - [ 0.0042805300000000, -0.0112355900000000, 0.0422095300000000 ] - [ 0.0032056700000000, -0.0103660400000000, 0.0425622500000000 ] - [ -0.0085069000000000, -0.0010796700000000, 0.0157996500000000 ] - [ -0.0068867300000000, -0.0026395200000000, 0.0095220900000000 ] - [ -0.0041683300000000, -0.0021249600000000, 0.0113153600000000 ] - [ -0.0041836700000000, -0.0016114200000000, 0.0102601600000000 ] - [ 0.0046950800000000, 0.0037074100000000, -0.0116153400000000 ] - [ 0.0059835000000000, 0.0012938000000000, -0.0117006800000000 ] - [ 0.0061404500000000, -0.0010246200000000, -0.0109978500000000 ] - [ 0.0047265300000000, -0.0017980700000000, -0.0112737000000000 ] - [ 0.0048695000000000, 0.0021215800000000, -0.0116709000000000 ] - [ 0.0108935100000000, 0.0017131200000000, -0.0049142900000000 ] - [ 0.0042454400000000, 0.0018218200000000, -0.0113980400000000 ] - [ 0.0047298100000000, 0.0014072800000000, -0.0112711000000000 ] - [ -0.0061824100000000, -0.0105345400000000, 0.0093615700000000 ] - [ -0.0046672000000000, 0.0009199600000000, 0.0113503000000000 ] - [ -0.0067075700000000, -0.0034658800000000, 0.0121929100000000 ] - [ -0.0053514800000000, 0.0021170600000000, 0.0113858600000000 ] - [ 0.0010734000000000, -0.0030565200000000, -0.0005354500000000 ] - [ 0.0016140900000000, 0.0002413600000000, 0.0004188800000000 ] - [ 0.0000481500000000, 0.0002412400000000, -0.0000217100000000 ] - [ 0.0001001600000000, -0.0005780500000000, 0.0000789600000000 ] - [ 0.0002217400000000, -0.0004418400000000, 0.0001166000000000 ] - [ -0.0001483900000000, 0.0000645800000000, -0.0001495600000000 ] - [ -0.0000934800000000, 0.0008590300000000, -0.0006973200000000 ] - [ 0.0000164600000000, -0.0000089900000000, 0.0000892700000000 ] - [ -0.0271801500000000, 0.0274331000000000, 0.0197632200000000 ] - [ -0.0266951000000000, 0.0266268200000000, 0.0186383100000000 ] - [ -0.0272844900000000, 0.0243954200000000, 0.0195836400000000 ] - [ -0.0251873500000000, 0.0256023200000000, 0.0208105200000000 ] - [ 0.0340856800000000, 0.0266504500000000, -0.0019232200000000 ] - [ 0.0257027000000000, 0.0256294200000000, -0.0195806800000000 ] - [ 0.0273473800000000, 0.0246293800000000, -0.0186019400000000 ] - [ 0.0269150300000000, 0.0258562200000000, -0.0190219900000000 ] - [ -0.0259575500000000, -0.0262251800000000, 0.0177441700000000 ] - [ -0.0277126400000000, -0.0258039900000000, 0.0189454000000000 ] - [ -0.0275467600000000, -0.0244712000000000, 0.0178005000000000 ] - [ -0.0267862300000000, -0.0256997500000000, 0.0190162800000000 ] - [ 0.0278984200000000, -0.0277906300000000, -0.0199958300000000 ] - [ 0.0148286100000000, -0.0402251200000000, -0.0303132000000000 ] - [ 0.0282185100000000, -0.0250002700000000, -0.0186016900000000 ] - [ 0.0261507100000000, -0.0241724200000000, -0.0188953600000000 ] - [ 0.0019795700000000, -0.0022198100000000, 0.0008762800000000 ] - [ -0.0011956100000000, -0.0008330600000000, -0.0036776200000000 ] - [ -0.0012911200000000, 0.0006268700000000, -0.0002070500000000 ] - [ 0.0003315200000000, 0.0008488800000000, -0.0000138200000000 ] - [ 0.0350918400000000, -0.0949128900000000, 0.0175625200000000 ] - [ 0.0006876900000000, -0.0024684600000000, -0.0005195000000000 ] - [ 0.0013613000000000, 0.0054240500000000, 0.0014696500000000 ] - [ -0.0006604900000000, 0.0008967800000000, -0.0002366800000000 ]- atom: 1 displacement: [ -0.0055843151685910, 0.0000000000000000, 0.0082955062592855 ] forces: - [ 0.0166494000000000, 0.0414882400000000, -0.0568177100000000 ] - [ -0.0210258900000000, 0.0386705000000000, -0.0072327600000000 ] - [ -0.0202399600000000, 0.0379535300000000, -0.0071614400000000 ] - [ -0.0208163700000000, 0.0389384900000000, -0.0071741200000000 ] - [ 0.0196376600000000, 0.0384422100000000, 0.0078093400000000 ] - [ 0.0235987500000000, 0.0388683700000000, 0.0088535700000000 ] - [ 0.0199858700000000, 0.0383755700000000, 0.0080333200000000 ] - [ 0.0208638400000000, 0.0386205800000000, 0.0070065400000000 ] - [ 0.0208788000000000, -0.0383844400000000, 0.0053128400000000 ] - [ 0.0194731200000000, -0.0383536900000000, 0.0079492500000000 ] - [ 0.0195574600000000, -0.0391620700000000, 0.0034410000000000 ] - [ 0.0200152200000000, -0.0383852900000000, 0.0072066300000000 ] - [ -0.0208751900000000, -0.0384946500000000, -0.0062632000000000 ] - [ -0.0186779900000000, -0.0382277300000000, -0.0070764000000000 ] - [ -0.0205482100000000, -0.0388538500000000, -0.0073985700000000 ] - [ -0.0200950800000000, -0.0388204100000000, -0.0075247800000000 ] - [ 0.0024415900000000, 0.0047335600000000, 0.0384727800000000 ] - [ 0.0039629700000000, 0.0106506800000000, 0.0419571500000000 ] - [ -0.0017000000000000, 0.0212619000000000, 0.0423923800000000 ] - [ 0.0045759800000000, 0.0106487900000000, 0.0415344500000000 ] - [ -0.0083732600000000, 0.0100340200000000, -0.0391873000000000 ] - [ -0.0033227500000000, 0.0107566500000000, -0.0430561400000000 ] - [ -0.0038645300000000, 0.0109064100000000, -0.0415392200000000 ] - [ -0.0039112900000000, 0.0104231200000000, -0.0419750100000000 ] - [ 0.0000822800000000, -0.0190460700000000, -0.0356792600000000 ] - [ -0.0047646300000000, -0.0108095900000000, -0.0419093700000000 ] - [ -0.0039209700000000, -0.0102377700000000, -0.0418915700000000 ] - [ -0.0040483900000000, -0.0107343000000000, -0.0417816200000000 ] - [ 0.0004102900000000, -0.0084243600000000, 0.0482916500000000 ] - [ 0.0040985800000000, -0.0108325400000000, 0.0419192400000000 ] - [ 0.0043955800000000, -0.0118027400000000, 0.0424780500000000 ] - [ 0.0040474400000000, -0.0105493400000000, 0.0419005100000000 ] - [ -0.0062686800000000, -0.0013062400000000, 0.0142641000000000 ] - [ -0.0023093100000000, -0.0003049900000000, 0.0128432900000000 ] - [ -0.0045438000000000, -0.0014279100000000, 0.0123792100000000 ] - [ -0.0038308100000000, -0.0015595500000000, 0.0114712000000000 ] - [ 0.0022151800000000, 0.0007361600000000, -0.0164923400000000 ] - [ -0.0035715100000000, -0.0042747100000000, -0.0111881900000000 ] - [ 0.0037624300000000, -0.0015858300000000, -0.0114934200000000 ] - [ 0.0036775900000000, -0.0018671900000000, -0.0116898300000000 ] - [ 0.0032781300000000, 0.0015203400000000, -0.0102215200000000 ] - [ 0.0110095600000000, 0.0005614100000000, -0.0024812300000000 ] - [ 0.0043094900000000, 0.0018209700000000, -0.0107535500000000 ] - [ 0.0050681900000000, 0.0017169300000000, -0.0106331800000000 ] - [ -0.0038791800000000, 0.0017965000000000, 0.0102259100000000 ] - [ -0.0043760700000000, 0.0016859200000000, 0.0111028300000000 ] - [ -0.0025962700000000, -0.0002174100000000, 0.0098862600000000 ] - [ -0.0052696400000000, 0.0018712800000000, 0.0113290000000000 ] - [ -0.0060144200000000, 0.0034611700000000, 0.0031075400000000 ] - [ 0.0005774000000000, 0.0002572300000000, 0.0003906700000000 ] - [ 0.0000422600000000, 0.0001271800000000, 0.0000372700000000 ] - [ 0.0003254000000000, -0.0002981800000000, 0.0000817000000000 ] - [ 0.0000128900000000, -0.0005819800000000, -0.0011813800000000 ] - [ -0.0000969600000000, -0.0000591600000000, -0.0007063100000000 ] - [ -0.0000544500000000, 0.0005071700000000, -0.0004464500000000 ] - [ 0.0000524700000000, -0.0000632200000000, -0.0000180100000000 ] - [ -0.0259302100000000, 0.0249009700000000, 0.0185945600000000 ] - [ -0.0268296900000000, 0.0258847300000000, 0.0191106400000000 ] - [ -0.0230324800000000, 0.0289144800000000, 0.0169405800000000 ] - [ -0.0275479800000000, 0.0258649300000000, 0.0201188100000000 ] - [ 0.0194049800000000, 0.0216571000000000, -0.0224903200000000 ] - [ 0.0281912900000000, 0.0257183000000000, -0.0203127100000000 ] - [ 0.0266282000000000, 0.0263863800000000, -0.0186962000000000 ] - [ 0.0266285000000000, 0.0257397300000000, -0.0189927300000000 ] - [ -0.0322989300000000, -0.0341463200000000, 0.0336527600000000 ] - [ -0.0262732700000000, -0.0258043100000000, 0.0187406800000000 ] - [ -0.0278952600000000, -0.0279921300000000, 0.0180997700000000 ] - [ -0.0261515500000000, -0.0260691800000000, 0.0185083900000000 ] - [ 0.0302957700000000, -0.0257460100000000, -0.0196773400000000 ] - [ 0.0230219300000000, -0.0248327800000000, -0.0115898900000000 ] - [ 0.0279664600000000, -0.0255712500000000, -0.0191152400000000 ] - [ 0.0261202600000000, -0.0255314700000000, -0.0192486400000000 ] - [ 0.0043473900000000, 0.0012656300000000, -0.0066654100000000 ] - [ -0.0069086400000000, -0.0001988400000000, -0.0001962400000000 ] - [ -0.0002992400000000, 0.0008382900000000, -0.0015363000000000 ] - [ -0.0007480200000000, 0.0001043500000000, 0.0003498300000000 ] - [ -0.0127723200000000, 0.0058694300000000, 0.0216761400000000 ] - [ 0.0043017800000000, 0.0011758100000000, 0.0008593100000000 ] - [ -0.0008794200000000, -0.0008544000000000, 0.0013459700000000 ] - [ 0.0006502800000000, 0.0002568600000000, -0.0001802300000000 ]- atom: 1 displacement: [ 0.0055843151685910, 0.0000000000000000, -0.0082955062592855 ] forces: - [ -0.0569931200000000, 0.0344822200000000, 0.0426799600000000 ] - [ -0.0197163800000000, 0.0385321100000000, -0.0073427300000000 ] - [ -0.0205064600000000, 0.0393443300000000, -0.0074363100000000 ] - [ -0.0199857400000000, 0.0384732300000000, -0.0074546700000000 ] - [ 0.0210723800000000, 0.0387753300000000, 0.0067609600000000 ] - [ 0.0170385500000000, 0.0382273000000000, 0.0056653100000000 ] - [ 0.0207682200000000, 0.0389339900000000, 0.0065705000000000 ] - [ 0.0199142600000000, 0.0387126000000000, 0.0076070400000000 ] - [ 0.0198856400000000, -0.0388991000000000, 0.0092482000000000 ] - [ 0.0213258700000000, -0.0390756000000000, 0.0066758700000000 ] - [ 0.0211654900000000, -0.0380978200000000, 0.0111575000000000 ] - [ 0.0206927600000000, -0.0388251200000000, 0.0073738100000000 ] - [ -0.0198645600000000, -0.0387192300000000, -0.0082886800000000 ] - [ -0.0219936800000000, -0.0388936600000000, -0.0074568000000000 ] - [ -0.0202108700000000, -0.0384463600000000, -0.0071960100000000 ] - [ -0.0206602700000000, -0.0385006500000000, -0.0070792100000000 ] - [ 0.0052067400000000, 0.0165306500000000, 0.0457956700000000 ] - [ 0.0036639400000000, 0.0104853700000000, 0.0421906300000000 ] - [ 0.0094076200000000, -0.0003188200000000, 0.0417747500000000 ] - [ 0.0029598500000000, 0.0105545200000000, 0.0427751100000000 ] - [ 0.0008517200000000, 0.0111930000000000, -0.0452020700000000 ] - [ -0.0042049800000000, 0.0104303600000000, -0.0413037700000000 ] - [ -0.0037350000000000, 0.0102518400000000, -0.0426618500000000 ] - [ -0.0036835000000000, 0.0107709400000000, -0.0422633000000000 ] - [ -0.0075695500000000, -0.0022929800000000, -0.0483526800000000 ] - [ -0.0027655500000000, -0.0103835000000000, -0.0424193000000000 ] - [ -0.0036855700000000, -0.0109579700000000, -0.0423305200000000 ] - [ -0.0035790500000000, -0.0104178400000000, -0.0423582600000000 ] - [ 0.0070921700000000, -0.0127134300000000, 0.0360718700000000 ] - [ 0.0034771600000000, -0.0103731100000000, 0.0423875200000000 ] - [ 0.0032082100000000, -0.0093741100000000, 0.0417351300000000 ] - [ 0.0035557900000000, -0.0106406000000000, 0.0423558700000000 ] - [ -0.0020108000000000, -0.0022832000000000, 0.0084530300000000 ] - [ -0.0059223600000000, -0.0033176900000000, 0.0099356100000000 ] - [ -0.0038267600000000, -0.0020913200000000, 0.0103166600000000 ] - [ -0.0045415800000000, -0.0019869700000000, 0.0112335700000000 ] - [ 0.0060850200000000, -0.0043307800000000, -0.0062049000000000 ] - [ 0.0117878300000000, 0.0006691900000000, -0.0115207500000000 ] - [ 0.0045707200000000, -0.0019626200000000, -0.0112011200000000 ] - [ 0.0047572100000000, -0.0016086700000000, -0.0109738400000000 ] - [ 0.0050176700000000, 0.0020572800000000, -0.0124994500000000 ] - [ -0.0028918900000000, 0.0030820800000000, -0.0203689600000000 ] - [ 0.0040697900000000, 0.0017068900000000, -0.0119384000000000 ] - [ 0.0032961800000000, 0.0018071000000000, -0.0120772700000000 ] - [ -0.0044250300000000, 0.0017862500000000, 0.0125026000000000 ] - [ -0.0040584000000000, 0.0017923900000000, 0.0115609600000000 ] - [ -0.0056959400000000, 0.0037618600000000, 0.0127940100000000 ] - [ -0.0030178900000000, 0.0017124100000000, 0.0113909400000000 ] - [ 0.0057348700000000, -0.0032066500000000, -0.0030448900000000 ] - [ -0.0005644900000000, -0.0002169700000000, -0.0004075300000000 ] - [ -0.0000592100000000, -0.0001654900000000, -0.0000248800000000 ] - [ -0.0002948000000000, 0.0002659600000000, -0.0001019900000000 ] - [ 0.0000054500000000, 0.0005377900000000, 0.0012099700000000 ] - [ 0.0000705900000000, 0.0000106100000000, 0.0006921400000000 ] - [ 0.0000703600000000, -0.0004622100000000, 0.0004249500000000 ] - [ -0.0000650400000000, 0.0001113900000000, 0.0000437900000000 ] - [ -0.0275608700000000, 0.0268524100000000, 0.0190677700000000 ] - [ -0.0264723000000000, 0.0259311100000000, 0.0185133600000000 ] - [ -0.0302422900000000, 0.0227445300000000, 0.0208465200000000 ] - [ -0.0258574500000000, 0.0257203900000000, 0.0176627400000000 ] - [ 0.0338325400000000, 0.0299266800000000, -0.0153524800000000 ] - [ 0.0252575400000000, 0.0260421500000000, -0.0175618700000000 ] - [ 0.0267252800000000, 0.0253158200000000, -0.0190326400000000 ] - [ 0.0267698500000000, 0.0258254700000000, -0.0188266000000000 ] - [ -0.0208320700000000, -0.0168630200000000, 0.0037754800000000 ] - [ -0.0271538200000000, -0.0257190800000000, 0.0191923900000000 ] - [ -0.0254375700000000, -0.0236833900000000, 0.0196335000000000 ] - [ -0.0272721400000000, -0.0257259100000000, 0.0192408700000000 ] - [ 0.0230157400000000, -0.0259857100000000, -0.0181109500000000 ] - [ 0.0304149700000000, -0.0269509800000000, -0.0260545400000000 ] - [ 0.0254900100000000, -0.0260789400000000, -0.0185874800000000 ] - [ 0.0271804400000000, -0.0260885400000000, -0.0184466400000000 ] - [ -0.0042953500000000, -0.0013029900000000, 0.0066845600000000 ] - [ 0.0069417800000000, 0.0002347500000000, 0.0002203100000000 ] - [ 0.0002914600000000, -0.0008162000000000, 0.0015214800000000 ] - [ 0.0007188800000000, -0.0001043100000000, -0.0003484600000000 ] - [ 0.0123430600000000, -0.0051509500000000, -0.0218757000000000 ] - [ -0.0042643600000000, -0.0011842300000000, -0.0008590800000000 ] - [ 0.0008174800000000, 0.0008442200000000, -0.0013732100000000 ] - [ -0.0006343700000000, -0.0002198000000000, 0.0001968300000000 ]- atom: 17 displacement: [ 0.0099999976460255, 0.0000000000000000, 0.0000068614491578 ] forces: - [ -0.0201272700000000, 0.0405576600000000, -0.0088331000000000 ] - [ -0.0203783700000000, 0.0382047000000000, -0.0071196000000000 ] - [ -0.0185906200000000, 0.0321646400000000, -0.0127389600000000 ] - [ -0.0139674000000000, 0.0396590300000000, -0.0020097200000000 ] - [ 0.0217672300000000, 0.0307070200000000, 0.0026525100000000 ] - [ 0.0263534300000000, 0.0430157400000000, 0.0118630000000000 ] - [ 0.0203677600000000, 0.0389263300000000, 0.0071683900000000 ] - [ 0.0205340600000000, 0.0386107000000000, 0.0072646100000000 ] - [ 0.0171331500000000, -0.0385493000000000, 0.0097016500000000 ] - [ 0.0212243600000000, -0.0380364900000000, 0.0066964300000000 ] - [ 0.0203909200000000, -0.0381310400000000, 0.0071619000000000 ] - [ 0.0209800100000000, -0.0382047000000000, 0.0074227900000000 ] - [ -0.0208128400000000, -0.0381209000000000, -0.0068389700000000 ] - [ -0.0200682300000000, -0.0392186200000000, -0.0068026900000000 ] - [ -0.0194544600000000, -0.0352766800000000, -0.0106700100000000 ] - [ -0.0195394200000000, -0.0381131100000000, -0.0063616600000000 ] - [ -0.0865876400000000, -0.0141090300000000, 0.0704329700000000 ] - [ 0.0069319300000000, 0.0107215500000000, 0.0430718100000000 ] - [ 0.0035856400000000, 0.0111089000000000, 0.0418644900000000 ] - [ 0.0035565100000000, 0.0109331800000000, 0.0420745300000000 ] - [ -0.0040891800000000, 0.0077561900000000, -0.0445924800000000 ] - [ -0.0031475500000000, 0.0107130500000000, -0.0428208800000000 ] - [ -0.0040133700000000, 0.0174485800000000, -0.0460303700000000 ] - [ -0.0030798900000000, 0.0099075700000000, -0.0417682700000000 ] - [ -0.0042053900000000, -0.0105840300000000, -0.0425390500000000 ] - [ -0.0043064000000000, -0.0105849100000000, -0.0423585600000000 ] - [ -0.0078722900000000, -0.0120931300000000, -0.0439322900000000 ] - [ -0.0030799900000000, -0.0106752800000000, -0.0410924800000000 ] - [ 0.0035298200000000, -0.0110051800000000, 0.0416797400000000 ] - [ 0.0034848800000000, -0.0110862500000000, 0.0435994700000000 ] - [ 0.0030542800000000, -0.0104428500000000, 0.0420088700000000 ] - [ 0.0039299700000000, -0.0105122500000000, 0.0428890000000000 ] - [ -0.0041400900000000, -0.0043711000000000, 0.0101476200000000 ] - [ -0.0033832000000000, -0.0014662900000000, 0.0118750300000000 ] - [ -0.0037188800000000, -0.0019503400000000, 0.0115205500000000 ] - [ -0.0037442000000000, -0.0020216200000000, 0.0116695100000000 ] - [ 0.0041006600000000, -0.0019271200000000, -0.0113310000000000 ] - [ 0.0048977100000000, -0.0017406900000000, -0.0111373800000000 ] - [ -0.0001428600000000, -0.0008188500000000, -0.0031150000000000 ] - [ 0.0048748900000000, -0.0021626500000000, -0.0121258900000000 ] - [ 0.0041129500000000, 0.0015563400000000, -0.0119392100000000 ] - [ 0.0062544200000000, 0.0017681800000000, -0.0101983300000000 ] - [ 0.0038046200000000, 0.0080454400000000, -0.0168901700000000 ] - [ 0.0048424300000000, -0.0003791700000000, -0.0095657200000000 ] - [ 0.0000326800000000, 0.0026425200000000, 0.0029962500000000 ] - [ 0.0024605500000000, -0.0001125300000000, 0.0158673400000000 ] - [ -0.0042676900000000, 0.0019076400000000, 0.0113807800000000 ] - [ -0.0037427700000000, 0.0017201100000000, 0.0115686400000000 ] - [ -0.0003330100000000, -0.0004476300000000, 0.0000878200000000 ] - [ -0.0004457700000000, 0.0011000700000000, -0.0007260800000000 ] - [ -0.0003638200000000, 0.0002445100000000, 0.0000813500000000 ] - [ -0.0000291300000000, -0.0009690000000000, -0.0003767900000000 ] - [ -0.0000325500000000, 0.0000196900000000, -0.0000211800000000 ] - [ 0.0000862500000000, 0.0000127600000000, -0.0000150700000000 ] - [ 0.0038523600000000, -0.0005046800000000, 0.0070810900000000 ] - [ -0.0008375600000000, 0.0001082700000000, 