# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5fdb44ab-fd22-4818-85dc-f26aeeeea80f/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 BaB2F8 / C2/m (12) / materials id 558430](https://mdr.nims.go.jp/datasets/3b2e99ca-9aa2-465b-91c7-b4b0862ad928) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 6.275383900000000, -2.510891360000000, -0.019296970000000 ] # a - [ 6.275383900000000, 2.510891360000000, -0.019296970000000 ] # b - [ -1.804517880000000, 0.000000000000000, 4.428646670000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 - symbol: B # 2 coordinates: [ 0.651651560000000, 0.651651560000000, 0.708612300000000 ] mass: 10.811000 - symbol: B # 3 coordinates: [ 0.348348440000000, 0.348348440000000, 0.291387700000000 ] mass: 10.811000 - symbol: F # 4 coordinates: [ 0.845414380000000, 0.384483460000000, 0.529929260000000 ] mass: 18.998403 - symbol: F # 5 coordinates: [ 0.228583940000000, 0.228583940000000, 0.143397130000000 ] mass: 18.998403 - symbol: F # 6 coordinates: [ 0.384483460000000, 0.845414380000000, 0.529929260000000 ] mass: 18.998403 - symbol: F # 7 coordinates: [ 0.598782920000000, 0.598782920000000, 0.925828820000000 ] mass: 18.998403 - symbol: F # 8 coordinates: [ 0.615516540000000, 0.154585620000000, 0.470070740000000 ] mass: 18.998403 - symbol: F # 9 coordinates: [ 0.154585620000000, 0.615516540000000, 0.470070740000000 ] mass: 18.998403 - symbol: F # 10 coordinates: [ 0.771416060000000, 0.771416060000000, 0.856602870000000 ] mass: 18.998403 - symbol: F # 11 coordinates: [ 0.401217080000000, 0.401217080000000, 0.074171180000000 ] mass: 18.998403 reciprocal_lattice: # without 2pi - [ 0.079776357348154, -0.199132470629872, 0.032506062001106 ] # a* - [ 0.079776357348154, 0.199132470629872, 0.032506062001106 ] # b* - [ 0.000695220047643, 0.000000000000000, 0.226085892963438 ] # c*unit_cell: lattice: - [ 12.550767799999999, 0.000000000000000, -0.038593940000000 ] # a - [ 0.000000000000000, 5.021782720000000, 0.000000000000000 ] # b - [ -1.804517880000000, 0.000000000000000, 4.428646670000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: B # 3 coordinates: [ 0.651651560000000, 0.000000000000000, 0.708612300000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 4 coordinates: [ 0.848348440000000, 0.500000000000000, 0.291387700000000 ] mass: 10.811000 reduced_to: 4 - symbol: B # 5 coordinates: [ 0.151651560000000, 0.500000000000000, 0.708612300000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 6 coordinates: [ 0.348348440000000, 0.000000000000000, 0.291387700000000 ] mass: 10.811000 reduced_to: 4 - symbol: F # 7 coordinates: [ 0.614948920000000, 0.769534540000000, 0.529929260000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 8 coordinates: [ 0.728583940000000, 0.500000000000000, 0.143397130000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 9 coordinates: [ 0.614948920000000, 0.230465460000000, 0.529929260000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.598782920000000, 0.000000000000000, 0.925828820000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 11 coordinates: [ 0.885051080000000, 0.269534540000000, 0.470070740000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 12 coordinates: [ 0.885051080000000, 0.730465460000000, 0.470070740000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 13 coordinates: [ 0.771416060000000, 0.000000000000000, 0.856602870000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.901217080000000, 0.500000000000000, 0.074171180000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 15 coordinates: [ 0.114948920000000, 0.269534540000000, 0.529929260000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 16 coordinates: [ 0.228583940000000, 0.000000000000000, 0.143397130000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 17 coordinates: [ 0.114948920000000, 0.730465460000000, 0.529929260000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 18 coordinates: [ 0.098782920000000, 0.500000000000000, 0.925828820000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 19 coordinates: [ 0.385051080000000, 0.769534540000000, 0.470070740000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 20 coordinates: [ 0.385051080000000, 0.230465460000000, 0.470070740000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 21 coordinates: [ 0.271416060000000, 0.500000000000000, 0.856602870000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 22 coordinates: [ 0.401217080000000, 0.000000000000000, 0.074171180000000 ] mass: 18.998403 reduced_to: 14supercell: lattice: - [ 12.550767799999999, 0.000000000000000, -0.038593940000000 ] # a - [ 0.000000000000000, 10.043565440000000, 0.000000000000000 ] # b - [ -5.413553640000000, 0.000000000000000, 13.285940010000001 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.333333333333333 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 4 coordinates: [ 0.000000000000000, 0.500000000000000, 0.333333333333333 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.666666666666667 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.666666666666667 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 7 coordinates: [ 0.500000000000000, 0.250000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 8 coordinates: [ 0.500000000000000, 0.750000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 9 coordinates: [ 0.500000000000000, 0.250000000000000, 0.333333333333333 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 10 coordinates: [ 0.500000000000000, 0.750000000000000, 0.333333333333333 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 11 coordinates: [ 0.500000000000000, 0.250000000000000, 0.666666666666667 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 12 coordinates: [ 0.500000000000000, 0.750000000000000, 0.666666666666667 ] mass: 137.327000 reduced_to: 1 - symbol: B # 13 coordinates: [ 0.651651560000000, 0.000000000000000, 0.236204100000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 