0.0003252500000000 ] - [ -0.0267700500000000, 0.0269839600000000, 0.0216271700000000 ] - [ -0.0283633200000000, 0.0275567500000000, 0.0160287300000000 ] - [ -0.0266788800000000, 0.0257901100000000, 0.0184797900000000 ] - [ -0.0267584600000000, 0.0258563400000000, 0.0190177900000000 ] - [ 0.0277631600000000, 0.0270134500000000, -0.0184218800000000 ] - [ 0.0264405700000000, 0.0256701600000000, -0.0189678800000000 ] - [ 0.0277936900000000, 0.0240954600000000, -0.0187600400000000 ] - [ 0.0262145500000000, 0.0250518900000000, -0.0197439000000000 ] - [ -0.0171259600000000, -0.0102699900000000, 0.0215473100000000 ] - [ -0.0279408700000000, -0.0243054600000000, 0.0188086100000000 ] - [ -0.0251948100000000, -0.0252781500000000, 0.0184448800000000 ] - [ -0.0277939700000000, -0.0271631500000000, 0.0192705500000000 ] - [ 0.0266728400000000, -0.0258577200000000, -0.0189725100000000 ] - [ 0.0263701300000000, -0.0260787000000000, -0.0191219400000000 ] - [ 0.0628264700000000, -0.0185322200000000, -0.0225870000000000 ] - [ 0.0188650200000000, -0.0233715000000000, -0.0194571800000000 ] - [ 0.0001727300000000, 0.0050756400000000, 0.0033807800000000 ] - [ -0.0043767600000000, -0.0023322900000000, -0.0025728700000000 ] - [ 0.0007387500000000, -0.0045103800000000, 0.0041383000000000 ] - [ -0.0017312100000000, 0.0005889700000000, -0.0018965400000000 ] - [ 0.0010978700000000, -0.0022571200000000, 0.0004612800000000 ] - [ -0.0000484000000000, 0.0002589200000000, -0.0002125900000000 ] - [ 0.0366466200000000, -0.0008623100000000, -0.0266952300000000 ] - [ -0.0064613400000000, 0.0009324000000000, -0.0019981300000000 ]- atom: 17 displacement: [ -0.0099999976460255, 0.0000000000000000, -0.0000068614491578 ] forces: - [ -0.0206183800000000, 0.0367901400000000, -0.0058135100000000 ] - [ -0.0203394000000000, 0.0389751600000000, -0.0074245600000000 ] - [ -0.0222269200000000, 0.0454198600000000, -0.0018526400000000 ] - [ -0.0267152700000000, 0.0376464200000000, -0.0125053500000000 ] - [ 0.0189264000000000, 0.0463572600000000, 0.0118508400000000 ] - [ 0.0144473900000000, 0.0344019900000000, 0.0027621200000000 ] - [ 0.0202837700000000, 0.0381286300000000, 0.0073336800000000 ] - [ 0.0201272100000000, 0.0384806300000000, 0.0072533300000000 ] - [ 0.0236712900000000, -0.0388445500000000, 0.0049261300000000 ] - [ 0.0195314300000000, -0.0392565200000000, 0.0079279300000000 ] - [ 0.0203743900000000, -0.0391816500000000, 0.0074236200000000 ] - [ 0.0197356900000000, -0.0389770700000000, 0.0071262800000000 ] - [ -0.0199253200000000, -0.0390623100000000, -0.0077086300000000 ] - [ -0.0207578500000000, -0.0382541100000000, -0.0078463800000000 ] - [ -0.0212358400000000, -0.0417015500000000, -0.0038511100000000 ] - [ -0.0211514800000000, -0.0389832700000000, -0.0081729600000000 ] - [ 0.0916846100000000, 0.0345162100000000, 0.0132969900000000 ] - [ 0.0006367300000000, 0.0104635700000000, 0.0411876000000000 ] - [ 0.0040047000000000, 0.0100809100000000, 0.0423771200000000 ] - [ 0.0040370200000000, 0.0102435800000000, 0.0422126000000000 ] - [ -0.0035221500000000, 0.0134433400000000, -0.0396703100000000 ] - [ -0.0045058200000000, 0.0104309100000000, -0.0412766600000000 ] - [ -0.0035539200000000, 0.0038367100000000, -0.0383984100000000 ] - [ -0.0044371300000000, 0.0113132100000000, -0.0426212400000000 ] - [ -0.0033683200000000, -0.0105999600000000, -0.0417008200000000 ] - [ -0.0032843000000000, -0.0106016700000000, -0.0419131700000000 ] - [ 0.0002411100000000, -0.0090787000000000, -0.0402089300000000 ] - [ -0.0045156500000000, -0.0105069900000000, -0.0431186600000000 ] - [ 0.0040522200000000, -0.0101665300000000, 0.0425690000000000 ] - [ 0.0041353800000000, -0.0100665400000000, 0.0404810500000000 ] - [ 0.0044939200000000, -0.0107699900000000, 0.0423894700000000 ] - [ 0.0036000000000000, -0.0106939400000000, 0.0414937700000000 ] - [ -0.0041618000000000, 0.0007931800000000, 0.0126682100000000 ] - [ -0.0051344000000000, -0.0019713300000000, 0.0107611800000000 ] - [ -0.0044899400000000, -0.0017276200000000, 0.0112453100000000 ] - [ -0.0044530200000000, -0.0016546000000000, 0.0110897600000000 ] - [ 0.0042566000000000, -0.0016047600000000, -0.0113704600000000 ] - [ 0.0034068900000000, -0.0018471600000000, -0.0115824600000000 ] - [ 0.0085401800000000, -0.0026034800000000, -0.0193939600000000 ] - [ 0.0034731800000000, -0.0013896600000000, -0.0105623700000000 ] - [ 0.0042028300000000, 0.0020224200000000, -0.0107806800000000 ] - [ 0.0022701600000000, 0.0016857700000000, -0.0124208200000000 ] - [ 0.0044126600000000, -0.0042794700000000, -0.0059897600000000 ] - [ 0.0033565700000000, 0.0040153400000000, -0.0132065200000000 ] - [ -0.0088309100000000, 0.0006955700000000, 0.0200163000000000 ] - [ -0.0107079000000000, 0.0036438200000000, 0.0069136600000000 ] - [ -0.0040987300000000, 0.0016372500000000, 0.0113124000000000 ] - [ -0.0045503100000000, 0.0018684700000000, 0.0111602800000000 ] - [ 0.0003640300000000, 0.0005209700000000, -0.0001320800000000 ] - [ 0.0004209400000000, -0.0010525400000000, 0.0007648800000000 ] - [ 0.0004016800000000, -0.0002880100000000, -0.0000957700000000 ] - [ 0.0000041900000000, 0.0009055600000000, 0.0003809600000000 ] - [ -0.0000018500000000, 0.0000618400000000, 0.0000348500000000 ] - [ -0.0000431400000000, 0.0000665400000000, -0.0000019800000000 ] - [ -0.0038451600000000, 0.0004336100000000, -0.0070806700000000 ] - [ 0.0008548900000000, -0.0001769000000000, -0.0003496100000000 ] - [ -0.0264686300000000, 0.0246293500000000, 0.0159241600000000 ] - [ -0.0250992800000000, 0.0239694300000000, 0.0216791300000000 ] - [ -0.0266596100000000, 0.0260135300000000, 0.0191770100000000 ] - [ -0.0266729300000000, 0.0260202800000000, 0.0187083800000000 ] - [ 0.0257620200000000, 0.0247646300000000, -0.0193118200000000 ] - [ 0.0268141200000000, 0.0260561100000000, -0.0187468000000000 ] - [ 0.0255855600000000, 0.0273666300000000, -0.0193155800000000 ] - [ 0.0270989100000000, 0.0265180600000000, -0.0182086800000000 ] - [ -0.0364247500000000, -0.0414393700000000, 0.0162848200000000 ] - [ -0.0253142500000000, -0.0273218400000000, 0.0189170400000000 ] - [ -0.0282053900000000, -0.0264349600000000, 0.0195756800000000 ] - [ -0.0255525300000000, -0.0245519000000000, 0.0186407200000000 ] - [ 0.0266537300000000, -0.0257441500000000, -0.0187588700000000 ] - [ 0.0270331600000000, -0.0254119100000000, -0.0187291700000000 ] - [ -0.0072319900000000, -0.0324823700000000, -0.0150522400000000 ] - [ 0.0347689500000000, -0.0285926000000000, -0.0180946800000000 ] - [ -0.0000749500000000, -0.0050065900000000, -0.0034140800000000 ] - [ 0.0044168800000000, 0.0024022200000000, 0.0025843300000000 ] - [ -0.0007006800000000, 0.0044205500000000, -0.0041048900000000 ] - [ 0.0017553900000000, -0.0005929800000000, 0.0019199800000000 ] - [ -0.0010996900000000, 0.0022211500000000, -0.0004206500000000 ] - [ 0.0000366400000000, -0.0002516000000000, 0.0002051000000000 ] - [ -0.0363341600000000, 0.0008377700000000, 0.0267078900000000 ] - [ 0.0064403400000000, -0.0009274000000000, 0.0019243600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0190415400000000, 0.0461773400000000, -0.0134562700000000 ] - [ -0.0205042000000000, 0.0386536900000000, -0.0072852500000000 ] - [ -0.0278145800000000, 0.0438447000000000, 0.0008657200000000 ] - [ -0.0190078100000000, 0.0384549600000000, -0.0063053300000000 ] - [ 0.0187642500000000, 0.0367192000000000, 0.0068915000000000 ] - [ 0.0248223100000000, 0.0393054600000000, 0.0100823200000000 ] - [ 0.0202164600000000, 0.0388295100000000, 0.0067862900000000 ] - [ 0.0202207900000000, 0.0388421500000000, 0.0073974700000000 ] - [ 0.0218074600000000, -0.0393006300000000, -0.0017703100000000 ] - [ 0.0208883400000000, -0.0389875700000000, 0.0073798600000000 ] - [ 0.0204910800000000, -0.0382557000000000, 0.0077940900000000 ] - [ 0.0203410700000000, -0.0384572800000000, 0.0070662000000000 ] - [ -0.0212905500000000, -0.0379459300000000, -0.0064529300000000 ] - [ -0.0200061200000000, -0.0389869300000000, -0.0070975600000000 ] - [ -0.0194010200000000, -0.0371890500000000, -0.0092134400000000 ] - [ -0.0202724500000000, -0.0387302000000000, -0.0069282800000000 ] - [ -0.0202660700000000, -0.0678824900000000, 0.0341562300000000 ] - [ 0.0039252500000000, 0.0100228800000000, 0.0423758400000000 ] - [ 0.0043504900000000, 0.0119977600000000, 0.0416535000000000 ] - [ 0.0041617500000000, 0.0107682700000000, 0.0419298600000000 ] - [ -0.0105262100000000, 0.0155795800000000, -0.0369028500000000 ] - [ -0.0031122500000000, 0.0105545300000000, -0.0418612800000000 ] - [ -0.0009330500000000, 0.0156627800000000, -0.0455449500000000 ] - [ -0.0039326200000000, 0.0105576000000000, -0.0425226400000000 ] - [ -0.0038132500000000, -0.0095551500000000, -0.0417089600000000 ] - [ -0.0038005600000000, -0.0100053100000000, -0.0420651200000000 ] - [ -0.0052804600000000, -0.0160145800000000, -0.0408654600000000 ] - [ -0.0038936300000000, -0.0107866600000000, -0.0418436000000000 ] - [ 0.0042383800000000, -0.0099738400000000, 0.0409852800000000 ] - [ 0.0043081000000000, -0.0109760200000000, 0.0419039900000000 ] - [ 0.0036124100000000, -0.0095573900000000, 0.0426907200000000 ] - [ 0.0037073000000000, -0.0102111900000000, 0.0421275600000000 ] - [ -0.0068710600000000, 0.0006670300000000, 0.0170464900000000 ] - [ -0.0049776300000000, -0.0010856900000000, 0.0108616500000000 ] - [ -0.0040333200000000, -0.0016994000000000, 0.0108657600000000 ] - [ -0.0038696000000000, -0.0017919900000000, 0.0114402100000000 ] - [ 0.0039262400000000, -0.0011050500000000, -0.0118442100000000 ] - [ 0.0043855400000000, -0.0016080200000000, -0.0114004800000000 ] - [ 0.0044727400000000, -0.0027567900000000, -0.0042593100000000 ] - [ 0.0041199600000000, -0.0028235300000000, -0.0110173600000000 ] - [ 0.0043849000000000, 0.0016161600000000, -0.0113360200000000 ] - [ 0.0107636700000000, 0.0029442800000000, -0.0045238500000000 ] - [ 0.0043094900000000, 0.0031010300000000, -0.0117231100000000 ] - [ 0.0009515800000000, 0.0037236100000000, -0.0136879400000000 ] - [ -0.0011346500000000, -0.0019032000000000, 0.0069017700000000 ] - [ -0.0038965700000000, -0.0004446700000000, 0.0128073800000000 ] - [ -0.0044222500000000, 0.0030276800000000, 0.0114588400000000 ] - [ -0.0042382900000000, 0.0020482200000000, 0.0113972200000000 ] - [ -0.0004747000000000, -0.0002377400000000, 0.0002642300000000 ] - [ 0.0009065800000000, -0.0005657700000000, 0.0006146300000000 ] - [ 0.0006102800000000, -0.0003190100000000, -0.0000435600000000 ] - [ -0.0003724500000000, -0.0004998700000000, -0.0002260200000000 ] - [ 0.0000211400000000, -0.0002625100000000, 0.0000123700000000 ] - [ 0.0000195700000000, 0.0000242800000000, -0.0000475100000000 ] - [ -0.0008436300000000, 0.0019500600000000, -0.0030666900000000 ] - [ -0.0002623800000000, 0.0001859900000000, 0.0004912800000000 ] - [ -0.0262026400000000, 0.0271743600000000, 0.0194790600000000 ] - [ -0.0259326800000000, 0.0276615300000000, 0.0186596600000000 ] - [ -0.0264863600000000, 0.0254362600000000, 0.0186226600000000 ] - [ -0.0270675800000000, 0.0254817500000000, 0.0185654800000000 ] - [ 0.0262849800000000, 0.0244940200000000, -0.0176948000000000 ] - [ 0.0261428600000000, 0.0252981300000000, -0.0197910300000000 ] - [ 0.0266851100000000, 0.0254448200000000, -0.0209198400000000 ] - [ 0.0264527100000000, 0.0257586900000000, -0.0184552500000000 ] - [ -0.0208734000000000, 0.0018020400000000, 0.0187826100000000 ] - [ -0.0267174400000000, -0.0253880000000000, 0.0189963700000000 ] - [ -0.0256254600000000, -0.0312612000000000, 0.0198107300000000 ] - [ -0.0271623700000000, -0.0265146400000000, 0.0188847000000000 ] - [ 0.0270767300000000, -0.0269972000000000, -0.0188327500000000 ] - [ 0.0260349800000000, -0.0267284900000000, -0.0191374500000000 ] - [ 0.0416524300000000, -0.0160661000000000, -0.0212031200000000 ] - [ 0.0279193600000000, -0.0222750600000000, -0.0189846200000000 ] - [ 0.0049758000000000, -0.0016678000000000, -0.0050334600000000 ] - [ -0.0041917200000000, 0.0008285100000000, -0.0007809600000000 ] - [ -0.0014029500000000, -0.0031321000000000, 0.0038246400000000 ] - [ 0.0014057600000000, -0.0010084000000000, 0.0007102700000000 ] - [ 0.0015222900000000, -0.0047718500000000, 0.0010297500000000 ] - [ 0.0000518900000000, -0.0000664500000000, 0.0002382800000000 ] - [ 0.0003633900000000, 0.0295051800000000, 0.0035829000000000 ] - [ -0.0013399000000000, 0.0016523900000000, -0.0016017900000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0217951500000000, 0.0312000600000000, -0.0010929700000000 ] - [ -0.0202592100000000, 0.0386462700000000, -0.0073073100000000 ] - [ -0.0130981100000000, 0.0335129000000000, -0.0152488200000000 ] - [ -0.0217013500000000, 0.0386560800000000, -0.0082446400000000 ] - [ 0.0219596000000000, 0.0404940700000000, 0.0076497300000000 ] - [ 0.0159099400000000, 0.0379918500000000, 0.0044781000000000 ] - [ 0.0205222400000000, 0.0384103900000000, 0.0077746400000000 ] - [ 0.0204885500000000, 0.0383375400000000, 0.0071503000000000 ] - [ 0.0189261400000000, -0.0378794300000000, 0.0164722100000000 ] - [ 0.0198068500000000, -0.0381429100000000, 0.0071549000000000 ] - [ 0.0203442700000000, -0.0392427400000000, 0.0068528100000000 ] - [ 0.0204264700000000, -0.0388383900000000, 0.0075174000000000 ] - [ -0.0194348100000000, -0.0392742200000000, -0.0081123900000000 ] - [ -0.0207565700000000, -0.0382947100000000, -0.0074823600000000 ] - [ -0.0213477500000000, -0.0400376500000000, -0.0053658100000000 ] - [ -0.0204463700000000, -0.0384369000000000, -0.0076011700000000 ] - [ 0.0284144800000000, 0.0910790800000000, 0.0502952600000000 ] - [ 0.0036403800000000, 0.0111812500000000, 0.0419371300000000 ] - [ 0.0032941100000000, 0.0091535000000000, 0.0424825000000000 ] - [ 0.0034714400000000, 0.0103986100000000, 0.0422479000000000 ] - [ 0.0030715600000000, 0.0055161000000000, -0.0474513400000000 ] - [ -0.0045005200000000, 0.0106277800000000, -0.0423885700000000 ] - [ -0.0066024300000000, 0.0055806100000000, -0.0387461200000000 ] - [ -0.0036501500000000, 0.0106219300000000, -0.0417467800000000 ] - [ -0.0038256800000000, -0.0116012500000000, -0.0424098500000000 ] - [ -0.0038389000000000, -0.0111725400000000, -0.0421102600000000 ] - [ -0.0023135400000000, -0.0051841500000000, -0.0433902600000000 ] - [ -0.0036783600000000, -0.0104214200000000, -0.0424741600000000 ] - [ 0.0033539600000000, -0.0112250600000000, 0.0432878200000000 ] - [ 0.0032769200000000, -0.0101955900000000, 0.0423354600000000 ] - [ 0.0039809100000000, -0.0116327400000000, 0.0415952900000000 ] - [ 0.0038804500000000, -0.0109715700000000, 0.0421352900000000 ] - [ -0.0013704200000000, -0.0042511800000000, 0.0056452300000000 ] - [ -0.0033658900000000, -0.0024692300000000, 0.0118552400000000 ] - [ -0.0043030600000000, -0.0018761500000000, 0.0118597500000000 ] - [ -0.0044117700000000, -0.0018203000000000, 0.0112860200000000 ] - [ 0.0045772600000000, -0.0023236800000000, -0.0108086600000000 ] - [ 0.0039894400000000, -0.0019293600000000, -0.0113048800000000 ] - [ 0.0038704500000000, -0.0008246400000000, -0.0183269500000000 ] - [ 0.0041163400000000, -0.0008009600000000, -0.0117334500000000 ] - [ 0.0039240000000000, 0.0019671800000000, -0.0113957100000000 ] - [ -0.0025394600000000, 0.0005724300000000, -0.0183361900000000 ] - [ 0.0040250400000000, 0.0004523900000000, -0.0109956800000000 ] - [ 0.0072918500000000, -0.0001170700000000, -0.0090603000000000 ] - [ -0.0072276900000000, 0.0055119300000000, 0.0158701700000000 ] - [ -0.0043528000000000, 0.0040709900000000, 0.0099308000000000 ] - [ -0.0040705200000000, 0.0004004400000000, 0.0111941500000000 ] - [ -0.0041383500000000, 0.0014899700000000, 0.0113145000000000 ] - [ 0.0005289200000000, 0.0001706200000000, -0.0002874700000000 ] - [ -0.0009484100000000, 0.0004927600000000, -0.0006142900000000 ] - [ -0.0005710600000000, 0.0003868400000000, 0.0000460600000000 ] - [ 0.0003229400000000, 0.0005621500000000, 0.0002294300000000 ] - [ -0.0000176900000000, 0.0002790400000000, 0.0000114100000000 ] - [ -0.0000248300000000, -0.0000110900000000, 0.0000259200000000 ] - [ 0.0008600900000000, -0.0019947000000000, 0.0031400100000000 ] - [ 0.0002629600000000, -0.0002005900000000, -0.0005011500000000 ] - [ -0.0271124800000000, 0.0244938700000000, 0.0183384700000000 ] - [ -0.0274891200000000, 0.0239724500000000, 0.0191591300000000 ] - [ -0.0268044600000000, 0.0262826500000000, 0.0190167100000000 ] - [ -0.0264286000000000, 0.0262936700000000, 0.0189974500000000 ] - [ 0.0271113200000000, 0.0270083700000000, -0.0202251800000000 ] - [ 0.0271962700000000, 0.0262558600000000, -0.0179841700000000 ] - [ 0.0266754800000000, 0.0263300900000000, -0.0169876000000000 ] - [ 0.0269585400000000, 0.0260178700000000, -0.0192953800000000 ] - [ -0.0332477100000000, -0.0553597200000000, 0.0190244200000000 ] - [ -0.0266444700000000, -0.0263926200000000, 0.0187336600000000 ] - [ -0.0276953200000000, -0.0203097700000000, 0.0181722200000000 ] - [ -0.0262166000000000, -0.0250465200000000, 0.0189226100000000 ] - [ 0.0262050300000000, -0.0247061300000000, -0.0188122100000000 ] - [ 0.0274763600000000, -0.0249541600000000, -0.0184483100000000 ] - [ 0.0117169200000000, -0.0356716600000000, -0.0165713800000000 ] - [ 0.0254985100000000, -0.0294307800000000, -0.0187923700000000 ] - [ -0.0050450100000000, 0.0016637800000000, 0.0051054200000000 ] - [ 0.0042328700000000, -0.0008831200000000, 0.0007839800000000 ] - [ 0.0013976100000000, 0.0031743500000000, -0.0038274400000000 ] - [ -0.0013741000000000, 0.0010144600000000, -0.0007058600000000 ] - [ -0.0015659500000000, 0.0048208900000000, -0.0010498000000000 ] - [ -0.0000544300000000, 0.0000725600000000, -0.0002360100000000 ] - [ -0.0001018400000000, -0.0295839100000000, -0.0041653200000000 ] - [ 0.0013644300000000, -0.0016570100000000, 0.0016090600000000 ]- atom: 17 displacement: [ -0.0055843151685910, 0.0000000000000000, 0.0082955062592855 ] forces: - [ -0.0199178400000000, 0.0409193900000000, -0.0097814600000000 ] - [ -0.0204330600000000, 0.0394188100000000, -0.0075470200000000 ] - [ -0.0240366200000000, 0.0477434500000000, -0.0057249500000000 ] - [ -0.0267369200000000, 0.0377020000000000, -0.0127206900000000 ] - [ 0.0175971400000000, 0.0471945900000000, 0.0115247600000000 ] - [ 0.0233797600000000, 0.0425127900000000, 0.0080741600000000 ] - [ 0.0202335500000000, 0.0386149900000000, 0.0078331800000000 ] - [ 0.0203401800000000, 0.0386258500000000, 0.0074398300000000 ] - [ 0.0227336300000000, -0.0470965500000000, 0.0127112300000000 ] - [ 0.0199436400000000, -0.0392989900000000, 0.0079302000000000 ] - [ 0.0202625600000000, -0.0382753100000000, 0.0075167700000000 ] - [ 0.0198591200000000, -0.0392521900000000, 0.0073925800000000 ] - [ -0.0208250300000000, -0.0388889100000000, -0.0076618100000000 ] - [ -0.0204284100000000, -0.0381774000000000, -0.0076846100000000 ] - [ -0.0246177400000000, -0.0468912700000000, -0.0017801200000000 ] - [ -0.0211696800000000, -0.0399222600000000, -0.0081934900000000 ] - [ 0.0781672000000000, 0.0167702300000000, -0.1180449100000000 ] - [ 0.0029015400000000, 0.0107104100000000, 0.0409289300000000 ] - [ 0.0037649200000000, 0.0099411600000000, 0.0416250200000000 ] - [ 0.0039535000000000, 0.0102080200000000, 0.0417964000000000 ] - [ -0.0067681800000000, 0.0150301700000000, -0.0389631700000000 ] - [ -0.0038200400000000, 0.0108599700000000, -0.0413982600000000 ] - [ -0.0056908600000000, 0.0024272100000000, -0.0384381100000000 ] - [ -0.0047783100000000, 0.0108164000000000, -0.0421767900000000 ] - [ -0.0039742500000000, -0.0102928000000000, -0.0416634700000000 ] - [ -0.0037737700000000, -0.0105249900000000, -0.0416400400000000 ] - [ -0.0030479700000000, -0.0086627600000000, -0.0391523800000000 ] - [ -0.0034402700000000, -0.0102790700000000, -0.0406330900000000 ] - [ 0.0036087500000000, -0.0093753500000000, 0.0428331300000000 ] - [ 0.0052847600000000, -0.0101546500000000, 0.0412746500000000 ] - [ 0.0038802400000000, -0.0111718200000000, 0.0404074100000000 ] - [ 0.0042366000000000, -0.0106856600000000, 0.0413845000000000 ] - [ -0.0100332500000000, 0.0079595300000000, 0.0182766800000000 ] - [ -0.0051958100000000, -0.0014593600000000, 0.0111492700000000 ] - [ -0.0039887100000000, -0.0017886200000000, 0.0114115600000000 ] - [ -0.0042192700000000, -0.0018664500000000, 0.0109948800000000 ] - [ 0.0039194100000000, -0.0018841800000000, -0.0116230900000000 ] - [ 0.0036093200000000, -0.0018710400000000, -0.0114722100000000 ] - [ 0.0096560000000000, 0.0025280100000000, -0.0127119000000000 ] - [ 0.0042845700000000, -0.0013682600000000, -0.0107643500000000 ] - [ 0.0044045100000000, 0.0017317300000000, -0.0102437800000000 ] - [ 0.0050107300000000, 0.0021663800000000, -0.0101996900000000 ] - [ 0.0028304700000000, -0.0022369500000000, -0.0069896700000000 ] - [ 0.0083417500000000, -0.0016262400000000, -0.0109159500000000 ] - [ -0.0095373500000000, -0.0013298300000000, 0.0138749000000000 ] - [ -0.0097992200000000, 0.0029012500000000, 0.0070466100000000 ] - [ -0.0037826500000000, 0.0019736900000000, 0.0112533300000000 ] - [ -0.0040380100000000, 0.0016848600000000, 0.0114051200000000 ] - [ 0.0001298500000000, 0.0001448900000000, 0.0001770900000000 ] - [ 0.0001265200000000, -0.0006558100000000, 0.0009513000000000 ] - [ 0.0003331500000000, -0.0002098300000000, -0.0001344200000000 ] - [ -0.0002156000000000, 0.0006690000000000, 0.0004811200000000 ] - [ 0.0000615200000000, -0.0000451500000000, -0.0000241500000000 ] - [ -0.0000322400000000, 0.0001145100000000, -0.0000637600000000 ] - [ 0.0014754800000000, -0.0013012600000000, 0.0093505300000000 ] - [ 0.0005461500000000, -0.0001268700000000, -0.0001412900000000 ] - [ -0.0259220200000000, 0.0247537200000000, 0.0160476900000000 ] - [ -0.0272787200000000, 0.0243470900000000, 0.0194187700000000 ] - [ -0.0262372600000000, 0.0256865600000000, 0.0193250700000000 ] - [ -0.0266450900000000, 0.0259817600000000, 0.0191572100000000 ] - [ 0.0262881000000000, 0.0261867300000000, -0.0193151700000000 ] - [ 0.0264645900000000, 0.0250141700000000, -0.0198452400000000 ] - [ 0.0266511500000000, 0.0284514500000000, -0.0188648200000000 ] - [ 0.0268699200000000, 0.0273401300000000, -0.0194187000000000 ] - [ -0.0377057600000000, -0.0541692800000000, 0.0209458200000000 ] - [ -0.0257080200000000, -0.0273193100000000, 0.0188389400000000 ] - [ -0.0281029200000000, -0.0222239600000000, 0.0200744100000000 ] - [ -0.0254822400000000, -0.0243637100000000, 0.0189158300000000 ] - [ 0.0269942100000000, -0.0263118600000000, -0.0189897800000000 ] - [ 0.0262360500000000, -0.0259699200000000, -0.0193038300000000 ] - [ 0.0269522600000000, -0.0226959800000000, -0.0129869200000000 ] - [ 0.0239416000000000, -0.0254963000000000, -0.0166748000000000 ] - [ 0.0050235500000000, -0.0090963400000000, -0.0038555000000000 ] - [ 0.0011839600000000, -0.0024597500000000, 0.0014635900000000 ] - [ 0.0027502500000000, 0.0064608200000000, -0.0021517000000000 ] - [ -0.0012484800000000, 0.0015679300000000, 0.0015880900000000 ] - [ 0.0004992700000000, -0.0000437600000000, 0.0002874100000000 ] - [ 0.0000601300000000, 0.0002607900000000, -0.0001575900000000 ] - [ -0.0500648000000000, 0.0107825300000000, 0.1160108100000000 ] - [ 0.0039047800000000, -0.0013329700000000, 0.0009338700000000 ]- atom: 17 displacement: [ 0.0055843151685910, 0.0000000000000000, -0.0082955062592855 ] forces: - [ -0.0207669500000000, 0.0363454000000000, -0.0048780600000000 ] - [ -0.0202673000000000, 0.0377405300000000, -0.0069757800000000 ] - [ -0.0169013600000000, 0.0299847100000000, -0.0089206700000000 ] - [ -0.0139929700000000, 0.0396091400000000, -0.0018362200000000 ] - [ 0.0232019000000000, 0.0301516500000000, 0.0030959800000000 ] - [ 0.0174963600000000, 0.0348710000000000, 0.0065681000000000 ] - [ 0.0205053100000000, 0.0386237100000000, 0.0067332500000000 ] - [ 0.0203250000000000, 0.0384464500000000, 0.0070696600000000 ] - [ 0.0182210200000000, -0.0305939300000000, 0.0020517100000000 ] - [ 0.0208227400000000, -0.0380146700000000, 0.0066893000000000 ] - [ 0.0204527200000000, -0.0389071500000000, 0.0070403600000000 ] - [ 0.0208333400000000, -0.0378943900000000, 0.0071341600000000 ] - [ -0.0199731300000000, -0.0384700900000000, -0.0069476500000000 ] - [ -0.0203257200000000, -0.0390916600000000, -0.0068920300000000 ] - [ -0.0161238700000000, -0.0303125800000000, -0.0128122600000000 ] - [ -0.0195356600000000, -0.0371557600000000, -0.0063268400000000 ] - [ -0.0689271500000000, 0.0030839900000000, 0.1960394700000000 ] - [ 0.0047050900000000, 0.0104750300000000, 0.0433014300000000 ] - [ 0.0038044400000000, 0.0112575300000000, 0.0426617100000000 ] - [ 0.0036317300000000, 0.0109773200000000, 0.0425016900000000 ] - [ -0.0009150000000000, 0.0062146300000000, -0.0451877000000000 ] - [ -0.0037990100000000, 0.0103039900000000, -0.0428052500000000 ] - [ -0.0019332700000000, 0.0187237000000000, -0.0458249200000000 ] - [ -0.0028175700000000, 0.0103960200000000, -0.0421500800000000 ] - [ -0.0036014200000000, -0.0108972600000000, -0.0426255100000000 ] - [ -0.0038106100000000, -0.0106518900000000, -0.0426493800000000 ] - [ -0.0045585200000000, -0.0125062700000000, -0.0450302100000000 ] - [ -0.0041670600000000, -0.0109009500000000, -0.0435754900000000 ] - [ 0.0039835200000000, -0.0117743800000000, 0.0413705900000000 ] - [ 0.0023639900000000, -0.0110277600000000, 0.0429212400000000 ] - [ 0.0037005400000000, -0.0100032600000000, 0.0438518500000000 ] - [ 0.0033392100000000, -0.0105023900000000, 0.0429333000000000 ] - [ 0.0015979200000000, -0.0114966100000000, 0.0044353500000000 ] - [ -0.0031915100000000, -0.0020828300000000, 0.0115607900000000 ] - [ -0.0043515900000000, -0.0017636000000000, 0.0112942300000000 ] - [ -0.0040106400000000, -0.0017748300000000, 0.0117577800000000 ] - [ 0.0043667900000000, -0.0017132500000000, -0.0111068400000000 ] - [ 0.0046348100000000, -0.0017498100000000, -0.0112732900000000 ] - [ -0.0010765600000000, -0.0058780600000000, -0.0098788700000000 ] - [ 0.0040605100000000, -0.0021750000000000, -0.0119385300000000 ] - [ 0.0039919000000000, 0.0017727300000000, -0.0124255100000000 ] - [ 0.0034144900000000, 0.0013983800000000, -0.0124295100000000 ] - [ 0.0055167000000000, 0.0057681700000000, -0.0157091500000000 ] - [ -0.0000328200000000, 0.0051771700000000, -0.0118312200000000 ] - [ 0.0006746800000000, 0.0045919000000000, 0.0089063100000000 ] - [ 0.0014270900000000, 0.0006311600000000, 0.0156599600000000 ] - [ -0.0044867000000000, 0.0016370000000000, 0.0114766800000000 ] - [ -0.0042027300000000, 0.0019391500000000, 0.0113419000000000 ] - [ -0.0001114000000000, -0.0000636000000000, -0.0001693200000000 ] - [ -0.0001483000000000, 0.0007106300000000, -0.0009308600000000 ] - [ -0.0003002100000000, 0.0001445600000000, 0.0001396600000000 ] - [ 0.0002015000000000, -0.0007350900000000, -0.0004895900000000 ] - [ -0.0000269600000000, 0.0000859900000000, 0.0000173500000000 ] - [ 0.0000134100000000, -0.0000707700000000, 0.0000651800000000 ] - [ -0.0017344100000000, 0.0013476200000000, -0.0099083300000000 ] - [ -0.0005755500000000, 0.0000806500000000, 0.0001486000000000 ] - [ -0.0274370700000000, 0.0268407800000000, 0.0216425900000000 ] - [ -0.0261504500000000, 0.0272317600000000, 0.0182093400000000 ] - [ -0.0271152100000000, 0.0260333600000000, 0.0185261500000000 ] - [ -0.0267370800000000, 0.0257797400000000, 0.0185969800000000 ] - [ 0.0270767600000000, 0.0256322700000000, -0.0184363800000000 ] - [ 0.0269488300000000, 0.0267487800000000, -0.0178505400000000 ] - [ 0.0266611700000000, 0.0231495900000000, -0.0190890000000000 ] - [ 0.0265554000000000, 0.0242530000000000, -0.0184247800000000 ] - [ -0.0157827100000000, 0.0022531700000000, 0.0167606200000000 ] - [ -0.0276885800000000, -0.0242957400000000, 0.0188615000000000 ] - [ -0.0252227100000000, -0.0294871300000000, 0.0178364000000000 ] - [ -0.0279501400000000, -0.0273860000000000, 0.0188773400000000 ] - [ 0.0263520300000000, -0.0252937400000000, -0.0188983300000000 ] - [ 0.0271118000000000, -0.0256016900000000, -0.0185079100000000 ] - [ 0.0273294800000000, -0.0287199200000000, -0.0246982300000000 ] - [ 0.0293667100000000, -0.0262906000000000, -0.0208394500000000 ] - [ -0.0049815100000000, 0.0091055600000000, 0.0037850900000000 ] - [ -0.0011679300000000, 0.0024567200000000, -0.0014248400000000 ] - [ -0.0027434700000000, -0.0065042000000000, 0.0021631500000000 ] - [ 0.0012391800000000, -0.0015712500000000, -0.0015363100000000 ] - [ -0.0005029600000000, -0.0000132900000000, -0.0002652000000000 ] - [ -0.0000581900000000, -0.0002655500000000, 0.0001476300000000 ] - [ 0.0481644300000000, -0.0096946800000000, -0.1097208100000000 ] - [ -0.0038885700000000, 0.0013569900000000, -0.0009535400000000 ]- atom: 33 displacement: [ 0.0099999976460255, 0.0000000000000000, 0.0000068614491578 ] forces: - [ -0.0202373800000000, 0.0430291100000000, -0.0097803600000000 ] - [ -0.0214907900000000, 0.0411779000000000, -0.0057689400000000 ] - [ -0.0202706000000000, 0.0385728700000000, -0.0077157300000000 ] - [ -0.0210272000000000, 0.0388786600000000, -0.0072512600000000 ] - [ 0.0306699500000000, 0.0392215100000000, 0.0118972000000000 ] - [ 0.0317829800000000, 0.0404041700000000, 0.0057039900000000 ] - [ 0.0205086400000000, 0.0405392800000000, 0.0069019200000000 ] - [ 0.0209462900000000, 0.0391382400000000, 0.0070216100000000 ] - [ 0.0206563000000000, -0.0393461700000000, 0.0064436700000000 ] - [ 0.0187046800000000, -0.0452475600000000, 0.0145255700000000 ] - [ 0.0202473400000000, -0.0386679500000000, 0.0074164800000000 ] - [ 0.0201188900000000, -0.0393747100000000, 0.0081437000000000 ] - [ -0.0262393100000000, -0.0410807100000000, -0.0094118100000000 ] - [ -0.0195874700000000, -0.0398444800000000, -0.0080817400000000 ] - [ -0.0219073500000000, -0.0406181500000000, -0.0080017500000000 ] - [ -0.0200894900000000, -0.0390732100000000, -0.0072903900000000 ] - [ 0.0038352300000000, 0.0078097800000000, 0.0350815500000000 ] - [ 0.0046728700000000, 0.0098266600000000, 0.0415232100000000 ] - [ 0.0040518700000000, 0.0107017100000000, 0.0423799600000000 ] - [ 0.0041451900000000, 0.0109312100000000, 0.0422304100000000 ] - [ -0.0081101700000000, 0.0102071200000000, -0.0384864000000000 ] - [ -0.0032019400000000, 0.0106063300000000, -0.0415593200000000 ] - [ -0.0039268700000000, 0.0109157700000000, -0.0425419600000000 ] - [ -0.0031146900000000, 0.0103538800000000, -0.0423257200000000 ] - [ -0.0038651000000000, -0.0103451400000000, -0.0418912900000000 ] - [ -0.0017835000000000, -0.0039719600000000, -0.0398727400000000 ] - [ -0.0039916000000000, -0.0104364700000000, -0.0437494300000000 ] - [ -0.0030593700000000, -0.0138237100000000, -0.0365349500000000 ] - [ 0.0082903800000000, -0.0136107400000000, 0.0387737500000000 ] - [ 0.0104888700000000, -0.0108586200000000, 0.0398404900000000 ] - [ 0.0037594500000000, -0.0104086600000000, 0.0425928200000000 ] - [ 0.0042667100000000, -0.0104908500000000, 0.0425738200000000 ] - [ -0.1390230800000000, 0.0504374600000000, -0.0129843900000000 ] - [ -0.0038320600000000, -0.0011903000000000, 0.0107446000000000 ] - [ -0.0039729800000000, -0.0013779500000000, 0.0113382300000000 ] - [ -0.0042714100000000, -0.0018389600000000, 0.0113599400000000 ] - [ 0.0050324400000000, -0.0012018500000000, -0.0113663200000000 ] - [ 0.0034389600000000, 0.0004243500000000, -0.0093633900000000 ] - [ 0.0050017700000000, -0.0017470600000000, -0.0113342900000000 ] - [ 0.0034822000000000, -0.0014099000000000, -0.0121583000000000 ] - [ 0.0033653500000000, -0.0004580200000000, -0.0086984700000000 ] - [ 0.0157987400000000, 0.0057990700000000, -0.0132943300000000 ] - [ 0.0040372800000000, 0.0022737000000000, -0.0115213300000000 ] - [ 0.0050600600000000, 0.0005383600000000, -0.0114620200000000 ] - [ -0.0040590200000000, -0.0003107600000000, 0.0098574300000000 ] - [ -0.0039587500000000, 0.0019979800000000, 0.0119606100000000 ] - [ -0.0051975300000000, 0.0016775800000000, 0.0111301900000000 ] - [ -0.0046708300000000, 0.0020323400000000, 0.0114685800000000 ] - [ 0.0002693300000000, -0.0000970100000000, -0.0000536300000000 ] - [ -0.0001144500000000, 0.0001128600000000, -0.0001454800000000 ] - [ -0.0000247800000000, -0.0000215600000000, 0.0000032700000000 ] - [ 0.0000191800000000, -0.0000558900000000, -0.0000176100000000 ] - [ -0.0000418500000000, -0.0008800900000000, 0.0004027400000000 ] - [ 0.0004345400000000, -0.0001664700000000, 0.0001888200000000 ] - [ 0.0042111000000000, -0.0040279800000000, -0.0011457200000000 ] - [ -0.0002981100000000, -0.0003658200000000, -0.0000380500000000 ] - [ -0.0164607600000000, 0.0340947600000000, 0.0121033100000000 ] - [ -0.0289035200000000, 0.0272691700000000, 0.0179676900000000 ] - [ -0.0262474600000000, 0.0252585200000000, 0.0180289100000000 ] - [ -0.0276902400000000, 0.0255956500000000, 0.0187759900000000 ] - [ 0.0259378900000000, 0.0264796300000000, -0.0184183500000000 ] - [ 0.0273375700000000, 0.0199387700000000, -0.0228926400000000 ] - [ 0.0266471800000000, 0.0257574900000000, -0.0191162800000000 ] - [ 0.0270195100000000, 0.0266287000000000, -0.0194130100000000 ] - [ -0.0305204800000000, -0.0307824000000000, 0.0365061000000000 ] - [ -0.0253639700000000, -0.0240122300000000, 0.0184913600000000 ] - [ -0.0267895600000000, -0.0255583900000000, 0.0193253500000000 ] - [ -0.0269526300000000, -0.0258644100000000, 0.0190297400000000 ] - [ 0.0262694800000000, -0.0278585200000000, -0.0173526000000000 ] - [ 0.0257686800000000, -0.0267554800000000, -0.0185850200000000 ] - [ 0.0281427400000000, -0.0258198200000000, -0.0188508800000000 ] - [ 0.0256808300000000, -0.0246875400000000, -0.0179753200000000 ] - [ 0.0987638100000000, -0.0406323900000000, 0.0152343200000000 ] - [ -0.0105662400000000, -0.0022112300000000, 0.0009106500000000 ] - [ -0.0001228900000000, -0.0016090900000000, 0.0010862500000000 ] - [ -0.0013888300000000, 0.0003316900000000, -0.0000051100000000 ] - [ 0.0006591300000000, -0.0016663000000000, -0.0002206500000000 ] - [ 0.0015491700000000, -0.0023631700000000, -0.0031271200000000 ] - [ -0.0006434000000000, -0.0000812400000000, 0.0046932800000000 ] - [ 0.0019450700000000, 0.0032886200000000, -0.0038534100000000 ]- atom: 33 displacement: [ -0.0099999976460255, 0.0000000000000000, -0.0000068614491578 ] forces: - [ -0.0205344800000000, 0.0342609900000000, -0.0048158300000000 ] - [ -0.0192547000000000, 0.0360346600000000, -0.0087959700000000 ] - [ -0.0204626300000000, 0.0386462400000000, -0.0068389900000000 ] - [ -0.0197564100000000, 0.0384707600000000, -0.0073589500000000 ] - [ 0.0104653700000000, 0.0381410700000000, 0.0028439800000000 ] - [ 0.0089207200000000, 0.0368595700000000, 0.0088945700000000 ] - [ 0.0202172600000000, 0.0366924000000000, 0.0076415800000000 ] - [ 0.0198075600000000, 0.0381404300000000, 0.0075519300000000 ] - [ 0.0200785300000000, -0.0378742700000000, 0.0081125300000000 ] - [ 0.0220793100000000, -0.0321386300000000, 0.0002045100000000 ] - [ 0.0205076500000000, -0.0386212400000000, 0.0071595300000000 ] - [ 0.0205955800000000, -0.0378302700000000, 0.0064288900000000 ] - [ -0.0145310100000000, -0.0361590400000000, -0.0051315900000000 ] - [ -0.0211859400000000, -0.0374552800000000, -0.0065115500000000 ] - [ -0.0188357000000000, -0.0366933000000000, -0.0065545800000000 ] - [ -0.0206627300000000, -0.0381879000000000, -0.0072870600000000 ] - [ 0.0037695100000000, 0.0133212700000000, 0.0490599300000000 ] - [ 0.0029547300000000, 0.0113359900000000, 0.0426764000000000 ] - [ 0.0035607200000000, 0.0104701800000000, 0.0418346000000000 ] - [ 0.0034199700000000, 0.0102723600000000, 0.0420540600000000 ] - [ 0.0004538200000000, 0.0109265900000000, -0.0456913800000000 ] - [ -0.0044094000000000, 0.0105682800000000, -0.0426498200000000 ] - [ -0.0036662000000000, 0.0102798700000000, -0.0417414000000000 ] - [ -0.0044855000000000, 0.0108275000000000, -0.0418963600000000 ] - [ -0.0037380800000000, -0.0108251700000000, -0.0423172500000000 ] - [ -0.0057868000000000, -0.0171821100000000, -0.0444190600000000 ] - [ -0.0036568700000000, -0.0107566100000000, -0.0405204800000000 ] - [ -0.0045387600000000, -0.0073617700000000, -0.0476536300000000 ] - [ -0.0004508800000000, -0.0076279200000000, 0.0452398100000000 ] - [ -0.0028860500000000, -0.0103484500000000, 0.0443804400000000 ] - [ 0.0038201900000000, -0.0107791900000000, 0.0416878800000000 ] - [ 0.0033447800000000, -0.0106768100000000, 0.0416408200000000 ] - [ 0.1267829100000000, -0.0514490700000000, 0.0349411900000000 ] - [ -0.0045409600000000, -0.0023506300000000, 0.0119446900000000 ] - [ -0.0043268100000000, -0.0021909500000000, 0.0113880100000000 ] - [ -0.0040949600000000, -0.0016985700000000, 0.0113492800000000 ] - [ 0.0033562800000000, -0.0023356500000000, -0.0113496800000000 ] - [ 0.0048468000000000, -0.0040400100000000, -0.0133629800000000 ] - [ 0.0033098300000000, -0.0018247700000000, -0.0113997900000000 ] - [ 0.0049215100000000, -0.0021025300000000, -0.0105349100000000 ] - [ 0.0048930700000000, 0.0041051100000000, -0.0140369000000000 ] - [ -0.0074271400000000, -0.0022788800000000, -0.0093985500000000 ] - [ 0.0042610200000000, 0.0013109500000000, -0.0112098800000000 ] - [ 0.0033144100000000, 0.0030076600000000, -0.0112445100000000 ] - [ -0.0042624400000000, 0.0038722300000000, 0.0128601900000000 ] - [ -0.0044483500000000, 0.0015246300000000, 0.0107262100000000 ] - [ -0.0031837200000000, 0.0018531100000000, 0.0115768300000000 ] - [ -0.0036229200000000, 0.0015619400000000, 0.0112623300000000 ] - [ -0.0002651700000000, 0.0000946400000000, 0.0000404900000000 ] - [ 0.0001202900000000, -0.0001076800000000, 0.0001598200000000 ] - [ 0.0000226900000000, 0.0000167200000000, -0.0000123200000000 ] - [ -0.0000127600000000, 0.0000504500000000, 0.0000258800000000 ] - [ 0.0000259200000000, 0.0008802700000000, -0.0003769200000000 ] - [ -0.0004040700000000, 0.0001540800000000, -0.0002146100000000 ] - [ -0.0043528800000000, 0.0043625500000000, 0.0012060000000000 ] - [ 0.0003058500000000, 0.0003476200000000, 0.0000547300000000 ] - [ -0.0366162100000000, 0.0178952700000000, 0.0252510200000000 ] - [ -0.0244048700000000, 0.0243637800000000, 0.0198372400000000 ] - [ -0.0270756100000000, 0.0264245200000000, 0.0196950000000000 ] - [ -0.0257440500000000, 0.0260946000000000, 0.0189993700000000 ] - [ 0.0274624900000000, 0.0251900800000000, -0.0193841100000000 ] - [ 0.0258593200000000, 0.0314633200000000, -0.0151774800000000 ] - [ 0.0267608100000000, 0.0259630700000000, -0.0186557200000000 ] - [ 0.0263275900000000, 0.0250027300000000, -0.0184125800000000 ] - [ -0.0230420600000000, -0.0210069800000000, 0.0014667300000000 ] - [ -0.0279354300000000, -0.0275366900000000, 0.0193418300000000 ] - [ -0.0266028400000000, -0.0260700300000000, 0.0184739700000000 ] - [ -0.0264097500000000, -0.0258817200000000, 0.0187571600000000 ] - [ 0.0270135700000000, -0.0238686900000000, -0.0203316400000000 ] - [ 0.0276598400000000, -0.0248979900000000, -0.0191958200000000 ] - [ 0.0253551700000000, -0.0258768800000000, -0.0188293400000000 ] - [ 0.0276335600000000, -0.0270010500000000, -0.0198027000000000 ] - [ -0.0953079600000000, 0.0378612000000000, -0.0142177600000000 ] - [ 0.0105935300000000, 0.0022434700000000, -0.0009078900000000 ] - [ 0.0001321200000000, 0.0016337400000000, -0.0010691500000000 ] - [ 0.0013754800000000, -0.0003509100000000, -0.0000004900000000 ] - [ -0.0006537100000000, 0.0016807500000000, 0.0002173800000000 ] - [ -0.0015054100000000, 0.0023642000000000, 0.0031218100000000 ] - [ 0.0006653500000000, 0.0000839000000000, -0.0046474900000000 ] - [ -0.0019129300000000, -0.0032671000000000, 0.0038484600000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0208564200000000, 0.0379687800000000, -0.0070136500000000 ] - [ -0.0205303000000000, 0.0395071700000000, -0.0056553400000000 ] - [ -0.0204872700000000, 0.0389758700000000, -0.0069072500000000 ] - [ -0.0200413500000000, 0.0384253200000000, -0.0068691500000000 ] - [ 0.0290806900000000, 0.0331979800000000, 0.0100559500000000 ] - [ 0.0158103500000000, 0.0355266400000000, 0.0072109000000000 ] - [ 0.0204982700000000, 0.0378766100000000, 0.0071339800000000 ] - [ 0.0201688300000000, 0.0386462300000000, 0.0073001500000000 ] - [ 0.0206476200000000, -0.0389251900000000, 0.0071311700000000 ] - [ 0.0178605600000000, -0.0387724600000000, 0.0041723600000000 ] - [ 0.0205870200000000, -0.0387499000000000, 0.0074378000000000 ] - [ 0.0202172100000000, -0.0380772000000000, 0.0071796900000000 ] - [ -0.0234823900000000, -0.0338005200000000, -0.0070336900000000 ] - [ -0.0197689100000000, -0.0388799100000000, -0.0069874500000000 ] - [ -0.0178834900000000, -0.0262198800000000, -0.0055960200000000 ] - [ -0.0202771100000000, -0.0377824500000000, -0.0071440000000000 ] - [ 0.0011756100000000, 0.0130769100000000, 0.0521463100000000 ] - [ 0.0040742800000000, 0.0112338300000000, 0.0425631900000000 ] - [ 0.0037887800000000, 0.0106909400000000, 0.0421899600000000 ] - [ 0.0036090100000000, 0.0105624700000000, 0.0419728400000000 ] - [ -0.0047330700000000, 0.0096651100000000, -0.0477261800000000 ] - [ -0.0033329500000000, 0.0095652600000000, -0.0423201900000000 ] - [ -0.0035827700000000, 0.0112130500000000, -0.0418838400000000 ] - [ -0.0037978800000000, 0.0107862600000000, -0.0420538500000000 ] - [ -0.0040128600000000, -0.0107825400000000, -0.0423192100000000 ] - [ -0.0037778500000000, -0.0093760700000000, -0.0416178500000000 ] - [ 0.0022962500000000, -0.0092837700000000, -0.0429888900000000 ] - [ -0.0060068200000000, -0.0086113700000000, -0.0476648600000000 ] - [ 0.0028870400000000, -0.0143077600000000, 0.0450145500000000 ] - [ 0.0055841200000000, -0.0128247800000000, 0.0420092800000000 ] - [ 0.0036192500000000, -0.0093003500000000, 0.0418042600000000 ] - [ 0.0038085000000000, -0.0103410300000000, 0.0422809000000000 ] - [ 0.0464184600000000, -0.1050408500000000, 0.0008529900000000 ] - [ -0.0035392200000000, -0.0016548000000000, 0.0108368000000000 ] - [ -0.0037433700000000, -0.0015902400000000, 0.0112902900000000 ] - [ -0.0041962100000000, -0.0022643800000000, 0.0113056600000000 ] - [ 0.0041675100000000, -0.0019294100000000, -0.0114538000000000 ] - [ 0.0037969300000000, -0.0016726100000000, -0.0098966500000000 ] - [ 0.0035817200000000, -0.0019521900000000, -0.0119937000000000 ] - [ 0.0020124200000000, -0.0015910100000000, -0.0137352400000000 ] - [ 0.0019130700000000, -0.0012070300000000, -0.0106562900000000 ] - [ 0.0081433900000000, 0.0025986300000000, -0.0131234100000000 ] - [ 0.0046250900000000, 0.0027196700000000, -0.0112867200000000 ] - [ 0.0028900200000000, 0.0031328400000000, -0.0115308100000000 ] - [ -0.0020576900000000, 0.0023926300000000, 0.0100729700000000 ] - [ -0.0044767100000000, 0.0011125000000000, 0.0116623400000000 ] - [ -0.0041069500000000, 0.0019105600000000, 0.0109496800000000 ] - [ -0.0043743000000000, 0.0014074200000000, 0.0112737000000000 ] - [ 0.0001040700000000, 0.0004026700000000, 0.0000244900000000 ] - [ -0.0000328600000000, 0.0001621000000000, -0.0000335400000000 ] - [ -0.0000032200000000, -0.0002428300000000, 0.0000657800000000 ] - [ 0.0000134500000000, -0.0000812700000000, -0.0000613900000000 ] - [ -0.0002650900000000, -0.0004878200000000, 0.0000768000000000 ] - [ -0.0001293900000000, -0.0000137100000000, -0.0001115900000000 ] - [ -0.0055846300000000, 0.0120262700000000, 0.0018641500000000 ] - [ -0.0005391200000000, -0.0003657400000000, 0.0000715900000000 ] - [ -0.0368426000000000, 0.0233882000000000, 0.0276308400000000 ] - [ -0.0253743600000000, 0.0256358400000000, 0.0192114700000000 ] - [ -0.0260800900000000, 0.0252805200000000, 0.0186944400000000 ] - [ -0.0267231100000000, 0.0254754300000000, 0.0186578600000000 ] - [ 0.0263439000000000, 0.0262065500000000, -0.0184590400000000 ] - [ 0.0437073700000000, 0.0509114300000000, 0.0030358000000000 ] - [ 0.0261222200000000, 0.0253547700000000, -0.0189207000000000 ] - [ 0.0269180400000000, 0.0239212400000000, -0.0183321800000000 ] - [ -0.0232138000000000, -0.0177634000000000, 0.0132353400000000 ] - [ -0.0280299600000000, -0.0247416600000000, 0.0178587800000000 ] - [ -0.0266431500000000, -0.0267196200000000, 0.0188244800000000 ] - [ -0.0264299400000000, -0.0260448200000000, 0.0193096000000000 ] - [ 0.0277551800000000, -0.0258422200000000, -0.0183976000000000 ] - [ 0.0266186800000000, -0.0258584900000000, -0.0187839400000000 ] - [ 0.0243509800000000, -0.0291566900000000, -0.0229136800000000 ] - [ 0.0272929900000000, -0.0261689800000000, -0.0188191100000000 ] - [ -0.0538368800000000, 0.0574305300000000, -0.0145456300000000 ] - [ -0.0017489900000000, 0.0051212000000000, 0.0009042700000000 ] - [ -0.0026469800000000, -0.0046389900000000, -0.0014956700000000 ] - [ 0.0006108900000000, -0.0004538600000000, 0.0003771600000000 ] - [ -0.0001131100000000, 0.0006009000000000, 0.0002566700000000 ] - [ 0.0005186700000000, 0.0003756800000000, -0.0010489600000000 ] - [ -0.0007409600000000, -0.0006159900000000, -0.0015323800000000 ] - [ 0.0004257200000000, -0.0003522300000000, 0.0029661900000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0199001600000000, 0.0393386800000000, -0.0075909300000000 ] - [ -0.0202686400000000, 0.0378369900000000, -0.0089830900000000 ] - [ -0.0202685600000000, 0.0383049000000000, -0.0076847200000000 ] - [ -0.0206969000000000, 0.0388520300000000, -0.0077365400000000 ] - [ 0.0117799900000000, 0.0441242100000000, 0.0045915400000000 ] - [ 0.0249216100000000, 0.0416143000000000, 0.0073497700000000 ] - [ 0.0202171300000000, 0.0392785400000000, 0.0074218500000000 ] - [ 0.0205162200000000, 0.0384816400000000, 0.0072121400000000 ] - [ 0.0200948400000000, -0.0383538000000000, 0.0074553700000000 ] - [ 0.0228817400000000, -0.0384535000000000, 0.0104423400000000 ] - [ 0.0201716300000000, -0.0385370500000000, 0.0071396900000000 ] - [ 0.0205527300000000, -0.0393163900000000, 0.0074469200000000 ] - [ -0.0171545600000000, -0.0439594200000000, -0.0076417100000000 ] - [ -0.0209437600000000, -0.0382414000000000, -0.0075384900000000 ] - [ -0.0227998900000000, -0.0508253200000000, -0.0089228000000000 ] - [ -0.0204206300000000, -0.0393546500000000, -0.0073687700000000 ] - [ 0.0064019000000000, 0.0081094600000000, 0.0321150200000000 ] - [ 0.0035165100000000, 0.0099509000000000, 0.0416424400000000 ] - [ 0.0038093200000000, 0.0104834700000000, 0.0420529600000000 ] - [ 0.0040165300000000, 0.0106048300000000, 0.0421927600000000 ] - [ -0.0028829400000000, 0.0115264900000000, -0.0363215900000000 ] - [ -0.0042418400000000, 0.0116382200000000, -0.0419809000000000 ] - [ -0.0039690400000000, 0.0099749100000000, -0.0424325700000000 ] - [ -0.0037830700000000, 0.0104122300000000, -0.0422764700000000 ] - [ -0.0035670100000000, -0.0104034500000000, -0.0419332600000000 ] - [ -0.0038886000000000, -0.0118063100000000, -0.0425392500000000 ] - [ -0.0098534700000000, -0.0118803800000000, -0.0412777500000000 ] - [ -0.0015794000000000, -0.0125675600000000, -0.0366015700000000 ] - [ 0.0047578600000000, -0.0068227900000000, 0.0391115900000000 ] - [ 0.0019608300000000, -0.0083553800000000, 0.0423229800000000 ] - [ 0.0039604500000000, -0.0119104800000000, 0.0425221400000000 ] - [ 0.0037562200000000, -0.0108502600000000, 0.0420350100000000 ] - [ -0.0554534000000000, 0.1015570300000000, 0.0219302700000000 ] - [ -0.0047085300000000, -0.0019614300000000, 0.0119266300000000 ] - [ -0.0045632200000000, -0.0020052800000000, 0.0114325600000000 ] - [ -0.0040309300000000, -0.0013578700000000, 0.0114543900000000 ] - [ 0.0041936500000000, -0.0016218400000000, -0.0112431700000000 ] - [ 0.0046534500000000, -0.0018210300000000, -0.0128221700000000 ] - [ 0.0047916700000000, -0.0015843700000000, -0.0107066400000000 ] - [ 0.0063266400000000, -0.0019281500000000, -0.0089867800000000 ] - [ 0.0064787400000000, 0.0046601800000000, -0.0120802700000000 ] - [ 0.0000646500000000, 0.0010216700000000, -0.0095760500000000 ] - [ 0.0036705200000000, 0.0008637700000000, -0.0114379800000000 ] - [ 0.0053415100000000, 0.0005133600000000, -0.0112278700000000 ] - [ -0.0062993000000000, 0.0011373200000000, 0.0126122900000000 ] - [ -0.0038835600000000, 0.0024396100000000, 0.0110266600000000 ] - [ -0.0042505600000000, 0.0016230000000000, 0.0117590800000000 ] - [ -0.0040396100000000, 0.0020825300000000, 0.0113978400000000 ] - [ -0.0001116000000000, -0.0004181600000000, 0.0000190300000000 ] - [ 0.0000475600000000, -0.0001782600000000, -0.0000111500000000 ] - [ -0.0000098700000000, 0.0002546200000000, -0.0000515300000000 ] - [ -0.0000012500000000, 0.0000981600000000, 0.0000497800000000 ] - [ 0.0003244200000000, 0.0005239300000000, -0.0001166900000000 ] - [ 0.0000944500000000, 0.0000428400000000, 0.0001370500000000 ] - [ 0.0050999200000000, -0.0112605100000000, -0.0016890200000000 ] - [ 0.0004949500000000, 0.0003480600000000, -0.0000565900000000 ] - [ -0.0164268900000000, 0.0283043500000000, 0.0100402400000000 ] - [ -0.0279953300000000, 0.0260991700000000, 0.0183993500000000 ] - [ -0.0274184400000000, 0.0265493800000000, 0.0190053400000000 ] - [ -0.0265758400000000, 0.0262725700000000, 0.0189386300000000 ] - [ 0.0268985600000000, 0.0254655700000000, -0.0193983900000000 ] - [ 0.0092999000000000, 0.0001450300000000, -0.0416215400000000 ] - [ 0.0272207800000000, 0.0262845400000000, -0.0189768600000000 ] - [ 0.0265138500000000, 0.0277471600000000, -0.0195830500000000 ] - [ -0.0300556700000000, -0.0339460100000000, 0.0247336600000000 ] - [ -0.0254733200000000, -0.0269276100000000, 0.0199844800000000 ] - [ -0.0266921400000000, -0.0249126400000000, 0.0190744100000000 ] - [ -0.0269876600000000, -0.0255267900000000, 0.0186529400000000 ] - [ 0.0256702900000000, -0.0257460200000000, -0.0193317700000000 ] - [ 0.0266926100000000, -0.0258789600000000, -0.0187901000000000 ] - [ 0.0290264200000000, -0.0226247100000000, -0.0148305900000000 ] - [ 0.0260761600000000, -0.0255712800000000, -0.0187925000000000 ] - [ 0.0551606600000000, -0.0575621400000000, 0.0149474100000000 ] - [ 0.0017879200000000, -0.0051570500000000, -0.0009864200000000 ] - [ 0.0026300800000000, 0.0046101600000000, 0.0014779600000000 ] - [ -0.0005987400000000, 0.0004298400000000, -0.0003701600000000 ] - [ 0.0001199600000000, -0.0005919400000000, -0.0002500600000000 ] - [ -0.0005056200000000, -0.0002688700000000, 0.0010791400000000 ] - [ 0.0007304900000000, 0.0006000900000000, 0.0015366600000000 ] - [ -0.0004253800000000, 0.0002833300000000, -0.0029025100000000 ]- atom: 33 displacement: [ -0.0055843151685910, 0.0000000000000000, 0.0082955062592855 ] forces: - [ -0.0207346500000000, 0.0324754800000000, -0.0031672600000000 ] - [ -0.0198277200000000, 0.0385782200000000, -0.0066839100000000 ] - [ -0.0207957600000000, 0.0386789200000000, -0.0062827700000000 ] - [ -0.0202040700000000, 0.0395399600000000, -0.0072948900000000 ] - [ 0.0206480200000000, 0.0379291900000000, 0.0036259200000000 ] - [ 0.0120718600000000, 0.0375297200000000, 0.0070725600000000 ] - [ 0.0203530600000000, 0.0379407300000000, 0.0073903100000000 ] - [ 0.0202163300000000, 0.0382500800000000, 0.0071814300000000 ] - [ 0.0202090800000000, -0.0379793200000000, 0.0089132900000000 ] - [ 0.0245890800000000, -0.0403019400000000, 0.0143960300000000 ] - [ 0.0201889400000000, -0.0386224600000000, 0.0076606200000000 ] - [ 0.0202986700000000, -0.0382553300000000, 0.0073677400000000 ] - [ -0.0183481300000000, -0.0363409000000000, -0.0083809400000000 ] - [ -0.0212314800000000, -0.0381173000000000, -0.0071599600000000 ] - [ -0.0198821100000000, -0.0392990800000000, -0.0082767800000000 ] - [ -0.0205345400000000, -0.0382197400000000, -0.0075118000000000 ] - [ 0.0027275500000000, 0.0169068200000000, 0.0522998200000000 ] - [ 0.0037794900000000, 0.0106180700000000, 0.0425225400000000 ] - [ 0.0037445900000000, 0.0100842500000000, 0.0419889000000000 ] - [ 0.0038078400000000, 0.0104980500000000, 0.0419172100000000 ] - [ 0.0054737900000000, 0.0049136100000000, -0.0410626300000000 ] - [ -0.0048464900000000, 0.0102600200000000, -0.0422009500000000 ] - [ -0.0037423000000000, 0.0108288100000000, -0.0421176900000000 ] - [ -0.0039882800000000, 0.0107659200000000, -0.0420908500000000 ] - [ -0.0042572700000000, -0.0106896800000000, -0.0414391600000000 ] - [ -0.0039567700000000, -0.0085886300000000, -0.0417308300000000 ] - [ -0.0081519900000000, -0.0109724300000000, -0.0398366400000000 ] - [ -0.0027286000000000, -0.0107105600000000, -0.0437052100000000 ] - [ -0.0055398200000000, -0.0052751400000000, 0.0416687700000000 ] - [ 0.0038538100000000, -0.0116199700000000, 0.0415030200000000 ] - [ 0.0038810200000000, -0.0107873200000000, 0.0417596300000000 ] - [ 0.0037087800000000, -0.0106858300000000, 0.0421196600000000 ] - [ 0.0502407800000000, -0.0391016700000000, -0.0286831800000000 ] - [ -0.0049868200000000, -0.0024641000000000, 0.0111439400000000 ] - [ -0.0043757500000000, -0.0020028800000000, 0.0111562000000000 ] - [ -0.0040094200000000, -0.0018738500000000, 0.0113475800000000 ] - [ 0.0037680000000000, -0.0015569100000000, -0.0107056000000000 ] - [ 0.0038171800000000, -0.0010883200000000, -0.0111800700000000 ] - [ 0.0036993200000000, -0.0016884800000000, -0.0107450200000000 ] - [ 0.0062574600000000, -0.0031667000000000, -0.0095798700000000 ] - [ 0.0066779300000000, 0.0037249700000000, -0.0169608900000000 ] - [ -0.0038441600000000, -0.0020576100000000, -0.0124759000000000 ] - [ 0.0041966100000000, 0.0015074700000000, -0.0114904300000000 ] - [ 0.0034799400000000, 0.0024134300000000, -0.0112216500000000 ] - [ -0.0054864700000000, 0.0040356400000000, 0.0141427400000000 ] - [ -0.0038525500000000, 0.0013440100000000, 0.0120928300000000 ] - [ -0.0038272700000000, 0.0021180200000000, 0.0113870700000000 ] - [ -0.0037216300000000, 0.0017674000000000, 0.0118867100000000 ] - [ 0.0004613800000000, -0.0001897800000000, -0.0010691900000000 ] - [ -0.0002299300000000, -0.0000395200000000, -0.0005190100000000 ] - [ 0.0000636500000000, 0.0000707700000000, -0.0000195000000000 ] - [ 0.0000633300000000, -0.0000455600000000, -0.0001072800000000 ] - [ -0.0000095100000000, 0.0004425000000000, 0.0001741100000000 ] - [ -0.0001152000000000, -0.0000682800000000, -0.0000406300000000 ] - [ -0.0039366000000000, 0.0046520900000000, 0.0028260800000000 ] - [ 0.0000550700000000, 0.0000906000000000, 0.0002567400000000 ] - [ -0.0271396500000000, 0.0257640000000000, 0.0258220700000000 ] - [ -0.0259196100000000, 0.0251299100000000, 0.0191424400000000 ] - [ -0.0266952400000000, 0.0254574400000000, 0.0192116600000000 ] - [ -0.0271955500000000, 0.0261973100000000, 0.0184961900000000 ] - [ 0.0286559500000000, 0.0247505600000000, -0.0199540500000000 ] - [ 0.0314321900000000, 0.0343230300000000, -0.0007087600000000 ] - [ 0.0267306700000000, 0.0261934600000000, -0.0190184300000000 ] - [ 0.0266069500000000, 0.0257712500000000, -0.0187992700000000 ] - [ -0.0223068500000000, -0.0201711800000000, 0.0067412900000000 ] - [ -0.0275797100000000, -0.0263621300000000, 0.0188011400000000 ] - [ -0.0263490600000000, -0.0260507300000000, 0.0184990200000000 ] - [ -0.0268258500000000, -0.0260074100000000, 0.0189255100000000 ] - [ 0.0258756200000000, -0.0236752300000000, -0.0190921900000000 ] - [ 0.0273776900000000, -0.0250920000000000, -0.0193497100000000 ] - [ 0.0247830500000000, -0.0271984600000000, -0.0195688600000000 ] - [ 0.0275958000000000, -0.0267790800000000, -0.0201464100000000 ] - [ -0.0508778100000000, 0.0160725600000000, 0.0179053600000000 ] - [ 0.0078892500000000, 0.0022491100000000, 0.0025126700000000 ] - [ 0.0007481300000000, 0.0013066300000000, -0.0000367000000000 ] - [ 0.0006685600000000, -0.0003945900000000, 0.0002743100000000 ] - [ -0.0004274300000000, 0.0017453200000000, -0.0009598700000000 ] - [ 0.0003728300000000, -0.0002301700000000, -0.0007536700000000 ] - [ 0.0023534300000000, -0.0015699900000000, -0.0081437400000000 ] - [ -0.0049406300000000, 0.0024149500000000, -0.0018610000000000 ]- atom: 33 displacement: [ 0.0055843151685910, 0.0000000000000000, -0.0082955062592855 ] forces: - [ -0.0200545600000000, 0.0447533300000000, -0.0113851200000000 ] - [ -0.0209081800000000, 0.0386521300000000, -0.0078645900000000 ] - [ -0.0199603800000000, 0.0386216100000000, -0.0082934200000000 ] - [ -0.0205861700000000, 0.0377724600000000, -0.0072976600000000 ] - [ 0.0199730300000000, 0.0390567500000000, 0.0108843700000000 ] - [ 0.0286229500000000, 0.0397975000000000, 0.0075049200000000 ] - [ 0.0204363100000000, 0.0394161100000000, 0.0072011100000000 ] - [ 0.0204826900000000, 0.0388856800000000, 0.0073556700000000 ] - [ 0.0205639300000000, -0.0392974100000000, 0.0056950600000000 ] - [ 0.0160902000000000, -0.0370224300000000, 0.0001180300000000 ] - [ 0.0205905600000000, -0.0387399700000000, 0.0069405900000000 ] - [ 0.0204274900000000, -0.0389916800000000, 0.0071961100000000 ] - [ -0.0222974200000000, -0.0406191400000000, -0.0060851000000000 ] - [ -0.0195507100000000, -0.0392321100000000, -0.0074387000000000 ] - [ -0.0209050400000000, -0.0380743800000000, -0.0063199500000000 ] - [ -0.0201587500000000, -0.0389137200000000, -0.0070239100000000 ] - [ 0.0048686700000000, 0.0043637600000000, 0.0320266800000000 ] - [ 0.0038119300000000, 0.0105668300000000, 0.0417159100000000 ] - [ 0.0038764300000000, 0.0110660100000000, 0.0421695600000000 ] - [ 0.0037630900000000, 0.0106764300000000, 0.0423634900000000 ] - [ -0.0128821800000000, 0.0162032000000000, -0.0432675800000000 ] - [ -0.0027378000000000, 0.0109063600000000, -0.0420518800000000 ] - [ -0.0038796300000000, 0.0103370400000000, -0.0420444900000000 ] - [ -0.0035733400000000, 0.0104291900000000, -0.0422190500000000 ] - [ -0.0033581800000000, -0.0104883700000000, -0.0427474900000000 ] - [ -0.0036257200000000, -0.0126045000000000, -0.0425540000000000 ] - [ 0.0006081600000000, -0.0101976000000000, -0.0443747700000000 ] - [ -0.0048906700000000, -0.0104527400000000, -0.0405071900000000 ] - [ 0.0135307000000000, -0.0160739100000000, 0.0425766600000000 ] - [ 0.0037475200000000, -0.0095521600000000, 0.0427355400000000 ] - [ 0.0037482000000000, -0.0103763900000000, 0.0424115700000000 ] - [ 0.0038695400000000, -0.0105181500000000, 0.0421936800000000 ] - [ -0.0585930600000000, 0.0353084600000000, 0.0511909500000000 ] - [ -0.0034034000000000, -0.0010510200000000, 0.0115460700000000 ] - [ -0.0040334200000000, -0.0015051300000000, 0.0115303600000000 ] - [ -0.0042302900000000, -0.0017506400000000, 0.0113980000000000 ] - [ 0.0046565100000000, -0.0019662700000000, -0.0119785400000000 ] - [ 0.0044926200000000, -0.0024926500000000, -0.0115342700000000 ] - [ 0.0046698600000000, -0.0018307200000000, -0.0119587600000000 ] - [ 0.0020684800000000, -0.0003478000000000, -0.0131359700000000 ] - [ 0.0015052700000000, -0.0000673900000000, -0.0058140800000000 ] - [ 0.0121616900000000, 0.0055319200000000, -0.0102202900000000 ] - [ 0.0042217700000000, 0.0019971600000000, -0.0111917600000000 ] - [ 0.0047540900000000, 0.0012105700000000, -0.0115312600000000 ] - [ -0.0028859900000000, -0.0004336400000000, 0.0085679800000000 ] - [ -0.0045272400000000, 0.0022168700000000, 0.0105965300000000 ] - [ -0.0045886600000000, 0.0013601900000000, 0.0113103700000000 ] - [ -0.0045955800000000, 0.0017976100000000, 0.0108221300000000 ] - [ -0.0004331500000000, 0.0002037500000000, 0.0010299700000000 ] - [ 0.0002145400000000, 0.0000370000000000, 0.0005693200000000 ] - [ -0.0000409000000000, -0.0000675000000000, 0.0000688200000000 ] - [ -0.0000881100000000, 0.0000388300000000, 0.0000568900000000 ] - [ -0.0000028400000000, -0.0004707700000000, -0.0001409300000000 ] - [ 0.0001111200000000, 0.0000449300000000, 0.0000076200000000 ] - [ 0.0038650600000000, -0.0044552200000000, -0.0028277700000000 ] - [ -0.0000417900000000, -0.0000649700000000, -0.0002680900000000 ] - [ -0.0259223300000000, 0.0264078700000000, 0.0113910300000000 ] - [ -0.0274658300000000, 0.0264645900000000, 0.0185681800000000 ] - [ -0.0265609000000000, 0.0260297300000000, 0.0185119700000000 ] - [ -0.0262795500000000, 0.0256477300000000, 0.0191420100000000 ] - [ 0.0248560000000000, 0.0268693100000000, -0.0179674600000000 ] - [ 0.0216260200000000, 0.0172799800000000, -0.0371687600000000 ] - [ 0.0264669100000000, 0.0254547300000000, -0.0188649200000000 ] - [ 0.0269536500000000, 0.0258723300000000, -0.0189854000000000 ] - [ -0.0313954600000000, -0.0315375800000000, 0.0314635600000000 ] - [ -0.0255825900000000, -0.0252339900000000, 0.0191387800000000 ] - [ -0.0268416500000000, -0.0255356400000000, 0.0194044100000000 ] - [ -0.0267337100000000, -0.0257257100000000, 0.0188283800000000 ] - [ 0.0274269900000000, -0.0282289700000000, -0.0185213600000000 ] - [ 0.0260984100000000, -0.0265102600000000, -0.0183516400000000 ] - [ 0.0285607900000000, -0.0242973900000000, -0.0181439400000000 ] - [ 0.0258046100000000, -0.0250682200000000, -0.0174829300000000 ] - [ 0.0506393200000000, -0.0160786400000000, -0.0176148600000000 ] - [ -0.0078309200000000, -0.0022187000000000, -0.0024914300000000 ] - [ -0.0007685000000000, -0.0012997100000000, 0.0000453900000000 ] - [ -0.0006853600000000, 0.0004018600000000, -0.0002731900000000 ] - [ 0.0004090500000000, -0.0016867800000000, 0.0009517600000000 ] - [ -0.0003423700000000, 0.0002714500000000, 0.0007733900000000 ] - [ -0.0023690600000000, 0.0015520500000000, 0.0080920400000000 ] - [ 0.0050372600000000, -0.0024232900000000, 0.0018476000000000 ]- atom: 49 displacement: [ 0.0099999976460255, 0.0000000000000000, 0.0000068614491578 ] forces: - [ -0.0131346800000000, 0.0371758700000000, -0.0097146300000000 ] - [ -0.0213963500000000, 0.0369415200000000, -0.0072911200000000 ] - [ -0.0206524800000000, 0.0386844900000000, -0.0073990600000000 ] - [ -0.0204980300000000, 0.0384788500000000, -0.0069905800000000 ] - [ 0.0201779600000000, 0.0386024900000000, 0.0070093600000000 ] - [ 0.0207970700000000, 0.0387738800000000, 0.0076207000000000 ] - [ 0.0203544200000000, 0.0385856400000000, 0.0072915300000000 ] - [ 0.0203931000000000, 0.0385959000000000, 0.0072741600000000 ] - [ 0.0193353300000000, -0.0403384300000000, 0.0072674200000000 ] - [ 0.0270963800000000, -0.0396261900000000, 0.0049660300000000 ] - [ 0.0202294100000000, -0.0387250100000000, 0.0075584900000000 ] - [ 0.0200915100000000, -0.0385673000000000, 0.0071581600000000 ] - [ -0.0199774100000000, -0.0385483200000000, -0.0069672800000000 ] - [ -0.0205912300000000, -0.0387155600000000, -0.0075847500000000 ] - [ -0.0203433400000000, -0.0386452000000000, -0.0072879500000000 ] - [ -0.0203836700000000, -0.0386642600000000, -0.0072719100000000 ] - [ 0.0034978500000000, 0.0100797600000000, 0.0419917300000000 ] - [ 0.0033318600000000, 0.0115059000000000, 0.0419982800000000 ] - [ 0.0034416000000000, 0.0111892200000000, 0.0422961300000000 ] - [ 0.0037373900000000, 0.0102398000000000, 0.0418851200000000 ] - [ -0.0046918300000000, 0.0108712200000000, -0.0419842800000000 ] - [ 0.0000896900000000, 0.0114153800000000, -0.0375813300000000 ] - [ -0.0037216000000000, 0.0106105800000000, -0.0422097000000000 ] - [ -0.0038150000000000, 0.0105279300000000, -0.0419937300000000 ] - [ -0.0042505500000000, -0.0096685500000000, -0.0422938100000000 ] - [ -0.0041098400000000, -0.0110810800000000, -0.0422399100000000 ] - [ -0.0038662500000000, -0.0109330300000000, -0.0423486500000000 ] - [ -0.0041453700000000, -0.0099953400000000, -0.0419955100000000 ] - [ 0.0076712000000000, -0.0097524700000000, 0.0466549700000000 ] - [ 0.0029398900000000, -0.0102992500000000, 0.0421970900000000 ] - [ 0.0037734300000000, -0.0106505300000000, 0.0422660600000000 ] - [ 0.0038621300000000, -0.0105699200000000, 0.0420500300000000 ] - [ -0.0039858800000000, -0.0016082800000000, 0.0120473700000000 ] - [ -0.0042537100000000, -0.0018434900000000, 0.0110205900000000 ] - [ -0.0041117700000000, -0.0018279000000000, 0.0114243700000000 ] - [ -0.0042068800000000, -0.0017379900000000, 0.0114430600000000 ] - [ 0.0038636900000000, -0.0012498100000000, -0.0115040100000000 ] - [ 0.0083390700000000, 0.0033727300000000, -0.0131619100000000 ] - [ 0.0046603500000000, -0.0016160600000000, -0.0111942100000000 ] - [ 0.0040916900000000, -0.0015174800000000, -0.0114030600000000 ] - [ 0.0041344700000000, 0.0016848100000000, -0.0116753600000000 ] - [ 0.0044036400000000, 0.0019219800000000, -0.0106529900000000 ] - [ 0.0041054200000000, 0.0018297000000000, -0.0112744100000000 ] - [ 0.0042001300000000, 0.0017424000000000, -0.0112951100000000 ] - [ 0.0000852300000000, 0.0071830600000000, 0.0095008800000000 ] - [ -0.0044310100000000, 0.0023305000000000, 0.0112243500000000 ] - [ -0.0041963900000000, 0.0020704000000000, 0.0113298700000000 ] - [ -0.0036769000000000, 0.0019496700000000, 0.0115235000000000 ] - [ -0.0552547300000000, -0.0072209300000000, 0.0010768000000000 ] - [ 0.0001679700000000, 0.0000020500000000, -0.0000231400000000 ] - [ 0.0000443400000000, -0.0000237600000000, -0.0000359300000000 ] - [ -0.0001554200000000, -0.0000339500000000, 0.0000667700000000 ] - [ 0.0000224000000000, 0.0000065700000000, -0.0000948000000000 ] - [ 0.0000280800000000, 0.0000267700000000, 0.0000491600000000 ] - [ 0.0000207000000000, -0.0000229300000000, -0.0000837100000000 ] - [ 0.0000228700000000, -0.0000029200000000, 0.0000403000000000 ] - [ -0.0296422800000000, 0.0254636000000000, 0.0186898100000000 ] - [ -0.0266993500000000, 0.0260700700000000, 0.0186672000000000 ] - [ -0.0273279900000000, 0.0261209200000000, 0.0187083400000000 ] - [ -0.0267037900000000, 0.0257253900000000, 0.0189095300000000 ] - [ 0.0321676500000000, 0.0247236600000000, -0.0140946400000000 ] - [ 0.0343327000000000, 0.0278532500000000, -0.0264360500000000 ] - [ 0.0269231300000000, 0.0258614200000000, -0.0191974300000000 ] - [ 0.0266908700000000, 0.0257740800000000, -0.0186573500000000 ] - [ -0.0189734400000000, -0.0237993500000000, 0.0111387600000000 ] - [ -0.0212867200000000, -0.0269974500000000, 0.0234945100000000 ] - [ -0.0266852200000000, -0.0259376400000000, 0.0190971900000000 ] - [ -0.0264457500000000, -0.0257923900000000, 0.0185762500000000 ] - [ 0.0266997700000000, -0.0255393400000000, -0.0191632700000000 ] - [ 0.0236855400000000, -0.0260979000000000, -0.0191154400000000 ] - [ 0.0266397900000000, -0.0259902600000000, -0.0188984300000000 ] - [ 0.0260872900000000, -0.0256109300000000, -0.0190816300000000 ] - [ -0.0004867400000000, -0.0004215500000000, 0.0016288800000000 ] - [ -0.0004941700000000, -0.0004294400000000, 0.0016543100000000 ] - [ -0.0000564700000000, -0.0000200900000000, -0.0000481600000000 ] - [ -0.0000544800000000, -0.0000126600000000, -0.0000469000000000 ] - [ 0.0035605800000000, -0.0055513000000000, 0.0005485100000000 ] - [ 0.0026813900000000, 0.0036145000000000, 0.0001925400000000 ] - [ 0.0026612300000000, 0.0036388700000000, 0.0001855600000000 ] - [ 0.0035664900000000, -0.0055585700000000, 0.0005684800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0234058500000000, 0.0418000100000000, -0.0054185000000000 ] - [ -0.0210016500000000, 0.0385612900000000, -0.0074471900000000 ] - [ -0.0205371700000000, 0.0381020800000000, -0.0071922100000000 ] - [ -0.0202714700000000, 0.0391975300000000, -0.0075629600000000 ] - [ 0.0205041800000000, 0.0388499700000000, 0.0074345100000000 ] - [ 0.0204998100000000, 0.0392029600000000, 0.0080779700000000 ] - [ 0.0203399900000000, 0.0383823000000000, 0.0073333900000000 ] - [ 0.0204618900000000, 0.0375933500000000, 0.0067454200000000 ] - [ 0.0196798400000000, -0.0385735300000000, 0.0070887500000000 ] - [ 0.0171186100000000, -0.0354028400000000, 0.0092513200000000 ] - [ 0.0205124200000000, -0.0381436400000000, 0.0070242200000000 ] - [ 0.0201619600000000, -0.0390287500000000, 0.0073316800000000 ] - [ -0.0203588000000000, -0.0383623000000000, -0.0065895400000000 ] - [ -0.0203588600000000, -0.0387157900000000, -0.0072361200000000 ] - [ -0.0201537900000000, -0.0393614300000000, -0.0077251500000000 ] - [ -0.0202748100000000, -0.0385592500000000, -0.0071207100000000 ] - [ 0.0032772000000000, 0.0104162700000000, 0.0421018700000000 ] - [ 0.0048802400000000, 0.0100500300000000, 0.0420601600000000 ] - [ 0.0040952100000000, 0.0102272100000000, 0.0419878700000000 ] - [ 0.0028680900000000, 0.0100462500000000, 0.0422434600000000 ] - [ -0.0040323200000000, 0.0107467100000000, -0.0419776700000000 ] - [ -0.0033665800000000, 0.0125736400000000, -0.0401633500000000 ] - [ -0.0036966300000000, 0.0106375800000000, -0.0423199000000000 ] - [ -0.0037275300000000, 0.0103199100000000, -0.0420287300000000 ] - [ -0.0027519300000000, -0.0111116900000000, -0.0421114500000000 ] - [ -0.0042879600000000, -0.0107826100000000, -0.0422201000000000 ] - [ -0.0047132100000000, -0.0111556800000000, -0.0420942100000000 ] - [ -0.0035317300000000, -0.0109321100000000, -0.0422029100000000 ] - [ 0.0043001000000000, -0.0085970900000000, 0.0437869000000000 ] - [ 0.0036593400000000, -0.0103888800000000, 0.0420516000000000 ] - [ 0.0037901000000000, -0.0108911500000000, 0.0424126300000000 ] - [ 0.0038257700000000, -0.0105814200000000, 0.0421210300000000 ] - [ -0.0044270100000000, -0.0012689100000000, 0.0109760800000000 ] - [ -0.0041277400000000, -0.0015804100000000, 0.0113441000000000 ] - [ -0.0040475500000000, -0.0020994600000000, 0.0114995700000000 ] - [ -0.0041594100000000, -0.0018989900000000, 0.0113120500000000 ] - [ 0.0045677800000000, -0.0021158400000000, -0.0112242000000000 ] - [ 0.0082034400000000, 0.0095448600000000, -0.0139164000000000 ] - [ 0.0041521100000000, -0.0019349500000000, -0.0112340900000000 ] - [ 0.0050832500000000, -0.0022530200000000, -0.0112816700000000 ] - [ 0.0044507800000000, 0.0018050000000000, -0.0112921700000000 ] - [ 0.0041584000000000, 0.0021127300000000, -0.0116555000000000 ] - [ 0.0039672200000000, 0.0018044800000000, -0.0114747800000000 ] - [ 0.0040753300000000, 0.0016048000000000, -0.0112899600000000 ] - [ 0.0004677900000000, 0.0139303300000000, 0.0086683900000000 ] - [ -0.0038447300000000, 0.0013865100000000, 0.0114670000000000 ] - [ -0.0033351000000000, 0.0012632400000000, 0.0114078800000000 ] - [ -0.0040971400000000, 0.0016852400000000, 0.0115120400000000 ] - [ -0.0072828600000000, -0.0609361500000000, -0.0129557200000000 ] - [ 0.0000361500000000, -0.0001427200000000, -0.0000629900000000 ] - [ -0.0000611500000000, 0.0001979200000000, -0.0000347600000000 ] - [ 0.0000277600000000, -0.0000829400000000, 0.0000160900000000 ] - [ 0.0000179300000000, 0.0000910100000000, 0.0000130900000000 ] - [ -0.0000101100000000, 0.0001143900000000, -0.0000269000000000 ] - [ -0.0000012500000000, -0.0000978100000000, -0.0000134800000000 ] - [ -0.0000197700000000, -0.0000837200000000, 0.0000152400000000 ] - [ -0.0275596500000000, 0.0347260500000000, 0.0282332000000000 ] - [ -0.0266334900000000, 0.0259515200000000, 0.0188516600000000 ] - [ -0.0266516000000000, 0.0295098600000000, 0.0165179300000000 ] - [ -0.0266621400000000, 0.0261211100000000, 0.0190573800000000 ] - [ 0.0255892800000000, 0.0242632400000000, -0.0194018800000000 ] - [ 0.0286651300000000, 0.0235008000000000, -0.0200055600000000 ] - [ 0.0268300600000000, 0.0259129800000000, -0.0189172700000000 ] - [ 0.0264847700000000, 0.0259880800000000, -0.0191498900000000 ] - [ -0.0248008700000000, -0.0284016300000000, 0.0174426900000000 ] - [ -0.0278127000000000, -0.0274146100000000, 0.0180995500000000 ] - [ -0.0268365300000000, -0.0255156100000000, 0.0189016800000000 ] - [ -0.0265137000000000, -0.0258151400000000, 0.0190645600000000 ] - [ 0.0265823100000000, -0.0253641100000000, -0.0190672400000000 ] - [ 0.0259231400000000, -0.0166994100000000, -0.0097801800000000 ] - [ 0.0268744100000000, -0.0258857600000000, -0.0186176500000000 ] - [ 0.0266402400000000, -0.0224414000000000, -0.0212300700000000 ] - [ -0.0001250200000000, -0.0009318200000000, 0.0000262000000000 ] - [ -0.0001346300000000, -0.0009288100000000, 0.0000439100000000 ] - [ 0.0001038200000000, 0.0003537200000000, 0.0000022500000000 ] - [ 0.0001012000000000, 0.0003473400000000, -0.0000022600000000 ] - [ -0.0036557500000000, 0.0036445300000000, -0.0000782400000000 ] - [ 0.0049699200000000, 0.0041598300000000, 0.0003435600000000 ] - [ 0.0049845200000000, 0.0041474400000000, 0.0003217000000000 ] - [ -0.0036613000000000, 0.0036073000000000, -0.0000669900000000 ]- atom: 49 displacement: [ -0.0055843151685910, 0.0000000000000000, 0.0082955062592855 ] forces: - [ -0.0249781000000000, 0.0395312800000000, -0.0034447600000000 ] - [ -0.0198276800000000, 0.0391925300000000, -0.0069047900000000 ] - [ -0.0201479000000000, 0.0386862800000000, -0.0071212800000000 ] - [ -0.0202363100000000, 0.0386228400000000, -0.0073302700000000 ] - [ 0.0205667900000000, 0.0388049300000000, 0.0068203500000000 ] - [ 0.0200797500000000, 0.0384316400000000, 0.0058572200000000 ] - [ 0.0202957400000000, 0.0386210900000000, 0.0071978800000000 ] - [ 0.0205687700000000, 0.0382718400000000, 0.0069926000000000 ] - [ 0.0209029600000000, -0.0380192600000000, 0.0076362500000000 ] - [ 0.0154512600000000, -0.0374059900000000, 0.0111370500000000 ] - [ 0.0204839700000000, -0.0385737600000000, 0.0072087800000000 ] - [ 0.0205803300000000, -0.0385316100000000, 0.0074261100000000 ] - [ -0.0206811700000000, -0.0388567500000000, -0.0087324900000000 ] - [ -0.0201833900000000, -0.0384811900000000, -0.0077631000000000 ] - [ -0.0202155200000000, -0.0391003400000000, -0.0076170500000000 ] - [ -0.0204901200000000, -0.0387508800000000, -0.0074084400000000 ] - [ 0.0040545700000000, 0.0111048800000000, 0.0424108400000000 ] - [ 0.0034624200000000, 0.0105705600000000, 0.0427175300000000 ] - [ 0.0040576400000000, 0.0102376400000000, 0.0420646900000000 ] - [ 0.0034837000000000, 0.0105923900000000, 0.0425425100000000 ] - [ -0.0031002100000000, 0.0100029000000000, -0.0420288400000000 ] - [ -0.0001557300000000, 0.0126787100000000, -0.0313914700000000 ] - [ -0.0038186700000000, 0.0106068900000000, -0.0421899600000000 ] - [ -0.0038622200000000, 0.0106079300000000, -0.0420919100000000 ] - [ -0.0041143100000000, -0.0106222000000000, -0.0415976200000000 ] - [ -0.0035334300000000, -0.0100704600000000, -0.0418682500000000 ] - [ -0.0041072400000000, -0.0105889300000000, -0.0417420800000000 ] - [ -0.0035214800000000, -0.0109446400000000, -0.0422483300000000 ] - [ 0.0076814400000000, -0.0084214600000000, 0.0532903700000000 ] - [ 0.0045178100000000, -0.0111808800000000, 0.0421866900000000 ] - [ 0.0037631900000000, -0.0105530800000000, 0.0420569800000000 ] - [ 0.0038076900000000, -0.0105556100000000, 0.0419598900000000 ] - [ -0.0045165000000000, -0.0017247300000000, 0.0098493900000000 ] - [ -0.0040837400000000, -0.0018708500000000, 0.0109400700000000 ] - [ -0.0041002500000000, -0.0017588400000000, 0.0112822600000000 ] - [ -0.0043114900000000, -0.0017480000000000, 0.0111796700000000 ] - [ 0.0042013000000000, -0.0021766300000000, -0.0110914100000000 ] - [ 0.0007525600000000, -0.0063391700000000, -0.0081769600000000 ] - [ 0.0040775300000000, -0.0017679900000000, -0.0113455500000000 ] - [ 0.0045458900000000, -0.0019801700000000, -0.0109731800000000 ] - [ 0.0042597400000000, 0.0016747700000000, -0.0117623400000000 ] - [ 0.0038438600000000, 0.0018211800000000, -0.0128497100000000 ] - [ 0.0040924500000000, 0.0017579600000000, -0.0115038200000000 ] - [ 0.0043055000000000, 0.0017476600000000, -0.0113998400000000 ] - [ -0.0074722800000000, -0.0025872800000000, 0.0145713300000000 ] - [ -0.0040740900000000, 0.0014267100000000, 0.0116503100000000 ] - [ -0.0037301200000000, 0.0016151600000000, 0.0117680800000000 ] - [ -0.0042267700000000, 0.0018108900000000, 0.0113905300000000 ] - [ 0.0317654300000000, -0.0067086800000000, -0.0612985500000000 ] - [ -0.0001015000000000, 0.0000106700000000, -0.0002604100000000 ] - [ -0.0000346700000000, -0.0000459500000000, -0.0000476100000000 ] - [ 0.0001320300000000, -0.0000144800000000, 0.0000033500000000 ] - [ -0.0000769100000000, -0.0000255400000000, 0.0000989800000000 ] - [ 0.0000065200000000, -0.0000002700000000, 0.0000591000000000 ] - [ -0.0000708100000000, 0.0000021100000000, 0.0001014100000000 ] - [ 0.0000107600000000, 0.0000261400000000, 0.0000534300000000 ] - [ -0.0255668500000000, 0.0335049600000000, 0.0224627300000000 ] - [ -0.0267549300000000, 0.0262100400000000, 0.0189329000000000 ] - [ -0.0265082400000000, 0.0239155100000000, 0.0196214500000000 ] - [ -0.0265840400000000, 0.0256262100000000, 0.0190596700000000 ] - [ 0.0274067200000000, 0.0257514100000000, -0.0200097800000000 ] - [ 0.0163311100000000, 0.0235738900000000, -0.0114138700000000 ] - [ 0.0267697600000000, 0.0258564300000000, -0.0186091500000000 ] - [ 0.0264557000000000, 0.0258655200000000, -0.0190423400000000 ] - [ -0.0368551900000000, -0.0280935700000000, 0.0261926400000000 ] - [ -0.0259377900000000, -0.0259860600000000, 0.0176999100000000 ] - [ -0.0269273900000000, -0.0258889100000000, 0.0185755200000000 ] - [ -0.0266112400000000, -0.0258718300000000, 0.0190162500000000 ] - [ 0.0266448200000000, -0.0254844100000000, -0.0189291600000000 ] - [ 0.0277674500000000, -0.0182354200000000, -0.0154068500000000 ] - [ 0.0267657700000000, -0.0259592900000000, -0.0188341600000000 ] - [ 0.0268706100000000, -0.0276648600000000, -0.0182598700000000 ] - [ -0.0002196800000000, 0.0002721600000000, 0.0061961100000000 ] - [ -0.0002579300000000, 0.0002607400000000, 0.0061998100000000 ] - [ 0.0002064700000000, 0.0002433000000000, 0.0002396100000000 ] - [ 0.0002075800000000, 0.0002442400000000, 0.0002389700000000 ] - [ -0.0024699800000000, 0.0037442200000000, -0.0012355400000000 ] - [ -0.0021113100000000, -0.0023289100000000, -0.0008666700000000 ] - [ -0.0021358400000000, -0.0023272800000000, -0.0008596700000000 ] - [ -0.0024645900000000, 0.0037199600000000, -0.0012320600000000 ]- atom: 57 displacement: [ 0.0099999976460255, 0.0000000000000000, 0.0000068614491578 ] forces: - [ -0.0207950100000000, 0.0390963900000000, -0.0065882600000000 ] - [ -0.0207236100000000, 0.0386343000000000, -0.0077445800000000 ] - [ -0.0226989600000000, 0.0392744900000000, -0.0044651500000000 ] - [ -0.0205842100000000, 0.0371103600000000, -0.0084676000000000 ] - [ 0.0256534800000000, 0.0458400800000000, 0.0020347000000000 ] - [ 0.0187312200000000, 0.0378247200000000, 0.0080420600000000 ] - [ 0.0206262400000000, 0.0393751900000000, 0.0072661900000000 ] - [ 0.0202996300000000, 0.0387127800000000, 0.0072685100000000 ] - [ 0.0185072100000000, -0.0398974800000000, 0.0104027100000000 ] - [ 0.0188679800000000, -0.0271084700000000, 0.0018847500000000 ] - [ 0.0196949100000000, -0.0401399300000000, 0.0083295400000000 ] - [ 0.0201427800000000, -0.0380354700000000, 0.0064993400000000 ] - [ -0.0194278500000000, -0.0396839700000000, -0.0080079600000000 ] - [ -0.0211675900000000, -0.0386269900000000, -0.0072761400000000 ] - [ -0.0120110800000000, -0.0376914500000000, -0.0083912600000000 ] - [ -0.0218956800000000, -0.0397964500000000, -0.0078609700000000 ] - [ 0.0037826200000000, 0.0111030200000000, 0.0429534100000000 ] - [ 0.0020521600000000, 0.0113095800000000, 0.0402555500000000 ] - [ 0.0038030400000000, 0.0107053200000000, 0.0426666800000000 ] - [ 0.0037557300000000, 0.0103151000000000, 0.0421729100000000 ] - [ -0.0027954900000000, 0.0106335100000000, -0.0415130900000000 ] - [ -0.0041379300000000, 0.0107729600000000, -0.0420455600000000 ] - [ -0.0027156900000000, 0.0110791700000000, -0.0419846800000000 ] - [ -0.0040317800000000, 0.0110631700000000, -0.0425437300000000 ] - [ -0.0037861300000000, -0.0101115600000000, -0.0417201400000000 ] - [ -0.0041324800000000, -0.0113520300000000, -0.0428866400000000 ] - [ 0.0323493000000000, 0.0048282100000000, -0.0188125500000000 ] - [ -0.0115869000000000, -0.0093379200000000, -0.0506183400000000 ] - [ 0.0134286700000000, -0.0168921300000000, 0.0354610400000000 ] - [ 0.0025478100000000, -0.0104786100000000, 0.0424055200000000 ] - [ 0.0053852400000000, -0.0116984200000000, 0.0415931800000000 ] - [ 0.0025643700000000, -0.0100641300000000, 0.0426967100000000 ] - [ 0.0057698200000000, -0.0120438100000000, 0.0175981500000000 ] - [ -0.0064765100000000, -0.0004801600000000, 0.0106907600000000 ] - [ -0.0036428300000000, -0.0012342300000000, 0.0115324400000000 ] - [ -0.0051869400000000, -0.0017768800000000, 0.0101980300000000 ] - [ 0.0041132600000000, -0.0012178100000000, -0.0111302600000000 ] - [ 0.0045092100000000, -0.0020034800000000, -0.0114398200000000 ] - [ 0.0034916900000000, -0.0014543900000000, -0.0097092000000000 ] - [ 0.0047771300000000, -0.0188904100000000, -0.0049555700000000 ] - [ 0.0037738600000000, 0.0028891600000000, -0.0124864900000000 ] - [ 0.0032965800000000, 0.0016384800000000, -0.0112355700000000 ] - [ 0.0055094600000000, -0.0005850500000000, -0.0127962000000000 ] - [ 0.0031978300000000, 0.0024431900000000, -0.0108991800000000 ] - [ -0.0079069400000000, -0.0017010600000000, 0.0143615800000000 ] - [ -0.0028643800000000, 0.0031079000000000, 0.0108707900000000 ] - [ -0.0042627600000000, 0.0017475300000000, 0.0114779000000000 ] - [ -0.0044444300000000, 0.0015035700000000, 0.0112381500000000 ] - [ -0.0030320100000000, -0.0007091600000000, -0.0006555700000000 ] - [ 0.0000602400000000, -0.0001224300000000, -0.0000496200000000 ] - [ -0.0006725600000000, 0.0000914500000000, -0.0001913400000000 ] - [ 0.0000101800000000, 0.0000173500000000, 0.0000625600000000 ] - [ 0.0000766200000000, 0.0001527800000000, -0.0000254900000000 ] - [ 0.0001781500000000, -0.0000527800000000, 0.0000113600000000 ] - [ 0.0075279900000000, -0.0018735900000000, -0.0074832900000000 ] - [ 0.0055871500000000, 0.0009940700000000, 0.0049162800000000 ] - [ -0.1256143500000000, 0.0363741400000000, 0.0144190800000000 ] - [ -0.0223795800000000, 0.0265170700000000, 0.0187254900000000 ] - [ -0.0273851800000000, 0.0261529800000000, 0.0186110600000000 ] - [ -0.0265111300000000, 0.0259646000000000, 0.0187968700000000 ] - [ 0.0321005100000000, 0.0203400500000000, -0.0189557800000000 ] - [ 0.0311142200000000, 0.0353894800000000, -0.0183251900000000 ] - [ 0.0321373100000000, 0.0340338000000000, -0.0192416000000000 ] - [ 0.0310710700000000, 0.0172414000000000, -0.0180023600000000 ] - [ -0.0239605600000000, -0.0253005200000000, 0.0158281200000000 ] - [ -0.0242683800000000, -0.0259809900000000, 0.0220189300000000 ] - [ -0.0265459100000000, -0.0259047100000000, 0.0185479600000000 ] - [ -0.0262492700000000, -0.0251690800000000, 0.0194136800000000 ] - [ 0.0264190600000000, -0.0256958000000000, -0.0184495500000000 ] - [ 0.0268957000000000, -0.0256190900000000, -0.0188740100000000 ] - [ 0.0228387400000000, -0.0250647700000000, -0.0187705800000000 ] - [ 0.0252948400000000, -0.0244220300000000, -0.0194450000000000 ] - [ -0.0204911700000000, -0.0015060600000000, 0.0053226200000000 ] - [ 0.0026614400000000, -0.0005526500000000, -0.0001694400000000 ] - [ -0.0055934300000000, -0.0060051500000000, -0.0012456800000000 ] - [ 0.0018062700000000, -0.0005063900000000, 0.0006248500000000 ] - [ 0.0003216900000000, -0.0002275300000000, -0.0011861800000000 ] - [ 0.0005296000000000, -0.0005069300000000, 0.0006298800000000 ] - [ 0.0226575900000000, 0.0002287600000000, -0.0333420600000000 ] - [ 0.0200591800000000, -0.0069841700000000, 0.0221623200000000 ]- atom: 57 displacement: [ -0.0099999976460255, 0.0000000000000000, -0.0000068614491578 ] forces: - [ -0.0199609800000000, 0.0381886800000000, -0.0079812500000000 ] - [ -0.0199818700000000, 0.0384673400000000, -0.0067906200000000 ] - [ -0.0180294400000000, 0.0379779400000000, -0.0100919000000000 ] - [ -0.0202289000000000, 0.0402058900000000, -0.0061244500000000 ] - [ 0.0151942000000000, 0.0313947400000000, 0.0125953800000000 ] - [ 0.0220548800000000, 0.0395191600000000, 0.0065510400000000 ] - [ 0.0201035100000000, 0.0378418200000000, 0.0072777400000000 ] - [ 0.0204454700000000, 0.0385514800000000, 0.0073003800000000 ] - [ 0.0222369600000000, -0.0373512800000000, 0.0041981500000000 ] - [ 0.0213647400000000, -0.0504793000000000, 0.0123853700000000 ] - [ 0.0210468000000000, -0.0371575300000000, 0.0062672500000000 ] - [ 0.0205432700000000, -0.0390712300000000, 0.0080350400000000 ] - [ -0.0213321200000000, -0.0376193300000000, -0.0065602400000000 ] - [ -0.0196209800000000, -0.0387157800000000, -0.0073234700000000 ] - [ -0.0287340400000000, -0.0392340200000000, -0.0060659600000000 ] - [ -0.0188811000000000, -0.0374883800000000, -0.0067237100000000 ] - [ 0.0038404400000000, 0.0100916500000000, 0.0412773900000000 ] - [ 0.0055718300000000, 0.0098527400000000, 0.0439293900000000 ] - [ 0.0037993400000000, 0.0104703100000000, 0.0415519000000000 ] - [ 0.0037988100000000, 0.0108976100000000, 0.0421670000000000 ] - [ -0.0047864100000000, 0.0105240500000000, -0.0427202300000000 ] - [ -0.0034759200000000, 0.0104005500000000, -0.0421446700000000 ] - [ -0.0048644100000000, 0.0101151900000000, -0.0422766400000000 ] - [ -0.0035519600000000, 0.0101125300000000, -0.0417154500000000 ] - [ -0.0038196600000000, -0.0110569500000000, -0.0424985700000000 ] - [ -0.0034239500000000, -0.0098491800000000, -0.0414549700000000 ] - [ -0.0373916300000000, -0.0250315900000000, -0.0653690400000000 ] - [ 0.0040437100000000, -0.0118599000000000, -0.0334788800000000 ] - [ -0.0058123400000000, -0.0044134100000000, 0.0488657700000000 ] - [ 0.0050708900000000, -0.0106737100000000, 0.0417754900000000 ] - [ 0.0022327900000000, -0.0094882400000000, 0.0426808400000000 ] - [ 0.0050255200000000, -0.0111246800000000, 0.0415637500000000 ] - [ -0.0143364400000000, 0.0082004500000000, 0.0053889600000000 ] - [ -0.0019745000000000, -0.0029845800000000, 0.0119783900000000 ] - [ -0.0046512200000000, -0.0023279500000000, 0.0112021300000000 ] - [ -0.0031636200000000, -0.0017874000000000, 0.0125092500000000 ] - [ 0.0042486100000000, -0.0023240400000000, -0.0115740700000000 ] - [ 0.0037203200000000, -0.0016269200000000, -0.0113095300000000 ] - [ 0.0048863900000000, -0.0020874400000000, -0.0130206500000000 ] - [ 0.0034318100000000, 0.0156034400000000, -0.0180299300000000 ] - [ 0.0045540800000000, 0.0006619400000000, -0.0102320500000000 ] - [ 0.0051122200000000, 0.0018762600000000, -0.0114560100000000 ] - [ 0.0028279800000000, 0.0041521700000000, -0.0099590100000000 ] - [ 0.0051430300000000, 0.0011011000000000, -0.0118144500000000 ] - [ -0.0003192200000000, 0.0052114100000000, 0.0081999700000000 ] - [ -0.0055662600000000, 0.0004399300000000, 0.0118045700000000 ] - [ -0.0040962800000000, 0.0018034600000000, 0.0112166500000000 ] - [ -0.0037980200000000, 0.0021398000000000, 0.0115119900000000 ] - [ 0.0030375200000000, 0.0007866300000000, 0.0006785700000000 ] - [ -0.0000763800000000, 0.0001501300000000, 0.0000592900000000 ] - [ 0.0006869100000000, -0.0001330200000000, 0.0001867100000000 ] - [ -0.0000214400000000, -0.0000494700000000, -0.0000537200000000 ] - [ -0.0000805400000000, -0.0001230400000000, 0.0000576900000000 ] - [ -0.0001684900000000, 0.0000813600000000, -0.0000466000000000 ] - [ -0.0075960000000000, 0.0018730500000000, 0.0075726700000000 ] - [ -0.0055087200000000, -0.0010076700000000, -0.0048182100000000 ] - [ 0.0703222800000000, 0.0143815600000000, 0.0238521700000000 ] - [ -0.0309726900000000, 0.0250908500000000, 0.0190723000000000 ] - [ -0.0258812600000000, 0.0255525000000000, 0.0192315000000000 ] - [ -0.0269617400000000, 0.0257594800000000, 0.0190291400000000 ] - [ 0.0213547200000000, 0.0312751300000000, -0.0187526800000000 ] - [ 0.0222324400000000, 0.0163516200000000, -0.0193164800000000 ] - [ 0.0213142000000000, 0.0177517200000000, -0.0185652100000000 ] - [ 0.0222769700000000, 0.0344025100000000, -0.0197814100000000 ] - [ -0.0294578200000000, -0.0263878500000000, 0.0218709200000000 ] - [ -0.0290727600000000, -0.0256005400000000, 0.0157025400000000 ] - [ -0.0268470800000000, -0.0257626100000000, 0.0192466400000000 ] - [ -0.0271085700000000, -0.0266271900000000, 0.0183239900000000 ] - [ 0.0268366500000000, -0.0259160100000000, -0.0194076200000000 ] - [ 0.0265814800000000, -0.0259844200000000, -0.0189908100000000 ] - [ 0.0305483500000000, -0.0266806700000000, -0.0189891100000000 ] - [ 0.0280560900000000, -0.0273222000000000, -0.0182794400000000 ] - [ 0.0203686000000000, 0.0017724600000000, -0.0055474100000000 ] - [ -0.0026481100000000, 0.0005299500000000, 0.0001849800000000 ] - [ 0.0054776400000000, 0.0058157500000000, 0.0012133700000000 ] - [ -0.0017930600000000, 0.0005141100000000, -0.0006293100000000 ] - [ -0.0003173600000000, 0.0002470700000000, 0.0011838100000000 ] - [ -0.0005155200000000, 0.0005080700000000, -0.0006284700000000 ] - [ -0.0226435600000000, -0.0002898100000000, 0.0331330200000000 ] - [ -0.0199190500000000, 0.0069917400000000, -0.0223108700000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0194929300000000, 0.0370517800000000, -0.0078221000000000 ] - [ -0.0208709100000000, 0.0375637700000000, -0.0075805000000000 ] - [ -0.0231374700000000, 0.0400146600000000, -0.0054653500000000 ] - [ -0.0190686100000000, 0.0391274800000000, -0.0062873300000000 ] - [ 0.0191320300000000, 0.0377832700000000, 0.0115274700000000 ] - [ 0.0200056800000000, 0.0389049200000000, 0.0072365700000000 ] - [ 0.0213985500000000, 0.0397932600000000, 0.0073510100000000 ] - [ 0.0204100100000000, 0.0386067900000000, 0.0073838100000000 ] - [ 0.0207111200000000, -0.0366938600000000, 0.0076250500000000 ] - [ 0.0141765200000000, -0.0242436400000000, 0.0043253900000000 ] - [ 0.0202076100000000, -0.0394466300000000, 0.0075260800000000 ] - [ 0.0203849900000000, -0.0405087700000000, 0.0076084900000000 ] - [ -0.0204108800000000, -0.0398854200000000, -0.0047648500000000 ] - [ -0.0200388100000000, -0.0387992800000000, -0.0068380800000000 ] - [ -0.0307219700000000, -0.0373526400000000, -0.0033159500000000 ] - [ -0.0210873900000000, -0.0386852600000000, -0.0077467700000000 ] - [ 0.0050404200000000, 0.0119419500000000, 0.0417855800000000 ] - [ 0.0055628100000000, 0.0124590300000000, 0.0415904500000000 ] - [ 0.0035224400000000, 0.0101807100000000, 0.0416266500000000 ] - [ 0.0036842800000000, 0.0102268900000000, 0.0421679600000000 ] - [ -0.0021016200000000, 0.0100885900000000, -0.0441811300000000 ] - [ -0.0031587400000000, 0.0104979700000000, -0.0435468600000000 ] - [ -0.0050427800000000, 0.0093334300000000, -0.0432440400000000 ] - [ -0.0036425200000000, 0.0100387300000000, -0.0409481700000000 ] - [ -0.0039155100000000, -0.0117461100000000, -0.0428584200000000 ] - [ -0.0040520800000000, -0.0115120000000000, -0.0425979200000000 ] - [ 0.0035129100000000, -0.0007670000000000, -0.0337026200000000 ] - [ -0.0012122700000000, -0.0070313000000000, -0.0398535500000000 ] - [ -0.0114446300000000, 0.0170586200000000, 0.0654978600000000 ] - [ 0.0023532600000000, -0.0101229900000000, 0.0429399200000000 ] - [ 0.0033514900000000, -0.0161054800000000, 0.0373863200000000 ] - [ 0.0051779700000000, -0.0112487400000000, 0.0412412700000000 ] - [ 0.0038572600000000, -0.0044204100000000, 0.0164397200000000 ] - [ -0.0027302800000000, -0.0020222800000000, 0.0116690300000000 ] - [ -0.0048258700000000, -0.0023286300000000, 0.0106860200000000 ] - [ -0.0044741200000000, -0.0021145100000000, 0.0113754000000000 ] - [ 0.0042403200000000, -0.0022890300000000, -0.0117354600000000 ] - [ 0.0033301800000000, -0.0036063700000000, -0.0119274700000000 ] - [ 0.0035127400000000, -0.0014016700000000, -0.0105173800000000 ] - [ 0.0096428700000000, 0.0237880500000000, -0.0180421700000000 ] - [ 0.0021314300000000, 0.0017666500000000, -0.0099087100000000 ] - [ 0.0032516400000000, 0.0017823000000000, -0.0112937000000000 ] - [ 0.0042681000000000, -0.0015294800000000, -0.0131328300000000 ] - [ 0.0053896800000000, 0.0014247000000000, -0.0114590600000000 ] - [ 0.0008399300000000, 0.0098802700000000, 0.0076780900000000 ] - [ -0.0059659400000000, 0.0027637500000000, 0.0109278500000000 ] - [ -0.0044149000000000, 0.0008858300000000, 0.0115172000000000 ] - [ -0.0040888900000000, 0.0016586800000000, 0.0114583200000000 ] - [ -0.0002469600000000, 0.0090665500000000, 0.0091324700000000 ] - [ 0.0001695800000000, 0.0002781000000000, 0.0003501200000000 ] - [ 0.0001912900000000, 0.0034395200000000, -0.0023434100000000 ] - [ -0.0000424400000000, 0.0001525400000000, -0.0000198400000000 ] - [ 0.0000398400000000, 0.0001150800000000, -0.0000255000000000 ] - [ -0.0000717500000000, -0.0001111500000000, -0.0000718700000000 ] - [ -0.0019603700000000, -0.0023106800000000, 0.0014321800000000 ] - [ 0.0011504400000000, -0.0014478200000000, 0.0009568800000000 ] - [ -0.0155359500000000, -0.0958401800000000, 0.0220383000000000 ] - [ -0.0259790000000000, 0.0247374700000000, 0.0185419000000000 ] - [ -0.0264297200000000, 0.0280329200000000, 0.0195070900000000 ] - [ -0.0265950400000000, 0.0261983200000000, 0.0188690400000000 ] - [ 0.0186031500000000, 0.0301383500000000, -0.0194008400000000 ] - [ 0.0351997500000000, 0.0344678600000000, -0.0192840100000000 ] - [ 0.0322179800000000, 0.0301362200000000, -0.0188291100000000 ] - [ 0.0170395600000000, 0.0345264700000000, -0.0179204100000000 ] - [ -0.0272266500000000, -0.0239406400000000, 0.0186051600000000 ] - [ -0.0265160500000000, -0.0241083000000000, 0.0198325500000000 ] - [ -0.0266443900000000, -0.0249372300000000, 0.0185747000000000 ] - [ -0.0273438700000000, -0.0247316900000000, 0.0180569700000000 ] - [ 0.0267614800000000, -0.0275733900000000, -0.0192960300000000 ] - [ 0.0268818700000000, -0.0253528200000000, -0.0184601600000000 ] - [ 0.0275558900000000, -0.0293913200000000, -0.0160566500000000 ] - [ 0.0281525800000000, -0.0286579500000000, -0.0229157900000000 ] - [ 0.0008501200000000, 0.0228772200000000, -0.0371517300000000 ] - [ -0.0000478400000000, 0.0004608700000000, 0.0003357800000000 ] - [ 0.0047469000000000, 0.0229978400000000, 0.0133852700000000 ] - [ -0.0001609700000000, 0.0005106200000000, -0.0000717500000000 ] - [ 0.0001386500000000, 0.0021957900000000, 0.0006712300000000 ] - [ 0.0007213300000000, 0.0021558000000000, 0.0007977300000000 ] - [ 0.0027126300000000, -0.0100550700000000, -0.0130529700000000 ] - [ -0.0115291200000000, -0.0247898700000000, -0.0039884300000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0212652800000000, 0.0402026800000000, -0.0067310100000000 ] - [ -0.0198829500000000, 0.0396860200000000, -0.0069813500000000 ] - [ -0.0176660100000000, 0.0373666200000000, -0.0091406700000000 ] - [ -0.0216944700000000, 0.0380684100000000, -0.0082795600000000 ] - [ 0.0216380300000000, 0.0392256300000000, 0.0031536700000000 ] - [ 0.0207175900000000, 0.0383163000000000, 0.0073314000000000 ] - [ 0.0193590300000000, 0.0375407800000000, 0.0072451500000000 ] - [ 0.0203273700000000, 0.0386318200000000, 0.0071803600000000 ] - [ 0.0200721400000000, -0.0406836200000000, 0.0069792500000000 ] - [ 0.0263813600000000, -0.0530609000000000, 0.0101117000000000 ] - [ 0.0205226300000000, -0.0378036200000000, 0.0070413100000000 ] - [ 0.0203719900000000, -0.0367703600000000, 0.0069766000000000 ] - [ -0.0203165900000000, -0.0372674100000000, -0.0098296400000000 ] - [ -0.0206992300000000, -0.0384171100000000, -0.0077196400000000 ] - [ -0.0104824500000000, -0.0390372000000000, -0.0104828100000000 ] - [ -0.0196550900000000, -0.0385526500000000, -0.0068282200000000 ] - [ 0.0025754200000000, 0.0092449300000000, 0.0424084900000000 ] - [ 0.0020387200000000, 0.0087361200000000, 0.0426555700000000 ] - [ 0.0040671400000000, 0.0109888300000000, 0.0426263400000000 ] - [ 0.0039126400000000, 0.0109499100000000, 0.0420734900000000 ] - [ -0.0054861700000000, 0.0110931000000000, -0.0400655900000000 ] - [ -0.0044243300000000, 0.0106900200000000, -0.0406818000000000 ] - [ -0.0025897400000000, 0.0118405200000000, -0.0409457100000000 ] - [ -0.0039669400000000, 0.0111413800000000, -0.0432867600000000 ] - [ -0.0036763200000000, -0.0094263000000000, -0.0413751300000000 ] - [ -0.0035348500000000, -0.0096664100000000, -0.0416466600000000 ] - [ -0.0107492500000000, -0.0203426600000000, -0.0506404700000000 ] - [ -0.0064096500000000, -0.0141321400000000, -0.0444238400000000 ] - [ 0.0199128000000000, -0.0402059600000000, 0.0186426200000000 ] - [ 0.0052460700000000, -0.0110430600000000, 0.0413134300000000 ] - [ 0.0042644600000000, -0.0051665900000000, 0.0467199600000000 ] - [ 0.0024287500000000, -0.0099418400000000, 0.0429964500000000 ] - [ -0.0124093000000000, 0.0005952800000000, 0.0064798700000000 ] - [ -0.0055920500000000, -0.0015574100000000, 0.0110315300000000 ] - [ -0.0035711600000000, -0.0011690700000000, 0.0120051300000000 ] - [ -0.0038524400000000, -0.0014518800000000, 0.0113342200000000 ] - [ 0.0040731300000000, -0.0012616800000000, -0.0109715100000000 ] - [ 0.0050167700000000, 0.0000775800000000, -0.0107806800000000 ] - [ 0.0048962400000000, -0.0020971000000000, -0.0121967000000000 ] - [ -0.0018897500000000, -0.0268290900000000, -0.0054323400000000 ] - [ 0.0061923100000000, 0.0018239600000000, -0.0128230600000000 ] - [ 0.0050637300000000, 0.0017887000000000, -0.0114377900000000 ] - [ 0.0041232300000000, 0.0050506900000000, -0.0095782800000000 ] - [ 0.0029556900000000, 0.0021330500000000, -0.0112685600000000 ] - [ -0.0090648200000000, -0.0064378800000000, 0.0148225400000000 ] - [ -0.0023321500000000, 0.0008424200000000, 0.0118096400000000 ] - [ -0.0039087100000000, 0.0026853900000000, 0.0111981100000000 ] - [ -0.0042388600000000, 0.0019078900000000, 0.0112623800000000 ] - [ 0.0002769800000000, -0.0091332800000000, -0.0093032800000000 ] - [ -0.0001930300000000, -0.0002612800000000, -0.0003454500000000 ] - [ -0.0001629600000000, -0.0034137500000000, 0.0023124200000000 ] - [ 0.0000203800000000, -0.0001766600000000, 0.0000074200000000 ] - [ -0.0000385400000000, -0.0001382200000000, 0.0000198800000000 ] - [ 0.0000628000000000, 0.0000901500000000, 0.0000824200000000 ] - [ 0.0020053700000000, 0.0023043000000000, -0.0014476400000000 ] - [ -0.0011849000000000, 0.0014640800000000, -0.0010087500000000 ] - [ -0.0375160700000000, 0.1487332300000000, 0.0155619700000000 ] - [ -0.0275143500000000, 0.0269780600000000, 0.0191442700000000 ] - [ -0.0269653300000000, 0.0235587100000000, 0.0183122100000000 ] - [ -0.0267521300000000, 0.0254672200000000, 0.0189047300000000 ] - [ 0.0349206300000000, 0.0215754000000000, -0.0184243000000000 ] - [ 0.0179908900000000, 0.0170879900000000, -0.0184893500000000 ] - [ 0.0211707800000000, 0.0214173400000000, -0.0190031200000000 ] - [ 0.0362437400000000, 0.0172788600000000, -0.0197667900000000 ] - [ -0.0261606200000000, -0.0276069100000000, 0.0192761200000000 ] - [ -0.0268369600000000, -0.0275736000000000, 0.0179491800000000 ] - [ -0.0266912200000000, -0.0268269800000000, 0.0192024000000000 ] - [ -0.0260684600000000, -0.0269336100000000, 0.0196705600000000 ] - [ 0.0266406200000000, -0.0241609400000000, -0.0184695800000000 ] - [ 0.0264635500000000, -0.0263287900000000, -0.0193212700000000 ] - [ 0.0257245200000000, -0.0222494600000000, -0.0217167300000000 ] - [ 0.0253603200000000, -0.0230802400000000, -0.0147627000000000 ] - [ -0.0009104800000000, -0.0227959100000000, 0.0374970400000000 ] - [ 0.0000561600000000, -0.0004596100000000, -0.0003398000000000 ] - [ -0.0047722400000000, -0.0230246300000000, -0.0132944800000000 ] - [ 0.0001639500000000, -0.0005272400000000, 0.0000949100000000 ] - [ -0.0001152100000000, -0.0022140600000000, -0.0006854200000000 ] - [ -0.0007358000000000, -0.0021691700000000, -0.0008135200000000 ] - [ -0.0029069200000000, 0.0099863200000000, 0.0132468100000000 ] - [ 0.0116258500000000, 0.0248265900000000, 0.0040584400000000 ]- atom: 57 displacement: [ -0.0055843151685910, 0.0000000000000000, 0.0082955062592855 ] forces: - [ -0.0197426000000000, 0.0376294700000000, -0.0076108400000000 ] - [ -0.0203589200000000, 0.0388338600000000, -0.0069565200000000 ] - [ -0.0165405900000000, 0.0377478800000000, -0.0090490000000000 ] - [ -0.0216831100000000, 0.0378140800000000, -0.0064400600000000 ] - [ 0.0177705100000000, 0.0485401300000000, 0.0068446400000000 ] - [ 0.0216122200000000, 0.0384796300000000, 0.0056898200000000 ] - [ 0.0205587800000000, 0.0384924600000000, 0.0076489100000000 ] - [ 0.0203313500000000, 0.0385263500000000, 0.0071854400000000 ] - [ 0.0227776700000000, -0.0370540700000000, 0.0056548200000000 ] - [ 0.0174678400000000, -0.0358003400000000, 0.0151656500000000 ] - [ 0.0209928500000000, -0.0380155800000000, 0.0065636100000000 ] - [ 0.0203047300000000, -0.0388437000000000, 0.0072902300000000 ] - [ -0.0219796200000000, -0.0390933500000000, -0.0083130800000000 ] - [ -0.0195862100000000, -0.0385877100000000, -0.0074658100000000 ] - [ -0.0311466700000000, -0.0391622700000000, 0.0046055600000000 ] - [ -0.0197405400000000, -0.0379032300000000, -0.0073220700000000 ] - [ 0.0062700400000000, 0.0107972200000000, 0.0404655400000000 ] - [ 0.0024696400000000, 0.0099021600000000, 0.0421477100000000 ] - [ 0.0036541500000000, 0.0103506400000000, 0.0421934700000000 ] - [ 0.0040325700000000, 0.0104888300000000, 0.0425356100000000 ] - [ -0.0040970500000000, 0.0122624400000000, -0.0421140500000000 ] - [ -0.0040691900000000, 0.0101402500000000, -0.0429000800000000 ] - [ -0.0039828600000000, 0.0093276100000000, -0.0424124000000000 ] - [ -0.0036645300000000, 0.0110922800000000, -0.0428984900000000 ] - [ -0.0039945300000000, -0.0108491800000000, -0.0425561700000000 ] - [ -0.0038683800000000, -0.0103756500000000, -0.0422651800000000 ] - [ -0.0259866500000000, -0.0206530700000000, -0.0514262000000000 ] - [ 0.0000093700000000, -0.0113031900000000, -0.0356008400000000 ] - [ 0.0006397400000000, -0.0071519200000000, 0.0495281900000000 ] - [ 0.0043683500000000, -0.0107603900000000, 0.0418715900000000 ] - [ 0.0023633100000000, -0.0107120200000000, 0.0431608500000000 ] - [ 0.0045874200000000, -0.0108928400000000, 0.0418187200000000 ] - [ -0.0154720600000000, 0.0110804700000000, 0.0117316000000000 ] - [ -0.0036712300000000, -0.0021398800000000, 0.0114470300000000 ] - [ -0.0050787800000000, -0.0022928800000000, 0.0111058800000000 ] - [ -0.0036754200000000, -0.0019309900000000, 0.0116074000000000 ] - [ 0.0040410300000000, -0.0020642900000000, -0.0116563600000000 ] - [ 0.0035867000000000, -0.0021672900000000, -0.0114886600000000 ] - [ 0.0049904400000000, -0.0023388800000000, -0.0130620000000000 ] - [ 0.0004058300000000, -0.0106545000000000, 0.0009630900000000 ] - [ 0.0056375000000000, 0.0015734200000000, -0.0101430600000000 ] - [ 0.0049139300000000, 0.0018758400000000, -0.0116768900000000 ] - [ 0.0033651000000000, -0.0002429600000000, -0.0112969700000000 ] - [ 0.0054706200000000, 0.0013930600000000, -0.0124568800000000 ] - [ 0.0125389700000000, 0.0083763700000000, 0.0068556300000000 ] - [ -0.0052540300000000, 0.0019836300000000, 0.0112044600000000 ] - [ -0.0037934200000000, 0.0018707500000000, 0.0110338700000000 ] - [ -0.0039383100000000, 0.0016113800000000, 0.0115835100000000 ] - [ 0.0014881400000000, 0.0079522500000000, 0.0037554200000000 ] - [ -0.0001798700000000, -0.0001109900000000, 0.0000396000000000 ] - [ 0.0001972600000000, -0.0018906800000000, 0.0006491900000000 ] - [ -0.0000326700000000, 0.0002251600000000, 0.0000109600000000 ] - [ 0.0001174100000000, 0.0000049200000000, -0.0000287200000000 ] - [ -0.0003075100000000, 0.0000875200000000, -0.0000100600000000 ] - [ -0.0107423100000000, 0.0020364200000000, 0.0073118300000000 ] - [ 0.0008407000000000, -0.0000151100000000, -0.0012280200000000 ] - [ 0.0240085800000000, 0.0219594900000000, -0.0497877700000000 ] - [ -0.0292716300000000, 0.0251457500000000, 0.0196018400000000 ] - [ -0.0264796100000000, 0.0262205800000000, 0.0201416900000000 ] - [ -0.0269108800000000, 0.0257392800000000, 0.0191199600000000 ] - [ 0.0234178100000000, 0.0288748300000000, -0.0190925200000000 ] - [ 0.0249948100000000, 0.0197238300000000, -0.0216427900000000 ] - [ 0.0236134300000000, 0.0217094300000000, -0.0190022900000000 ] - [ 0.0246103000000000, 0.0310123300000000, -0.0218835000000000 ] - [ -0.0307369600000000, -0.0259224500000000, 0.0232431900000000 ] - [ -0.0254026500000000, -0.0265403600000000, 0.0181471700000000 ] - [ -0.0271136100000000, -0.0255667300000000, 0.0193488200000000 ] - [ -0.0264793700000000, -0.0255578700000000, 0.0183287000000000 ] - [ 0.0271777300000000, -0.0262077200000000, -0.0200494300000000 ] - [ 0.0266394300000000, -0.0255511500000000, -0.0188434800000000 ] - [ 0.0288904400000000, -0.0239782300000000, -0.0122387200000000 ] - [ 0.0269771500000000, -0.0299522700000000, -0.0083423700000000 ] - [ 0.0131395700000000, -0.0243854200000000, 0.0007841800000000 ] - [ -0.0013145600000000, 0.0005311800000000, 0.0011783400000000 ] - [ 0.0060882800000000, 0.0172132500000000, 0.0046855100000000 ] - [ -0.0011894900000000, 0.0003924800000000, 0.0008750100000000 ] - [ -0.0004279700000000, 0.0009057900000000, 0.0007709800000000 ] - [ -0.0002521700000000, 0.0008548500000000, -0.0001093100000000 ] - [ -0.0306619800000000, -0.0064763400000000, 0.0194946700000000 ] - [ 0.0114662200000000, 0.0023659300000000, -0.0060192800000000 ]- atom: 57 displacement: [ 0.0055843151685910, 0.0000000000000000, -0.0082955062592855 ] forces: - [ -0.0210118300000000, 0.0396578100000000, -0.0069692400000000 ] - [ -0.0203641900000000, 0.0383418300000000, -0.0075860800000000 ] - [ -0.0242684400000000, 0.0395887400000000, -0.0055644900000000 ] - [ -0.0191008200000000, 0.0393982600000000, -0.0081367000000000 ] - [ 0.0229632800000000, 0.0287376900000000, 0.0078374400000000 ] - [ 0.0191653500000000, 0.0388125600000000, 0.0088907700000000 ] - [ 0.0201802600000000, 0.0387752500000000, 0.0069356900000000 ] - [ 0.0204057800000000, 0.0387251600000000, 0.0073799800000000 ] - [ 0.0179906800000000, -0.0402964600000000, 0.0089510200000000 ] - [ 0.0230289300000000, -0.0414061200000000, -0.0007036800000000 ] - [ 0.0197491300000000, -0.0392489300000000, 0.0080138300000000 ] - [ 0.0204031600000000, -0.0383428700000000, 0.0072448000000000 ] - [ -0.0187945500000000, -0.0381871100000000, -0.0062569500000000 ] - [ -0.0211560700000000, -0.0386940000000000, -0.0071081300000000 ] - [ -0.0097598300000000, -0.0372851200000000, -0.0186413400000000 ] - [ -0.0209798000000000, -0.0393509000000000, -0.0072344900000000 ] - [ 0.0013703900000000, 0.0103717500000000, 0.0436366300000000 ] - [ 0.0051543400000000, 0.0112720400000000, 0.0420572600000000 ] - [ 0.0039288400000000, 0.0108329900000000, 0.0420356100000000 ] - [ 0.0035590800000000, 0.0107032000000000, 0.0417536900000000 ] - [ -0.0034921900000000, 0.0089363400000000, -0.0421606300000000 ] - [ -0.0035270500000000, 0.0110385500000000, -0.0413238000000000 ] - [ -0.0036171000000000, 0.0118443500000000, -0.0418149600000000 ] - [ -0.0039126700000000, 0.0100698000000000, -0.0413436000000000 ] - [ -0.0036057500000000, -0.0103267000000000, -0.0416873700000000 ] - [ -0.0037362200000000, -0.0108136800000000, -0.0420294300000000 ] - [ 0.0194465100000000, -0.0001002100000000, -0.0326096400000000 ] - [ -0.0075611700000000, -0.0098908300000000, -0.0485577300000000 ] - [ 0.0069951000000000, -0.0141921300000000, 0.0349079300000000 ] - [ 0.0032397200000000, -0.0104180300000000, 0.0423552900000000 ] - [ 0.0052316800000000, -0.0104642900000000, 0.0410909900000000 ] - [ 0.0030224100000000, -0.0102832300000000, 0.0424379700000000 ] - [ 0.0067367200000000, -0.0149077700000000, 0.0113843800000000 ] - [ -0.0046840300000000, -0.0013924400000000, 0.0112605700000000 ] - [ -0.0032495900000000, -0.0012688800000000, 0.0116083500000000 ] - [ -0.0046390100000000, -0.0016320400000000, 0.0111106800000000 ] - [ 0.0043099700000000, -0.0014704400000000, -0.0110500600000000 ] - [ 0.0046937900000000, -0.0014306300000000, -0.0112544600000000 ] - [ 0.0034548600000000, -0.0011613900000000, -0.0096394000000000 ] - [ 0.0075983800000000, 0.0071157800000000, -0.0238099200000000 ] - [ 0.0026945100000000, 0.0019898700000000, -0.0125464100000000 ] - [ 0.0034498300000000, 0.0016739700000000, -0.0110333000000000 ] - [ 0.0049689800000000, 0.0038041900000000, -0.0114050100000000 ] - [ 0.0028776900000000, 0.0021483900000000, -0.0102553200000000 ] - [ -0.0208148000000000, -0.0050526300000000, 0.0153263700000000 ] - [ -0.0030792200000000, 0.0016340500000000, 0.0114985300000000 ] - [ -0.0045650700000000, 0.0016772100000000, 0.0116570900000000 ] - [ -0.0043416800000000, 0.0019913600000000, 0.0111616800000000 ] - [ -0.0015078000000000, -0.0079861800000000, -0.0037520100000000 ] - [ 0.0001544700000000, 0.0001309100000000, -0.0000231400000000 ] - [ -0.0001720800000000, 0.0018760400000000, -0.0006519600000000 ] - [ 0.0000140200000000, -0.0002522600000000, -0.0000042700000000 ] - [ -0.0001200100000000, 0.0000077500000000, 0.0000448500000000 ] - [ 