14 coordinates: [ 0.651651560000000, 0.500000000000000, 0.236204100000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 15 coordinates: [ 0.651651560000000, 0.000000000000000, 0.569537433333333 ] mass: 10.811000 reduced_to: 13 - symbol: B # 16 coordinates: [ 0.651651560000000, 0.500000000000000, 0.569537433333333 ] mass: 10.811000 reduced_to: 13 - symbol: B # 17 coordinates: [ 0.651651560000000, 0.000000000000000, 0.902870766666667 ] mass: 10.811000 reduced_to: 13 - symbol: B # 18 coordinates: [ 0.651651560000000, 0.500000000000000, 0.902870766666667 ] mass: 10.811000 reduced_to: 13 - symbol: B # 19 coordinates: [ 0.848348440000000, 0.250000000000000, 0.097129233333333 ] mass: 10.811000 reduced_to: 19 - symbol: B # 20 coordinates: [ 0.848348440000000, 0.750000000000000, 0.097129233333333 ] mass: 10.811000 reduced_to: 19 - symbol: B # 21 coordinates: [ 0.848348440000000, 0.250000000000000, 0.430462566666667 ] mass: 10.811000 reduced_to: 19 - symbol: B # 22 coordinates: [ 0.848348440000000, 0.750000000000000, 0.430462566666667 ] mass: 10.811000 reduced_to: 19 - symbol: B # 23 coordinates: [ 0.848348440000000, 0.250000000000000, 0.763795900000000 ] mass: 10.811000 reduced_to: 19 - symbol: B # 24 coordinates: [ 0.848348440000000, 0.750000000000000, 0.763795900000000 ] mass: 10.811000 reduced_to: 19 - symbol: B # 25 coordinates: [ 0.151651560000000, 0.250000000000000, 0.236204100000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 26 coordinates: [ 0.151651560000000, 0.750000000000000, 0.236204100000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 27 coordinates: [ 0.151651560000000, 0.250000000000000, 0.569537433333333 ] mass: 10.811000 reduced_to: 13 - symbol: B # 28 coordinates: [ 0.151651560000000, 0.750000000000000, 0.569537433333333 ] mass: 10.811000 reduced_to: 13 - symbol: B # 29 coordinates: [ 0.151651560000000, 0.250000000000000, 0.902870766666667 ] mass: 10.811000 reduced_to: 13 - symbol: B # 30 coordinates: [ 0.151651560000000, 0.750000000000000, 0.902870766666667 ] mass: 10.811000 reduced_to: 13 - symbol: B # 31 coordinates: [ 0.348348440000000, 0.000000000000000, 0.097129233333333 ] mass: 10.811000 reduced_to: 19 - symbol: B # 32 coordinates: [ 0.348348440000000, 0.500000000000000, 0.097129233333333 ] mass: 10.811000 reduced_to: 19 - symbol: B # 33 coordinates: [ 0.348348440000000, 0.000000000000000, 0.430462566666667 ] mass: 10.811000 reduced_to: 19 - symbol: B # 34 coordinates: [ 0.348348440000000, 0.500000000000000, 0.430462566666667 ] mass: 10.811000 reduced_to: 19 - symbol: B # 35 coordinates: [ 0.348348440000000, 0.000000000000000, 0.763795900000000 ] mass: 10.811000 reduced_to: 19 - symbol: B # 36 coordinates: [ 0.348348440000000, 0.500000000000000, 0.763795900000000 ] mass: 10.811000 reduced_to: 19 - symbol: F # 37 coordinates: [ 0.614948920000000, 0.384767270000000, 0.176643086666667 ] mass: 18.998403 reduced_to: 37 - symbol: F # 38 coordinates: [ 0.614948920000000, 0.884767270000000, 0.176643086666667 ] mass: 18.998403 reduced_to: 37 - symbol: F # 39 coordinates: [ 0.614948920000000, 0.384767270000000, 0.509976420000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 40 coordinates: [ 0.614948920000000, 0.884767270000000, 0.509976420000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 41 coordinates: [ 0.614948920000000, 0.384767270000000, 0.843309753333333 ] mass: 18.998403 reduced_to: 37 - symbol: F # 42 coordinates: [ 0.614948920000000, 0.884767270000000, 0.843309753333333 ] mass: 18.998403 reduced_to: 37 - symbol: F # 43 coordinates: [ 0.728583940000000, 0.250000000000000, 0.047799043333333 ] mass: 18.998403 reduced_to: 43 - symbol: F # 44 coordinates: [ 0.728583940000000, 0.750000000000000, 0.047799043333333 ] mass: 18.998403 reduced_to: 43 - symbol: F # 45 coordinates: [ 0.728583940000000, 0.250000000000000, 0.381132376666667 ] mass: 18.998403 reduced_to: 43 - symbol: F # 46 coordinates: [ 0.728583940000000, 0.750000000000000, 0.381132376666667 ] mass: 18.998403 reduced_to: 43 - symbol: F # 47 coordinates: [ 0.728583940000000, 0.250000000000000, 0.714465710000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 48 coordinates: [ 0.728583940000000, 0.750000000000000, 0.714465710000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 49 coordinates: [ 0.614948920000000, 0.115232730000000, 0.176643086666667 ] mass: 18.998403 reduced_to: 49 - symbol: F # 50 coordinates: [ 0.614948920000000, 0.615232730000000, 0.176643086666667 ] mass: 18.998403 reduced_to: 49 - symbol: F # 51 coordinates: [ 0.614948920000000, 0.115232730000000, 0.509976420000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 52 coordinates: [ 0.614948920000000, 0.615232730000000, 0.509976420000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 53 coordinates: [ 0.614948920000000, 0.115232730000000, 0.843309753333333 ] mass: 18.998403 reduced_to: 49 - symbol: F # 54 coordinates: [ 0.614948920000000, 0.615232730000000, 0.843309753333333 ] mass: 18.998403 reduced_to: 49 - symbol: F # 55 coordinates: [ 0.598782920000000, 0.000000000000000, 0.308609606666667 ] mass: 18.998403 reduced_to: 55 - symbol: F # 56 coordinates: [ 0.598782920000000, 0.500000000000000, 0.308609606666667 ] mass: 18.998403 reduced_to: 55 - symbol: F # 57 coordinates: [ 0.598782920000000, 0.000000000000000, 0.641942940000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 58 coordinates: [ 0.598782920000000, 0.500000000000000, 0.641942940000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 59 coordinates: [ 0.598782920000000, 0.000000000000000, 0.975276273333333 ] mass: 18.998403 reduced_to: 55 - symbol: F # 60 coordinates: [ 0.598782920000000, 0.500000000000000, 0.975276273333333 ] mass: 18.998403 reduced_to: 55 - symbol: F # 61 coordinates: [ 0.885051080000000, 0.134767270000000, 0.156690246666667 ] mass: 18.998403 reduced_to: 61 - symbol: F # 62 coordinates: [ 0.885051080000000, 0.634767270000000, 0.156690246666667 ] mass: 18.998403 reduced_to: 61 - symbol: F # 63 coordinates: [ 0.885051080000000, 0.134767270000000, 0.490023580000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 64 coordinates: [ 0.885051080000000, 0.634767270000000, 0.490023580000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 65 coordinates: [ 0.885051080000000, 0.134767270000000, 0.823356913333333 ] mass: 18.998403 reduced_to: 61 - symbol: F # 66 coordinates: [ 0.885051080000000, 0.634767270000000, 0.823356913333333 ] mass: 18.998403 reduced_to: 61 - symbol: F # 67 coordinates: [ 0.885051080000000, 0.365232730000000, 0.156690246666667 ] mass: 18.998403 reduced_to: 67 - symbol: F # 68 coordinates: [ 0.885051080000000, 0.865232730000000, 0.156690246666667 ] mass: 18.998403 reduced_to: 67 - symbol: F # 69 coordinates: [ 0.885051080000000, 0.365232730000000, 0.490023580000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 70 coordinates: [ 0.885051080000000, 0.865232730000000, 0.490023580000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 71 coordinates: [ 0.885051080000000, 0.365232730000000, 0.823356913333333 ] mass: 18.998403 reduced_to: 67 - symbol: F # 72 coordinates: [ 0.885051080000000, 0.865232730000000, 0.823356913333333 ] mass: 18.998403 reduced_to: 67 - symbol: F # 73 coordinates: [ 0.771416060000000, 0.000000000000000, 0.285534290000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 74 coordinates: [ 0.771416060000000, 0.500000000000000, 0.285534290000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 75 coordinates: [ 0.771416060000000, 0.000000000000000, 0.618867623333333 ] mass: 18.998403 reduced_to: 73 - symbol: F # 76 coordinates: [ 0.771416060000000, 0.500000000000000, 0.618867623333333 ] mass: 18.998403 reduced_to: 73 - symbol: F # 77 coordinates: [ 0.771416060000000, 0.000000000000000, 0.952200956666667 ] mass: 18.998403 reduced_to: 73 - symbol: F # 78 coordinates: [ 0.771416060000000, 0.500000000000000, 0.952200956666667 ] mass: 18.998403 reduced_to: 73 - symbol: F # 79 coordinates: [ 0.901217080000000, 0.250000000000000, 0.024723726666667 ] mass: 18.998403 reduced_to: 79 - symbol: F # 80 coordinates: [ 0.901217080000000, 0.750000000000000, 0.024723726666667 ] mass: 18.998403 reduced_to: 79 - symbol: F # 81 coordinates: [ 0.901217080000000, 0.250000000000000, 0.358057060000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 82 coordinates: [ 0.901217080000000, 0.750000000000000, 0.358057060000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 83 coordinates: [ 0.901217080000000, 0.250000000000000, 0.691390393333333 ] mass: 18.998403 reduced_to: 79 - symbol: F # 84 coordinates: [ 0.901217080000000, 0.750000000000000, 0.691390393333333 ] mass: 18.998403 reduced_to: 79 - symbol: F # 85 coordinates: [ 0.114948920000000, 0.134767270000000, 0.176643086666667 ] mass: 18.998403 reduced_to: 37 - symbol: F # 86 coordinates: [ 0.114948920000000, 0.634767270000000, 0.176643086666667 ] mass: 18.998403 reduced_to: 37 - symbol: F # 87 coordinates: [ 0.114948920000000, 0.134767270000000, 0.509976420000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 88 coordinates: [ 0.114948920000000, 0.634767270000000, 0.509976420000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 89 coordinates: [ 0.114948920000000, 0.134767270000000, 0.843309753333333 ] mass: 18.998403 reduced_to: 37 - symbol: F # 90 coordinates: [ 0.114948920000000, 0.634767270000000, 0.843309753333333 ] mass: 18.998403 reduced_to: 37 - symbol: F # 91 coordinates: [ 0.228583940000000, 0.000000000000000, 0.047799043333333 ] mass: 18.998403 reduced_to: 43 - symbol: F # 92 coordinates: [ 0.228583940000000, 0.500000000000000, 0.047799043333333 ] mass: 18.998403 reduced_to: 43 - symbol: F # 93 coordinates: [ 0.228583940000000, 0.000000000000000, 0.381132376666667 ] mass: 18.998403 reduced_to: 43 - symbol: F # 94 coordinates: [ 0.228583940000000, 0.500000000000000, 0.381132376666667 ] mass: 18.998403 reduced_to: 43 - symbol: F # 95 coordinates: [ 0.228583940000000, 0.000000000000000, 0.714465710000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 96 coordinates: [ 0.228583940000000, 0.500000000000000, 0.714465710000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 97 coordinates: [ 0.114948920000000, 0.365232730000000, 0.176643086666667 ] mass: 18.998403 reduced_to: 49 - symbol: F # 98 coordinates: [ 0.114948920000000, 0.865232730000000, 0.176643086666667 ] mass: 18.998403 reduced_to: 49 - symbol: F # 99 coordinates: [ 0.114948920000000, 0.365232730000000, 0.509976420000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 100 coordinates: [ 0.114948920000000, 0.865232730000000, 0.509976420000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 101 coordinates: [ 0.114948920000000, 0.365232730000000, 0.843309753333333 ] mass: 18.998403 reduced_to: 49 - symbol: F # 102 coordinates: [ 0.114948920000000, 0.865232730000000, 0.843309753333333 ] mass: 18.998403 reduced_to: 49 - symbol: F # 103 coordinates: [ 0.098782920000000, 0.250000000000000, 0.308609606666667 ] mass: 18.998403 reduced_to: 55 - symbol: F # 104 coordinates: [ 0.098782920000000, 0.750000000000000, 0.308609606666667 ] mass: 18.998403 reduced_to: 55 - symbol: F # 105 coordinates: [ 0.098782920000000, 0.250000000000000, 0.641942940000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 106 coordinates: [ 0.098782920000000, 0.750000000000000, 0.641942940000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 107 coordinates: [ 0.098782920000000, 0.250000000000000, 0.975276273333333 ] mass: 18.998403 reduced_to: 55 - symbol: F # 108 coordinates: [ 0.098782920000000, 0.750000000000000, 0.975276273333333 ] mass: 18.998403 reduced_to: 55 - symbol: F # 109 coordinates: [ 0.385051080000000, 0.384767270000000, 0.156690246666667 ] mass: 18.998403 reduced_to: 61 - symbol: F # 110 coordinates: [ 0.385051080000000, 0.884767270000000, 0.156690246666667 ] mass: 18.998403 reduced_to: 61 - symbol: F # 111 coordinates: [ 0.385051080000000, 0.384767270000000, 0.490023580000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 112 coordinates: [ 0.385051080000000, 0.884767270000000, 0.490023580000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 113 coordinates: [ 0.385051080000000, 0.384767270000000, 0.823356913333333 ] mass: 18.998403 reduced_to: 61 - symbol: F # 114 coordinates: [ 0.385051080000000, 0.884767270000000, 0.823356913333333 ] mass: 18.998403 reduced_to: 61 - symbol: F # 115 coordinates: [ 0.385051080000000, 0.115232730000000, 0.156690246666667 ] mass: 18.998403 reduced_to: 67 - symbol: F # 116 coordinates: [ 0.385051080000000, 0.615232730000000, 0.156690246666667 ] mass: 18.998403 reduced_to: 67 - symbol: F # 117 coordinates: [ 0.385051080000000, 0.115232730000000, 0.490023580000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 118 coordinates: [ 0.385051080000000, 0.615232730000000, 0.490023580000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 119 coordinates: [ 0.385051080000000, 0.115232730000000, 0.823356913333333 ] mass: 18.998403 reduced_to: 67 - symbol: F # 120 coordinates: [ 0.385051080000000, 0.615232730000000, 0.823356913333333 ] mass: 18.998403 reduced_to: 67 - symbol: F # 121 coordinates: [ 0.271416060000000, 0.250000000000000, 0.285534290000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 122 coordinates: [ 0.271416060000000, 0.750000000000000, 0.285534290000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 123 coordinates: [ 0.271416060000000, 0.250000000000000, 0.618867623333333 ] mass: 18.998403 reduced_to: 73 - symbol: F # 124 coordinates: [ 0.271416060000000, 0.750000000000000, 0.618867623333333 ] mass: 18.998403 reduced_to: 73 - symbol: F # 125 coordinates: [ 0.271416060000000, 0.250000000000000, 0.952200956666667 ] mass: 18.998403 reduced_to: 73 - symbol: F # 126 coordinates: [ 0.271416060000000, 0.750000000000000, 0.952200956666667 ] mass: 18.998403 reduced_to: 73 - symbol: F # 127 coordinates: [ 0.401217080000000, 0.000000000000000, 0.024723726666667 ] mass: 18.998403 reduced_to: 79 - symbol: F # 128 coordinates: [ 0.401217080000000, 0.500000000000000, 0.024723726666667 ] mass: 18.998403 reduced_to: 79 - symbol: F # 129 coordinates: [ 0.401217080000000, 0.000000000000000, 0.358057060000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 130 coordinates: [ 0.401217080000000, 0.500000000000000, 0.358057060000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 131 coordinates: [ 0.401217080000000, 0.000000000000000, 0.691390393333333 ] mass: 18.998403 reduced_to: 79 - symbol: F # 132 coordinates: [ 0.401217080000000, 0.500000000000000, 0.691390393333333 ] mass: 18.998403 reduced_to: 79born_effective_charge:- # 1 (Ba) - [ 2.703109110000000, -0.000000000000000, 0.137491240000000 ] - [ -0.000000000000000, 2.757466850000000, 0.000000000000000 ] - [ 0.169689720000000, 0.000000000000000, 2.682270850000000 ]- # 2 (B) - [ 2.509875420000000, 0.000000000000000, 0.144825590000000 ] - [ 0.000000000000000, 2.366883980000000, 0.000000000000000 ] - [ 0.102816970000000, 0.000000000000000, 2.347079660000000 ]- # 3 (B) - [ 2.509875420000000, 0.000000000000000, 0.144825590000000 ] - [ 0.000000000000000, 2.366883980000000, 0.000000000000000 ] - [ 0.102816970000000, 0.000000000000000, 2.347079660000000 ]- # 4 (F) - [ -0.623950970000000, -0.119434800000000, -0.076941560000000 ] - [ -0.102354130000000, -1.149580710000000, -0.459297390000000 ] - [ -0.069328490000000, -0.454737690000000, -1.021033710000000 ]- # 5 (F) - [ -1.525754660000000, -0.000000000000000, -0.449879580000000 ] - [ -0.000000000000000, -0.572061280000000, -0.000000000000000 ] - [ -0.440556170000000, -0.000000000000000, -0.750359070000000 ]- # 6 (F) - [ -0.623950970000000, 0.119434800000000, -0.076941560000000 ] - [ 0.102354130000000, -1.149580710000000, 0.459297390000000 ] - [ -0.069328490000000, 0.454737690000000, -1.021033710000000 ]- # 7 (F) - [ -1.087773370000000, -0.000000000000000, 0.390191490000000 ] - [ -0.000000000000000, -0.874394710000000, 0.000000000000000 ] - [ 0.391551320000000, 0.000000000000000, -0.895788600000000 ]- # 8 (F) - [ -0.623950970000000, 0.119434800000000, -0.076941560000000 ] - [ 0.102354130000000, -1.149580710000000, 0.459297390000000 ] - [ -0.069328490000000, 0.454737690000000, -1.021033710000000 ]- # 9 (F) - [ -0.623950970000000, -0.119434800000000, -0.076941560000000 ] - [ -0.102354130000000, -1.149580710000000, -0.459297390000000 ] - [ -0.069328490000000, -0.454737690000000, -1.021033710000000 ]- # 10 (F) - [ -1.525754660000000, -0.000000000000000, -0.449879580000000 ] - [ -0.000000000000000, -0.572061280000000, -0.000000000000000 ] - [ -0.440556170000000, -0.000000000000000, -0.750359070000000 ]- # 11 (F) - [ -1.087773370000000, -0.000000000000000, 0.390191490000000 ] - [ -0.000000000000000, -0.874394710000000, 0.000000000000000 ] - [ 0.391551320000000, 0.000000000000000, -0.895788600000000 ]dielectric_constant: - [ 2.086029360000000, 0.000000000000000, 0.025102220000000 ] - [ 0.000000000000000, 2.089598230000000, 0.000000000000000 ] - [ 0.025102350000000, 0.000000000000000, 2.069148160000000 ]displacements:- atom: 1 displacement: [ 0.0099999527214042, 0.0000000000000000, -0.0000307501167644 ] forces: - [ -0.0510178900000000, 0.0000000000000000, -0.0134227800000000 ] - [ -0.0068109500000000, 0.0000000000000000, 0.0000657500000000 ] - [ -0.0021349800000000, 0.0000000000000000, -0.0042173400000000 ] - [ -0.0012342000000000, 0.0000000000000000, -0.0017950600000000 ] - [ -0.0021598800000000, 0.0000000000000000, -0.0042134100000000 ] - [ -0.0012437400000000, 0.0000000000000000, -0.0017923100000000 ] - [ 0.0061553200000000, 0.0000097800000000, -0.0001971100000000 ] - [ 0.0061553200000000, -0.0000097800000000, -0.0001971100000000 ] - [ 0.0014482800000000, 0.0007895800000000, 0.0022258900000000 ] - [ 0.0014482800000000, -0.0007895800000000, 0.0022258900000000 ] - [ 0.0014537700000000, -0.0007823100000000, 0.0022125400000000 ] - [ 0.0014537700000000, 0.0007823100000000, 