0.0003129600000000, -0.0000727400000000, -0.0000093000000000 ] - [ 0.0105453200000000, -0.0020109600000000, -0.0071949300000000 ] - [ -0.0008564900000000, -0.0000001000000000, 0.0011987800000000 ] - [ -0.0777248500000000, 0.0289694100000000, 0.0870229800000000 ] - [ -0.0241668000000000, 0.0265155900000000, 0.0181550100000000 ] - [ -0.0268188600000000, 0.0254819800000000, 0.0176802300000000 ] - [ -0.0265334900000000, 0.0259683200000000, 0.0186817900000000 ] - [ 0.0299709100000000, 0.0228237700000000, -0.0186587900000000 ] - [ 0.0283892000000000, 0.0320073400000000, -0.0161045300000000 ] - [ 0.0297703600000000, 0.0299035600000000, -0.0188156500000000 ] - [ 0.0287375700000000, 0.0206444600000000, -0.0159036000000000 ] - [ -0.0226736400000000, -0.0257426500000000, 0.0145297700000000 ] - [ -0.0279259400000000, -0.0250878900000000, 0.0195891000000000 ] - [ -0.0262754800000000, -0.0261183900000000, 0.0184589100000000 ] - [ -0.0268942000000000, -0.0261790300000000, 0.0194006700000000 ] - [ 0.0261466500000000, -0.0254739000000000, -0.0177735300000000 ] - [ 0.0267899100000000, -0.0260868100000000, -0.0189765700000000 ] - [ 0.0244897900000000, -0.0277066100000000, -0.0254043100000000 ] - [ 0.0263933100000000, -0.0217006200000000, -0.0295333300000000 ] - [ -0.0130150400000000, 0.0243659500000000, -0.0010595200000000 ] - [ 0.0012863400000000, -0.0005384100000000, -0.0011861000000000 ] - [ -0.0061189900000000, -0.0172050500000000, -0.0047107600000000 ] - [ 0.0011569300000000, -0.0003901300000000, -0.0008826400000000 ] - [ 0.0004549800000000, -0.0009154100000000, -0.0007448000000000 ] - [ 0.0002633600000000, -0.0008241900000000, 0.0001122000000000 ] - [ 0.0307772400000000, 0.0065240800000000, -0.0194005900000000 ] - [ -0.0112079700000000, -0.0024521400000000, 0.0061016200000000 ]- atom: 73 displacement: [ 0.0099999976460255, 0.0000000000000000, 0.0000068614491578 ] forces: - [ -0.0217872500000000, 0.0366822100000000, -0.0030887300000000 ] - [ -0.0199500200000000, 0.0398655500000000, -0.0154015400000000 ] - [ -0.0207565100000000, 0.0399484000000000, -0.0079286000000000 ] - [ -0.0211451000000000, 0.0383058300000000, -0.0087649600000000 ] - [ 0.0632057000000000, 0.0731957900000000, 0.0212452100000000 ] - [ 0.0151734000000000, 0.0392754200000000, 0.0089450300000000 ] - [ 0.0230861500000000, 0.0400827200000000, 0.0080892400000000 ] - [ 0.0192199800000000, 0.0378451500000000, 0.0072677100000000 ] - [ 0.0189135500000000, -0.0406260300000000, 0.0115621000000000 ] - [ 0.0208504900000000, -0.0374520700000000, -0.0006795400000000 ] - [ 0.0199963100000000, -0.0373892400000000, 0.0067061900000000 ] - [ 0.0195373800000000, -0.0389822500000000, 0.0059060300000000 ] - [ 0.0224869800000000, -0.0055914700000000, 0.0062153600000000 ] - [ -0.0256263200000000, -0.0379160600000000, -0.0056551900000000 ] - [ -0.0177409800000000, -0.0373351000000000, -0.0065410200000000 ] - [ -0.0214543300000000, -0.0391839800000000, -0.0072258500000000 ] - [ 0.0038982800000000, 0.0156042400000000, 0.0481943700000000 ] - [ -0.0006711900000000, 0.0063766000000000, 0.0405805900000000 ] - [ 0.0045228700000000, 0.0091707300000000, 0.0459295500000000 ] - [ 0.0020365200000000, 0.0120115700000000, 0.0394213700000000 ] - [ 0.0328793900000000, 0.0102697300000000, -0.0762656200000000 ] - [ -0.0102432400000000, 0.0119592200000000, -0.0418099300000000 ] - [ -0.0026668000000000, 0.0090765200000000, -0.0408427100000000 ] - [ -0.0038201500000000, 0.0105478200000000, -0.0421398100000000 ] - [ -0.0036486200000000, -0.0055941400000000, -0.0359749200000000 ] - [ -0.0081240500000000, -0.0148055700000000, -0.0436582700000000 ] - [ -0.0030899800000000, -0.0119634100000000, -0.0383421100000000 ] - [ -0.0055281700000000, -0.0092273200000000, -0.0447698500000000 ] - [ 0.0401052700000000, -0.0107293000000000, 0.0072076200000000 ] - [ -0.0026622600000000, -0.0092622100000000, 0.0425177900000000 ] - [ 0.0048675500000000, -0.0121653400000000, 0.0435293200000000 ] - [ 0.0037333600000000, -0.0106446300000000, 0.0422279100000000 ] - [ 0.0909709000000000, -0.0545288600000000, 0.0149135900000000 ] - [ -0.0148244500000000, -0.0035492000000000, 0.0136899600000000 ] - [ -0.0042895400000000, -0.0044140700000000, 0.0121755700000000 ] - [ -0.0055082900000000, -0.0012040600000000, 0.0112553800000000 ] - [ 0.0035782300000000, -0.0009949900000000, -0.0089664400000000 ] - [ 0.0060218800000000, -0.0022224000000000, -0.0160674900000000 ] - [ 0.0049030800000000, -0.0016237600000000, -0.0113921500000000 ] - [ 0.0057260100000000, -0.0022912600000000, -0.0098776700000000 ] - [ 0.1030979400000000, -0.0545362500000000, -0.0066208200000000 ] - [ -0.0063363400000000, 0.0000051100000000, -0.0089828200000000 ] - [ 0.0040372600000000, -0.0008551700000000, -0.0105158600000000 ] - [ 0.0027436300000000, 0.0024234600000000, -0.0114818200000000 ] - [ -0.0048809600000000, 0.0024705200000000, 0.0137595000000000 ] - [ -0.0021836800000000, 0.0013514500000000, 0.0066149900000000 ] - [ -0.0035904200000000, 0.0018573800000000, 0.0112721500000000 ] - [ -0.0026590600000000, 0.0012823700000000, 0.0128063200000000 ] - [ -0.0004840900000000, -0.0001311400000000, -0.0006125600000000 ] - [ -0.0004977500000000, -0.0001179500000000, -0.0006182500000000 ] - [ -0.0000416400000000, 0.0000974400000000, 0.0002218800000000 ] - [ -0.0000694000000000, 0.0000963800000000, 0.0002094900000000 ] - [ 0.0035617300000000, 0.0036565600000000, -0.0005559900000000 ] - [ 0.0026824900000000, -0.0050133600000000, -0.0007663100000000 ] - [ 0.0026609000000000, -0.0049416500000000, -0.0007599200000000 ] - [ 0.0035652300000000, 0.0036594300000000, -0.0005990500000000 ] - [ -0.0470172600000000, 0.0267465500000000, 0.0208188000000000 ] - [ -0.0240513800000000, 0.0257820900000000, 0.0190608900000000 ] - [ -0.0321897200000000, 0.0306399600000000, 0.0224991500000000 ] - [ -0.0249315300000000, 0.0257064100000000, 0.0185797600000000 ] - [ 0.0493628900000000, 0.0230447400000000, -0.0408037800000000 ] - [ 0.0465990600000000, 0.0373105600000000, 0.0080755200000000 ] - [ 0.0269826500000000, 0.0256879200000000, -0.0192780800000000 ] - [ 0.0272700400000000, 0.0250800700000000, -0.0188778800000000 ] - [ -0.0040836200000000, -0.0286760400000000, -0.0027553400000000 ] - [ -0.0066223100000000, -0.0141306500000000, 0.0461576300000000 ] - [ -0.0263396300000000, -0.0259106500000000, 0.0186570600000000 ] - [ -0.0262284200000000, -0.0265540900000000, 0.0189594100000000 ] - [ 0.0061335500000000, -0.0250401400000000, -0.0167939600000000 ] - [ 0.0293847000000000, -0.0258884500000000, -0.0186016800000000 ] - [ 0.0211380200000000, -0.0211048000000000, -0.0152325300000000 ] - [ 0.0285055500000000, -0.0260288100000000, -0.0190020000000000 ] - [ -0.3793912800000000, 0.0185493500000000, 0.0069448900000000 ] - [ 0.0177642600000000, -0.0014216500000000, -0.0020541700000000 ] - [ -0.0029271300000000, 0.0032930100000000, -0.0047205900000000 ] - [ 0.0016754400000000, 0.0007451600000000, 0.0001913800000000 ] - [ 0.0017807700000000, -0.0014414500000000, -0.0060398200000000 ] - [ 0.0008691500000000, 0.0016395100000000, 0.0073693200000000 ] - [ 0.0018133400000000, -0.0015317800000000, -0.0060272100000000 ] - [ 0.0007209700000000, 0.0016778500000000, 0.0073147500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0225038400000000, 0.0406711000000000, -0.0071862900000000 ] - [ -0.0163780000000000, 0.0393010900000000, -0.0048684500000000 ] - [ -0.0214772100000000, 0.0379964400000000, -0.0070133600000000 ] - [ -0.0215847800000000, 0.0378457600000000, -0.0079907500000000 ] - [ 0.0506569400000000, 0.1336166000000000, 0.0209354500000000 ] - [ 0.0225215800000000, 0.0410383500000000, 0.0073085400000000 ] - [ 0.0206135800000000, 0.0331838000000000, 0.0084283500000000 ] - [ 0.0201851000000000, 0.0378362100000000, 0.0068926600000000 ] - [ 0.0181825000000000, -0.0363642700000000, 0.0073916700000000 ] - [ 0.0243096700000000, -0.0378026900000000, 0.0097056400000000 ] - [ 0.0192704000000000, -0.0391062600000000, 0.0075045900000000 ] - [ 0.0191986100000000, -0.0393626600000000, 0.0066147100000000 ] - [ 0.0069425500000000, 0.0521379500000000, 0.0045446300000000 ] - [ -0.0182127700000000, -0.0361051600000000, -0.0072486800000000 ] - [ -0.0201564900000000, -0.0441684800000000, -0.0060770100000000 ] - [ -0.0206539800000000, -0.0396456600000000, -0.0077780900000000 ] - [ 0.0088798400000000, 0.0089472800000000, 0.0344927600000000 ] - [ 0.0013989800000000, 0.0114230500000000, 0.0374814900000000 ] - [ -0.0007077000000000, 0.0074688600000000, 0.0469977300000000 ] - [ 0.0043399300000000, 0.0096330600000000, 0.0445324200000000 ] - [ -0.0030318100000000, 0.0401946500000000, -0.0537598300000000 ] - [ -0.0047528900000000, 0.0122758600000000, -0.0411482500000000 ] - [ -0.0015528300000000, 0.0057857800000000, -0.0405516400000000 ] - [ -0.0040800900000000, 0.0105240300000000, -0.0425508700000000 ] - [ 0.0012613900000000, -0.0123067200000000, -0.0497252000000000 ] - [ -0.0060854700000000, -0.0097588100000000, -0.0467407800000000 ] - [ -0.0082771300000000, -0.0137511500000000, -0.0373006300000000 ] - [ -0.0032053800000000, -0.0116106200000000, -0.0398107500000000 ] - [ 0.0047185400000000, 0.0188704000000000, 0.0302195900000000 ] - [ 0.0029014500000000, -0.0089836500000000, 0.0431288400000000 ] - [ 0.0060516700000000, -0.0153555700000000, 0.0436370800000000 ] - [ 0.0035567400000000, -0.0106432500000000, 0.0415773100000000 ] - [ -0.0444875300000000, 0.0558676800000000, 0.0040957100000000 ] - [ -0.0064270100000000, 0.0033694900000000, 0.0125585400000000 ] - [ -0.0058405100000000, -0.0063324000000000, 0.0118141200000000 ] - [ -0.0039345800000000, -0.0021245400000000, 0.0110700500000000 ] - [ 0.0041461300000000, -0.0024783000000000, -0.0094836400000000 ] - [ 0.0008119500000000, -0.0021495700000000, -0.0164811100000000 ] - [ 0.0058815000000000, -0.0011703100000000, -0.0123128500000000 ] - [ 0.0065784400000000, -0.0013980700000000, -0.0094536800000000 ] - [ -0.0339823100000000, 0.0590976700000000, -0.0181473000000000 ] - [ 0.0019716400000000, 0.0068800800000000, -0.0101856800000000 ] - [ 0.0025992400000000, -0.0029072700000000, -0.0108571400000000 ] - [ 0.0046146000000000, 0.0012714000000000, -0.0115578800000000 ] - [ -0.0040843400000000, 0.0011781700000000, 0.0133361600000000 ] - [ -0.0075008100000000, 0.0013871500000000, 0.0061711500000000 ] - [ -0.0024309900000000, 0.0024434500000000, 0.0104511200000000 ] - [ -0.0017142500000000, 0.0021703600000000, 0.0133022500000000 ] - [ -0.0004402400000000, -0.0008661500000000, 0.0000585200000000 ] - [ -0.0004213400000000, -0.0008782600000000, -0.0000008100000000 ] - [ -0.0000207600000000, 0.0002929200000000, 0.0002834300000000 ] - [ 0.0000002600000000, 0.0002953300000000, 0.0002959600000000 ] - [ 0.0055120800000000, 0.0035712000000000, -0.0007232800000000 ] - [ -0.0036055800000000, 0.0041246700000000, 0.0003369500000000 ] - [ -0.0036605600000000, 0.0041892300000000, 0.0003329700000000 ] - [ 0.0056116600000000, 0.0036730300000000, -0.0007350500000000 ] - [ -0.0283712900000000, 0.0486060800000000, -0.0117970500000000 ] - [ -0.0272101900000000, 0.0263503500000000, 0.0191789800000000 ] - [ -0.0325765500000000, 0.0486460000000000, 0.0356511300000000 ] - [ -0.0272101100000000, 0.0262484500000000, 0.0191353900000000 ] - [ 0.0263414800000000, 0.0158875300000000, -0.0111850100000000 ] - [ 0.0336289500000000, 0.0012187000000000, -0.0171374400000000 ] - [ 0.0269790200000000, 0.0280134000000000, -0.0197127000000000 ] - [ 0.0271615400000000, 0.0279234400000000, -0.0195266800000000 ] - [ -0.0268644300000000, -0.0358309000000000, 0.0265285900000000 ] - [ -0.0196373100000000, -0.0506152800000000, 0.0208093000000000 ] - [ -0.0265117000000000, -0.0237019500000000, 0.0178051400000000 ] - [ -0.0261625500000000, -0.0238173600000000, 0.0181208100000000 ] - [ 0.0250392300000000, -0.0028895200000000, -0.0492881300000000 ] - [ 0.0261871200000000, -0.0253956800000000, -0.0187266500000000 ] - [ 0.0208233200000000, -0.0026757000000000, -0.0019920500000000 ] - [ 0.0261252700000000, -0.0252455800000000, -0.0187742400000000 ] - [ 0.0185001600000000, -0.3787019700000000, 0.0208220700000000 ] - [ -0.0014254600000000, -0.0086704300000000, -0.0023188800000000 ] - [ 0.0032864600000000, 0.0008172800000000, 0.0005399600000000 ] - [ 0.0007464500000000, 0.0000867600000000, 0.0015113000000000 ] - [ 0.0014936600000000, 0.0000658600000000, 0.0011388600000000 ] - [ -0.0016635800000000, 0.0002113500000000, 0.0011104800000000 ] - [ 0.0014702900000000, -0.0000101900000000, 0.0011103900000000 ] - [ -0.0016556200000000, 0.0001871000000000, 0.0011850100000000 ]- atom: 73 displacement: [ -0.0055843151685910, 0.0000000000000000, 0.0082955062592855 ] forces: - [ -0.0161903700000000, 0.0390240000000000, -0.0140747000000000 ] - [ -0.0256725600000000, 0.0412260000000000, -0.0064152000000000 ] - [ -0.0192494600000000, 0.0380693000000000, -0.0078501100000000 ] - [ -0.0211324000000000, 0.0387992400000000, -0.0069783700000000 ] - [ 0.0081155200000000, 0.0335899200000000, 0.0292947600000000 ] - [ 0.0242749300000000, 0.0377748100000000, 0.0078927400000000 ] - [ 0.0197183500000000, 0.0389272700000000, 0.0087947400000000 ] - [ 0.0210996000000000, 0.0389187000000000, 0.0071762300000000 ] - [ 0.0245363500000000, -0.0383224200000000, 0.0005214600000000 ] - [ 0.0152443700000000, -0.0362345400000000, 0.0082998500000000 ] - [ 0.0214952400000000, -0.0390945600000000, 0.0067043700000000 ] - [ 0.0196462800000000, -0.0386200300000000, 0.0076750200000000 ] - [ -0.0323821000000000, -0.0434201100000000, 0.0147929500000000 ] - [ -0.0165041000000000, -0.0393822200000000, -0.0067082700000000 ] - [ -0.0209478900000000, -0.0379476800000000, -0.0057463300000000 ] - [ -0.0196986200000000, -0.0385646200000000, -0.0074733400000000 ] - [ 0.0065838700000000, 0.0035270700000000, 0.0367349300000000 ] - [ 0.0041232800000000, 0.0123186100000000, 0.0430342800000000 ] - [ 0.0068497800000000, 0.0145845300000000, 0.0401067000000000 ] - [ 0.0032408900000000, 0.0103903400000000, 0.0439679700000000 ] - [ -0.0472656800000000, 0.0069571500000000, 0.0784869700000000 ] - [ -0.0017478400000000, 0.0111829500000000, -0.0425525300000000 ] - [ -0.0040261800000000, 0.0105831900000000, -0.0423909800000000 ] - [ -0.0039656000000000, 0.0103935300000000, -0.0423679300000000 ] - [ -0.0010610900000000, -0.0175491000000000, -0.0474786300000000 ] - [ -0.0035689900000000, -0.0088744000000000, -0.0411405700000000 ] - [ -0.0008290700000000, -0.0066586700000000, -0.0439875500000000 ] - [ -0.0043880500000000, -0.0108060000000000, -0.0401604700000000 ] - [ -0.0379474600000000, -0.0131479400000000, 0.1559502300000000 ] - [ 0.0057070400000000, -0.0100310300000000, 0.0418638400000000 ] - [ 0.0035236100000000, -0.0105848400000000, 0.0419338500000000 ] - [ 0.0036582300000000, -0.0107281000000000, 0.0417687100000000 ] - [ -0.0462155200000000, 0.0166618000000000, 0.0346925500000000 ] - [ 0.0025137800000000, -0.0000480000000000, 0.0130189200000000 ] - [ -0.0030889600000000, -0.0016241500000000, 0.0114864900000000 ] - [ -0.0034601400000000, -0.0017467700000000, 0.0116664600000000 ] - [ 0.0084017100000000, -0.0008952800000000, -0.0182352600000000 ] - [ 0.0001170800000000, -0.0038295700000000, -0.0126580800000000 ] - [ 0.0036622400000000, -0.0020334300000000, -0.0123879400000000 ] - [ 0.0007179500000000, -0.0006153100000000, -0.0146634700000000 ] - [ -0.0377426100000000, 0.0197411900000000, 0.0126235400000000 ] - [ 0.0108035200000000, 0.0035890900000000, -0.0096326600000000 ] - [ 0.0050162000000000, 0.0020971100000000, -0.0112952000000000 ] - [ 0.0050027800000000, 0.0016939100000000, -0.0109924100000000 ] - [ 0.0000131700000000, 0.0025704100000000, 0.0045152600000000 ] - [ -0.0084740300000000, -0.0004366500000000, 0.0099788100000000 ] - [ -0.0046823800000000, 0.0015349300000000, 0.0103178900000000 ] - [ -0.0077917100000000, 0.0028221200000000, 0.0079527700000000 ] - [ 0.0015796900000000, 0.0000670600000000, 0.0073863400000000 ] - [ 0.0016928200000000, 0.0000746400000000, 0.0075324800000000 ] - [ -0.0000486000000000, -0.0000307400000000, 0.0000699200000000 ] - [ 0.0000210300000000, -0.0000219400000000, 0.0001164200000000 ] - [ -0.0015733000000000, -0.0019926700000000, -0.0006413000000000 ] - [ -0.0013097400000000, 0.0024604400000000, -0.0002991800000000 ] - [ -0.0013544400000000, 0.0025408900000000, -0.0003150700000000 ] - [ -0.0014844000000000, -0.0019718000000000, -0.0006102600000000 ] - [ -0.0108197100000000, -0.0053298500000000, 0.0216584200000000 ] - [ -0.0283668300000000, 0.0262404600000000, 0.0198385100000000 ] - [ -0.0247423800000000, 0.0343339900000000, 0.0207183200000000 ] - [ -0.0269993200000000, 0.0257994000000000, 0.0202342100000000 ] - [ -0.0132779500000000, 0.0382326400000000, -0.0058884400000000 ] - [ 0.0339423500000000, 0.0224694500000000, -0.0277510300000000 ] - [ 0.0256385000000000, 0.0252790000000000, -0.0186032700000000 ] - [ 0.0268103300000000, 0.0256585300000000, -0.0187673000000000 ] - [ -0.0671895700000000, -0.0131881400000000, 0.0320091100000000 ] - [ -0.0193897200000000, -0.0289916700000000, 0.0100970300000000 ] - [ -0.0279676000000000, -0.0263498200000000, 0.0191159400000000 ] - [ -0.0263254000000000, -0.0259093100000000, 0.0192836000000000 ] - [ 0.0428700500000000, -0.0576167600000000, -0.0158808500000000 ] - [ 0.0249104200000000, -0.0256303000000000, -0.0178865500000000 ] - [ 0.0286717000000000, -0.0174861500000000, -0.0168643600000000 ] - [ 0.0262260300000000, -0.0257489700000000, -0.0175800600000000 ] - [ 0.2178560700000000, 0.0069744400000000, -0.3321366500000000 ] - [ -0.0116189100000000, -0.0011516600000000, -0.0003536400000000 ] - [ -0.0022823400000000, -0.0013991600000000, 0.0031001300000000 ] - [ -0.0007742200000000, 0.0008565700000000, 0.0002183100000000 ] - [ -0.0060160700000000, -0.0001530300000000, 0.0070983100000000 ] - [ 0.0056449800000000, -0.0019006700000000, -0.0039622100000000 ] - [ -0.0060157200000000, -0.0000493400000000, 0.0069895200000000 ] - [ 0.0056593300000000, -0.0018473100000000, -0.0039886600000000 ]