0.0022125400000000 ] - [ 0.0024100000000000, 0.0000000000000000, -0.0004060300000000 ] - [ 0.0008335300000000, 0.0000000000000000, -0.0004251100000000 ] - [ -0.0012045200000000, 0.0000000000000000, 0.0016458400000000 ] - [ -0.0010142000000000, 0.0000000000000000, 0.0007826700000000 ] - [ 0.0205549600000000, 0.0000000000000000, 0.0092477200000000 ] - [ 0.0010278200000000, 0.0000000000000000, 0.0000956300000000 ] - [ 0.0054015300000000, -0.0084443700000000, -0.0040642800000000 ] - [ 0.0054015300000000, 0.0084443700000000, -0.0040642800000000 ] - [ 0.0014319800000000, 0.0000084200000000, -0.0007321800000000 ] - [ 0.0014319800000000, -0.0000084200000000, -0.0007321800000000 ] - [ -0.0018535800000000, -0.0037029700000000, 0.0030685300000000 ] - [ -0.0018535800000000, 0.0037029700000000, 0.0030685300000000 ] - [ -0.0033499200000000, 0.0036465600000000, 0.0027757800000000 ] - [ -0.0033499200000000, -0.0036465600000000, 0.0027757800000000 ] - [ -0.0000506800000000, -0.0000076100000000, -0.0009813500000000 ] - [ -0.0000506800000000, 0.0000076100000000, -0.0009813500000000 ] - [ 0.0038736100000000, 0.0085050600000000, -0.0043101700000000 ] - [ 0.0038736100000000, -0.0085050600000000, -0.0043101700000000 ] - [ 0.0222145100000000, 0.0000000000000000, 0.0095784900000000 ] - [ 0.0024901700000000, 0.0000000000000000, 0.0003374500000000 ] - [ 0.0002595400000000, 0.0000000000000000, 0.0018850600000000 ] - [ 0.0004576000000000, 0.0000000000000000, 0.0010217300000000 ] - [ 0.0038832600000000, 0.0000000000000000, -0.0001800000000000 ] - [ 0.0023082100000000, 0.0000000000000000, -0.0001912000000000 ] - [ -0.0002797500000000, -0.0007373000000000, 0.0002268500000000 ] - [ -0.0008495000000000, -0.0008049200000000, 0.0002140900000000 ] - [ 0.0002755600000000, -0.0009199100000000, -0.0003340200000000 ] - [ 0.0002681600000000, -0.0010632200000000, -0.0005438300000000 ] - [ -0.0001672200000000, -0.0005453000000000, -0.0001616500000000 ] - [ -0.0031493300000000, -0.0038276000000000, -0.0034573300000000 ] - [ -0.0032542100000000, 0.0013246400000000, -0.0005672700000000 ] - [ -0.0032542100000000, -0.0013246400000000, -0.0005672700000000 ] - [ -0.0010993100000000, 0.0000022000000000, -0.0004896000000000 ] - [ -0.0010993100000000, -0.0000022000000000, -0.0004896000000000 ] - [ -0.0003382900000000, 0.0005195200000000, -0.0011043600000000 ] - [ -0.0003382900000000, -0.0005195200000000, -0.0011043600000000 ] - [ -0.0008495000000000, 0.0008049200000000, 0.0002140900000000 ] - [ -0.0002797500000000, 0.0007373000000000, 0.0002268500000000 ] - [ 0.0002681600000000, 0.0010632200000000, -0.0005438300000000 ] - [ 0.0002755600000000, 0.0009199100000000, -0.0003340200000000 ] - [ -0.0031493300000000, 0.0038276000000000, -0.0034573300000000 ] - [ -0.0001672200000000, 0.0005453000000000, -0.0001616500000000 ] - [ -0.0012239700000000, 0.0000000000000000, -0.0006293900000000 ] - [ -0.0007340500000000, 0.0000000000000000, -0.0005951200000000 ] - [ 0.0002797000000000, 0.0000000000000000, -0.0018202800000000 ] - [ 0.0001602400000000, 0.0000000000000000, -0.0012892100000000 ] - [ -0.0061811900000000, 0.0000000000000000, 0.0006064800000000 ] - [ -0.0011226200000000, 0.0000000000000000, -0.0005415400000000 ] - [ -0.0012148000000000, 0.0017918100000000, 0.0024402400000000 ] - [ -0.0002027700000000, -0.0035066700000000, 0.0020192300000000 ] - [ -0.0003079200000000, -0.0009773500000000, 0.0003475200000000 ] - [ -0.0003289900000000, -0.0009105300000000, 0.0002219600000000 ] - [ 0.0019573700000000, 0.0000748000000000, -0.0001972100000000 ] - [ 0.0007615000000000, -0.0018301900000000, -0.0000497500000000 ] - [ -0.0002027700000000, 0.0035066700000000, 0.0020192300000000 ] - [ -0.0012148000000000, -0.0017918100000000, 0.0024402400000000 ] - [ -0.0003289900000000, 0.0009105300000000, 0.0002219600000000 ] - [ -0.0003079200000000, 0.0009773500000000, 0.0003475200000000 ] - [ 0.0007615000000000, 0.0018301900000000, -0.0000497500000000 ] - [ 0.0019573700000000, -0.0000748000000000, -0.0001972100000000 ] - [ -0.0006330300000000, 0.0000000000000000, 0.0005935600000000 ] - [ 0.0000284300000000, 0.0000000000000000, 0.0005536200000000 ] - [ 0.0010760700000000, 0.0000000000000000, 0.0000967400000000 ] - [ 0.0008949300000000, 0.0000000000000000, 0.0003508200000000 ] - [ 0.0061811600000000, 0.0000000000000000, -0.0002888400000000 ] - [ 0.0003944500000000, 0.0000000000000000, 0.0001433700000000 ] - [ 0.0019808800000000, 0.0007327100000000, 0.0020504200000000 ] - [ 0.0019808800000000, -0.0007327100000000, 0.0020504200000000 ] - [ -0.0003560100000000, 0.0001156000000000, 0.0015101700000000 ] - [ -0.0003560100000000, -0.0001156000000000, 0.0015101700000000 ] - [ 0.0017969400000000, 0.0004720000000000, -0.0002984500000000 ] - [ 0.0017969400000000, -0.0004720000000000, -0.0002984500000000 ] - [ 0.0025665300000000, -0.0015050000000000, 0.0000888400000000 ] - [ 0.0013748800000000, 0.0003599100000000, 0.0002209900000000 ] - [ 0.0003052100000000, -0.0004778400000000, 0.0006179700000000 ] - [ 0.0002841300000000, -0.0005444000000000, 0.0004923600000000 ] - [ -0.0005762900000000, -0.0032573200000000, 0.0027113800000000 ] - [ 0.0004193400000000, 0.0020574000000000, 0.0022853000000000 ] - [ 0.0056981500000000, 0.0000000000000000, -0.0010594800000000 ] - [ -0.0009364200000000, 0.0000000000000000, -0.0008567600000000 ] - [ -0.0002587500000000, 0.0000000000000000, -0.0009006700000000 ] - [ -0.0004445900000000, 0.0000000000000000, -0.0006494100000000 ] - [ -0.0019696100000000, 0.0000000000000000, -0.0004034000000000 ] - [ -0.0013098100000000, 0.0000000000000000, -0.0004466200000000 ] - [ 0.0013748800000000, -0.0003599100000000, 0.0002209900000000 ] - [ 0.0025665300000000, 0.0015050000000000, 0.0000888400000000 ] - [ 0.0002841300000000, 0.0005444000000000, 0.0004923600000000 ] - [ 0.0003052100000000, 0.0004778400000000, 0.0006179700000000 ] - [ 0.0004193400000000, -0.0020574000000000, 0.0022853000000000 ] - [ -0.0005762900000000, 0.0032573200000000, 0.0027113800000000 ] - [ 0.0016555800000000, -0.0004638500000000, -0.0019447800000000 ] - [ 0.0016555800000000, 0.0004638500000000, -0.0019447800000000 ] - [ -0.0004851100000000, -0.0001159700000000, -0.0001498300000000 ] - [ -0.0004851100000000, 0.0001159700000000, -0.0001498300000000 ] - [ 0.0019260900000000, -0.0006439200000000, 0.0003649200000000 ] - [ 0.0019260900000000, 0.0006439200000000, 0.0003649200000000 ] - [ -0.0007762000000000, -0.0009141000000000, -0.0004296300000000 ] - [ -0.0037825200000000, 0.0023947000000000, -0.0037532900000000 ] - [ -0.0003356700000000, -0.0005377400000000, -0.0005995500000000 ] - [ -0.0003422100000000, -0.0003940200000000, -0.0008095400000000 ] - [ -0.0008913700000000, -0.0007223500000000, -0.0000367900000000 ] - [ -0.0014602900000000, -0.0006523600000000, -0.0000474200000000 ] - [ -0.0037825200000000, -0.0023947000000000, -0.0037532900000000 ] - [ -0.0007762000000000, 0.0009141000000000, -0.0004296300000000 ] - [ -0.0003422100000000, 0.0003940200000000, -0.0008095400000000 ] - [ -0.0003356700000000, 0.0005377400000000, -0.0005995500000000 ] - [ -0.0014602900000000, 0.0006523600000000, -0.0000474200000000 ] - [ -0.0008913700000000, 0.0007223500000000, -0.0000367900000000 ] - [ 0.0010266600000000, -0.0005128700000000, -0.0000874300000000 ] - [ 0.0010266600000000, 0.0005128700000000, -0.0000874300000000 ] - [ 0.0002466300000000, -0.0000026800000000, 0.0005168000000000 ] - [ 0.0002466300000000, 0.0000026800000000, 0.0005168000000000 ] - [ -0.0018949500000000, -0.0013370700000000, 0.0004444300000000 ] - [ -0.0018949500000000, 0.0013370700000000, 0.0004444300000000 ] - [ -0.0060717900000000, 0.0000000000000000, 0.0022681900000000 ] - [ -0.0009875600000000, 0.0000000000000000, 0.0011178000000000 ] - [ 0.0004169100000000, 0.0000000000000000, -0.0001632000000000 ] - [ 0.0002945300000000, 0.0000000000000000, 0.0003714500000000 ] - [ -0.0010931700000000, 0.0000000000000000, 0.0010374000000000 ] - [ -0.0006033200000000, 0.0000000000000000, 0.0010685500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0430136800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0159163900000000, 0.0000000000000000 ] - [ 0.0000035300000000, -0.0039695300000000, -0.0000070600000000 ] - [ -0.0000005700000000, 0.0030561000000000, 0.0000060900000000 ] - [ -0.0000035300000000, -0.0039695300000000, 0.0000070600000000 ] - [ 0.0000005700000000, 0.0030561000000000, -0.0000060900000000 ] - [ 0.0000000000000000, 0.0000267500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000413900000000, 0.0000000000000000 ] - [ 0.0007871100000000, 0.0000292600000000, 0.0005248700000000 ] - [ -0.0007878700000000, 0.0000364000000000, -0.0005264200000000 ] - [ -0.0007871100000000, 0.0000292600000000, -0.0005248700000000 ] - [ 0.0007878700000000, 0.0000364000000000, 0.0005264200000000 ] - [ -0.0007368800000000, -0.0013535100000000, -0.0001238100000000 ] - [ -0.0007375900000000, 0.0012695400000000, -0.0001218700000000 ] - [ -0.0007356500000000, -0.0010778600000000, -0.0001206500000000 ] - [ -0.0007374900000000, 0.0010456100000000, -0.0001245400000000 ] - [ -0.0006929500000000, -0.0029533000000000, -0.0001015700000000 ] - [ -0.0007462900000000, 0.0025422000000000, -0.0001289100000000 ] - [ -0.0120534300000000, 0.0037199300000000, 0.0091972000000000 ] - [ 0.0134315400000000, 0.0037407400000000, -0.0088796000000000 ] - [ 0.0004102600000000, -0.0000110400000000, 0.0004219100000000 ] - [ 0.0010590000000000, -0.0000072400000000, -0.0001764700000000 ] - [ -0.0009130100000000, 0.0068831400000000, -0.0080854600000000 ] - [ 0.0023756000000000, 0.0069350200000000, 0.0083009200000000 ] - [ 0.0009130100000000, 0.0068831400000000, 0.0080854600000000 ] - [ -0.0023756000000000, 0.0069350200000000, -0.0083009200000000 ] - [ -0.0004102600000000, -0.0000110400000000, -0.0004219100000000 ] - [ -0.0010590000000000, -0.0000072400000000, 0.0001764700000000 ] - [ 0.0120534300000000, 0.0037199300000000, -0.0091972000000000 ] - [ -0.0134315400000000, 0.0037407400000000, 0.0088796000000000 ] - [ 0.0006929500000000, -0.0029533000000000, 0.0001015700000000 ] - [ 0.0007462900000000, 0.0025422000000000, 0.0001289100000000 ] - [ 0.0007356500000000, -0.0010778600000000, 0.0001206500000000 ] - [ 0.0007374900000000, 0.0010456100000000, 0.0001245400000000 ] - [ 0.0007368800000000, -0.0013535100000000, 0.0001238100000000 ] - [ 0.0007375900000000, 0.0012695400000000, 0.0001218700000000 ] - [ 0.0003518700000000, -0.0012867400000000, -0.0001774400000000 ] - [ 0.0002485400000000, -0.0001596700000000, 0.0004556700000000 ] - [ 0.0002865700000000, -0.0010959400000000, 0.0000588300000000 ] - [ 0.0003270700000000, -0.0003628200000000, 0.0002144800000000 ] - [ 0.0004292100000000, -0.0016168900000000, -0.0000543900000000 ] - [ 0.0001411700000000, 0.0003159200000000, 0.0004528400000000 ] - [ 0.0034895100000000, -0.0002433500000000, -0.0002437100000000 ] - [ -0.0048227200000000, -0.0002494300000000, -0.0007705500000000 ] - [ -0.0006206000000000, 0.0000010800000000, -0.0005456000000000 ] - [ -0.0007348100000000, 0.0000001900000000, -0.0004673100000000 ] - [ 0.0014650000000000, -0.0008311600000000, 0.0013934000000000 ] - [ -0.0028216200000000, -0.0008404500000000, -0.0024067300000000 ] - [ 0.0003605300000000, 0.0013069800000000, -0.0001891300000000 ] - [ 0.0002569900000000, 0.0001771300000000, 0.0004434300000000 ] - [ 0.0002808000000000, 0.0011037700000000, 0.0000504900000000 ] - [ 0.0003220700000000, 0.0003675100000000, 0.0002086200000000 ] - [ 0.0004544400000000, 0.0017973400000000, -0.0002013900000000 ] - [ 0.0001827800000000, -0.0001557900000000, 0.0003252100000000 ] - [ -0.0000665300000000, 0.0003231000000000, -0.0008291700000000 ] - [ -0.0000659800000000, -0.0003116800000000, -0.0008305300000000 ] - [ -0.0000667100000000, 0.0004470200000000, -0.0008307500000000 ] - [ -0.0000666400000000, -0.0004273600000000, -0.0008290500000000 ] - [ -0.0000781900000000, 0.0007392300000000, -0.0008271700000000 ] - [ -0.0000644900000000, -0.0007273300000000, -0.0008294700000000 ] - [ 0.0018857700000000, 0.0006817500000000, -0.0031805800000000 ] - [ -0.0014429000000000, -0.0039325600000000, 0.0030030200000000 ] - [ -0.0003156000000000, -0.0004959300000000, -0.0002217800000000 ] - [ -0.0002979200000000, -0.0009588400000000, -0.0000565300000000 ] - [ -0.0008986500000000, 0.0002489200000000, -0.0009629000000000 ] - [ -0.0003641100000000, -0.0033229200000000, -0.0009824700000000 ] - [ 0.0008447700000000, -0.0024670600000000, -0.0032804100000000 ] - [ -0.0024940000000000, 0.0021084600000000, 0.0028995000000000 ] - [ -0.0003094600000000, 0.0005079500000000, -0.0002085800000000 ] - [ -0.0002923000000000, 0.0009670700000000, -0.0000453200000000 ] - [ -0.0002397000000000, -0.0018411400000000, 0.0007397700000000 ] - [ 0.0002588600000000, 0.0016171200000000, 0.0005349700000000 ] - [ 0.0006785900000000, 0.0004089300000000, 0.0005070000000000 ] - [ 0.0006793100000000, -0.0003527200000000, 0.0005062900000000 ] - [ 0.0006773300000000, 0.0005986100000000, 0.0005057800000000 ] - [ 0.0006798100000000, -0.0004851700000000, 0.0005080500000000 ] - [ 0.0006806700000000, 0.0017921900000000, 0.0005029400000000 ] - [ 0.0006867000000000, -0.0014797400000000, 0.0005104100000000 ] - [ 0.0032259700000000, 0.0020059500000000, -0.0029386700000000 ] - [ -0.0032237200000000, 0.0016996600000000, 0.0046101000000000 ] - [ 0.0003189100000000, -0.0000101700000000, 0.0004462000000000 ] - [ -0.0001837400000000, -0.0000121100000000, 0.0012117900000000 ] - [ -0.0011871400000000, -0.0009547000000000, 0.0031096400000000 ] - [ 0.0013238000000000, -0.0009650800000000, -0.0014512600000000 ] - [ 0.0008986500000000, 0.0002489200000000, 0.0009629000000000 ] - [ 0.0003641100000000, -0.0033229200000000, 0.0009824700000000 ] - [ 0.0003156000000000, -0.0004959300000000, 0.0002217800000000 ] - [ 0.0002979200000000, -0.0009588400000000, 0.0000565300000000 ] - [ -0.0018857700000000, 0.0006817500000000, 0.0031805800000000 ] - [ 0.0014429000000000, -0.0039325600000000, -0.0030030200000000 ] - [ -0.0006806700000000, 0.0017921900000000, -0.0005029400000000 ] - [ -0.0006867000000000, -0.0014797400000000, -0.0005104100000000 ] - [ -0.0006773300000000, 0.0005986100000000, -0.0005057800000000 ] - [ -0.0006798100000000, -0.0004851700000000, -0.0005080500000000 ] - [ -0.0006785900000000, 0.0004089300000000, -0.0005070000000000 ] - [ -0.0006793100000000, -0.0003527200000000, -0.0005062900000000 ] - [ 0.0002397000000000, -0.0018411400000000, -0.0007397700000000 ] - [ -0.0002588600000000, 0.0016171200000000, -0.0005349700000000 ] - [ 0.0003094600000000, 0.0005079500000000, 0.0002085800000000 ] - [ 0.0002923000000000, 0.0009670700000000, 0.0000453200000000 ] - [ -0.0008447700000000, -0.0024670600000000, 0.0032804100000000 ] - [ 0.0024940000000000, 0.0021084600000000, -0.0028995000000000 ] - [ 0.0011871400000000, -0.0009547000000000, -0.0031096400000000 ] - [ -0.0013238000000000, -0.0009650800000000, 0.0014512600000000 ] - [ -0.0003189100000000, -0.0000101700000000, -0.0004462000000000 ] - [ 0.0001837400000000, -0.0000121100000000, -0.0012117900000000 ] - [ -0.0032259700000000, 0.0020059500000000, 0.0029386700000000 ] - [ 0.0032237200000000, 0.0016996600000000, -0.0046101000000000 ] - [ -0.0004292100000000, -0.0016168900000000, 0.0000543900000000 ] - [ -0.0001411700000000, 0.0003159200000000, -0.0004528400000000 ] - [ -0.0002865700000000, -0.0010959400000000, -0.0000588300000000 ] - [ -0.0003270700000000, -0.0003628200000000, -0.0002144800000000 ] - [ -0.0003518700000000, -0.0012867400000000, 0.0001774400000000 ] - [ -0.0002485400000000, -0.0001596700000000, -0.0004556700000000 ] - [ -0.0004544400000000, 0.0017973400000000, 0.0002013900000000 ] - [ -0.0001827800000000, -0.0001557900000000, -0.0003252100000000 ] - [ -0.0002808000000000, 0.0011037700000000, -0.0000504900000000 ] - [ -0.0003220700000000, 0.0003675100000000, -0.0002086200000000 ] - [ -0.0003605300000000, 0.0013069800000000, 0.0001891300000000 ] - [ -0.0002569900000000, 0.0001771300000000, -0.0004434300000000 ] - [ -0.0014650000000000, -0.0008311600000000, -0.0013934000000000 ] - [ 0.0028216200000000, -0.0008404500000000, 0.0024067300000000 ] - [ 0.0006206000000000, 0.0000010800000000, 0.0005456000000000 ] - [ 0.0007348100000000, 0.0000001900000000, 0.0004673100000000 ] - [ -0.0034895100000000, -0.0002433500000000, 0.0002437100000000 ] - [ 0.0048227200000000, -0.0002494300000000, 0.0007705500000000 ] - [ 0.0000781900000000, 0.0007392300000000, 0.0008271700000000 ] - [ 0.0000644900000000, -0.0007273300000000, 0.0008294700000000 ] - [ 0.0000667100000000, 0.0004470200000000, 0.0008307500000000 ] - [ 0.0000666400000000, -0.0004273600000000, 0.0008290500000000 ] - [ 0.0000665300000000, 0.0003231000000000, 0.0008291700000000 ] - [ 0.0000659800000000, -0.0003116800000000, 0.0008305300000000 ]- atom: 1 displacement: [ -0.0037734251549958, 0.0000000000000000, 0.0092607376919792 ] forces: - [ 0.0066890800000000, 0.0000000000000000, -0.0417930000000000 ] - [ 0.0026110000000000, 0.0000000000000000, -0.0064893100000000 ] - [ -0.0030768400000000, 0.0000000000000000, 0.0082998700000000 ] - [ -0.0011861300000000, 0.0000000000000000, 0.0027570400000000 ] - [ -0.0030592900000000, 0.0000000000000000, 0.0082582100000000 ] - [ -0.0011840900000000, 0.0000000000000000, 0.0027625500000000 ] - [ -0.0025111300000000, -0.0000030600000000, -0.0019356000000000 ] - [ -0.0025111300000000, 0.0000030600000000, -0.0019356000000000 ] - [ 0.0015106400000000, 0.0001893100000000, 0.0010785100000000 ] - [ 0.0015106400000000, -0.0001893100000000, 0.0010785100000000 ] - [ 0.0015112400000000, -0.0001900400000000, 0.0010884000000000 ] - [ 0.0015112400000000, 0.0001900400000000, 0.0010884000000000 ] - [ -0.0028355400000000, 0.0000000000000000, -0.0001860500000000 ] - [ -0.0017656900000000, 0.0000000000000000, -0.0000670600000000 ] - [ 0.0019121400000000, 0.0000000000000000, 0.0031098700000000 ] - [ 0.0006088500000000, 0.0000000000000000, 0.0018443800000000 ] - [ -0.0024465800000000, 0.0000000000000000, -0.0041745100000000 ] - [ -0.0010448800000000, 0.0000000000000000, -0.0021574800000000 ] - [ -0.0044026800000000, 0.0086873200000000, -0.0039942800000000 ] - [ -0.0044026800000000, -0.0086873200000000, -0.0039942800000000 ] - [ -0.0005841600000000, -0.0001592200000000, 0.0033706500000000 ] - [ -0.0005841600000000, 0.0001592200000000, 0.0033706500000000 ] - [ 0.0037416500000000, -0.0117351200000000, 0.0082307300000000 ] - [ 0.0037416500000000, 0.0117351200000000, 0.0082307300000000 ] - [ 0.0022858200000000, 0.0117819400000000, 0.0080130100000000 ] - [ 0.0022858200000000, -0.0117819400000000, 0.0080130100000000 ] - [ -0.0020561800000000, 0.0001651800000000, 0.0031304800000000 ] - [ -0.0020561800000000, -0.0001651800000000, 0.0031304800000000 ] - [ -0.0059022800000000, -0.0086320700000000, -0.0041481100000000 ] - [ -0.0059022800000000, 0.0086320700000000, -0.0041481100000000 ] - [ -0.0010463800000000, 0.0000000000000000, -0.0039731000000000 ] - [ 0.0004285600000000, 0.0000000000000000, -0.0019186600000000 ] - [ 0.0034058600000000, 0.0000000000000000, 0.0033585300000000 ] - [ 0.0020923100000000, 0.0000000000000000, 0.0020879300000000 ] - [ -0.0013422700000000, 0.0000000000000000, 0.0000701400000000 ] - [ -0.0002826700000000, 0.0000000000000000, 0.0001838600000000 ] - [ 0.0006186000000000, -0.0006798900000000, 0.0002886800000000 ] - [ 0.0008519800000000, -0.0005220100000000, 0.0003852400000000 ] - [ -0.0000218700000000, -0.0010651100000000, -0.0007210200000000 ] - [ -0.0002530200000000, -0.0013711300000000, -0.0010814900000000 ] - [ 0.0002765400000000, -0.0004288100000000, 0.0008256000000000 ] - [ 0.0004432000000000, -0.0000130700000000, 0.0014270100000000 ] - [ 0.0021485100000000, -0.0008584300000000, 0.0013423400000000 ] - [ 0.0021485100000000, 0.0008584300000000, 0.0013423400000000 ] - [ -0.0006437800000000, 0.0000060800000000, -0.0011478100000000 ] - [ -0.0006437800000000, -0.0000060800000000, -0.0011478100000000 ] - [ -0.0039109400000000, 0.0015069300000000, -0.0028482400000000 ] - [ -0.0039109400000000, -0.0015069300000000, -0.0028482400000000 ] - [ 0.0008519800000000, 0.0005220100000000, 0.0003852400000000 ] - [ 0.0006186000000000, 0.0006798900000000, 0.0002886800000000 ] - [ -0.0002530200000000, 0.0013711300000000, -0.0010814900000000 ] - [ -0.0000218700000000, 0.0010651100000000, -0.0007210200000000 ] - [ 0.0004432000000000, 0.0000130700000000, 0.0014270100000000 ] - [ 0.0002765400000000, 0.0004288100000000, 0.0008256000000000 ] - [ 0.0004481400000000, 0.0000000000000000, -0.0011849900000000 ] - [ 0.0001876300000000, 0.0000000000000000, -0.0010591800000000 ] - [ -0.0007846100000000, 0.0000000000000000, -0.0014139700000000 ] - [ -0.0004311800000000, 0.0000000000000000, -0.0012241000000000 ] - [ 0.0002539100000000, 0.0000000000000000, 0.0000161600000000 ] - [ -0.0000201600000000, 0.0000000000000000, -0.0002133900000000 ] - [ 0.0025874600000000, -0.0051865800000000, 0.0003483400000000 ] - [ -0.0000136500000000, 0.0012441600000000, -0.0002691800000000 ] - [ -0.0000720000000000, 0.0000407400000000, -0.0018374700000000 ] - [ -0.0000899800000000, -0.0002428800000000, -0.0014410100000000 ] - [ -0.0002171200000000, 0.0008916800000000, 0.0032931200000000 ] - [ -0.0005291200000000, -0.0042832500000000, 0.0008106400000000 ] - [ -0.0000136500000000, -0.0012441600000000, -0.0002691800000000 ] - [ 0.0025874600000000, 0.0051865800000000, 0.0003483400000000 ] - [ -0.0000899800000000, 0.0002428800000000, -0.0014410100000000 ] - [ -0.0000720000000000, -0.0000407400000000, -0.0018374700000000 ] - [ -0.0005291200000000, 0.0042832500000000, 0.0008106400000000 ] - [ -0.0002171200000000, -0.0008916800000000, 0.0032931200000000 ] - [ 0.0021660700000000, 0.0000000000000000, 0.0004494700000000 ] - [ 0.0013721700000000, 0.0000000000000000, 0.0004622000000000 ] - [ -0.0010686800000000, 0.0000000000000000, -0.0013781000000000 ] - [ -0.0001917400000000, 0.0000000000000000, -0.0004016900000000 ] - [ -0.0009025800000000, 0.0000000000000000, 0.0021963200000000 ] - [ 0.0009009400000000, 0.0000000000000000, 0.0014902100000000 ] - [ -0.0011542700000000, -0.0006292100000000, 0.0036500300000000 ] - [ -0.0011542700000000, 0.0006292100000000, 0.0036500300000000 ] - [ 0.0014313600000000, -0.0002466300000000, -0.0007359100000000 ] - [ 0.0014313600000000, 0.0002466300000000, -0.0007359100000000 ] - [ 0.0011137600000000, 0.0018560100000000, -0.0016790500000000 ] - [ 0.0011137600000000, -0.0018560100000000, -0.0016790500000000 ] - [ 0.0004812800000000, -0.0021475900000000, 0.0038692800000000 ] - [ 0.0000837600000000, 0.0028427700000000, 0.0010894500000000 ] - [ 0.0005395600000000, -0.0015022700000000, -0.0015724000000000 ] - [ 0.0005227200000000, -0.0012122600000000, -0.0011720900000000 ] - [ 0.0031990300000000, 0.0036977300000000, 0.0005769200000000 ] - [ 0.0006036600000000, -0.0026978200000000, -0.0000166000000000 ] - [ -0.0022347100000000, 0.0000000000000000, 0.0012237000000000 ] - [ -0.0004310500000000, 0.0000000000000000, 0.0004926500000000 ] - [ -0.0024141600000000, 0.0000000000000000, -0.0023858500000000 ] - [ -0.0015306600000000, 0.0000000000000000, -0.0014024800000000 ] - [ 0.0008180800000000, 0.0000000000000000, -0.0005555000000000 ] - [ 0.0000318200000000, 0.0000000000000000, -0.0005414000000000 ] - [ 0.0000837600000000, -0.0028427700000000, 0.0010894500000000 ] - [ 0.0004812800000000, 0.0021475900000000, 0.0038692800000000 ] - [ 0.0005227200000000, 0.0012122600000000, -0.0011720900000000 ] - [ 0.0005395600000000, 0.0015022700000000, -0.0015724000000000 ] - [ 0.0006036600000000, 0.0026978200000000, -0.0000166000000000 ] - [ 0.0031990300000000, -0.0036977300000000, 0.0005769200000000 ] - [ 0.0009720600000000, -0.0018626800000000, -0.0033320300000000 ] - [ 0.0009720600000000, 0.0018626800000000, -0.0033320300000000 ] - [ 0.0012916400000000, 0.0002434400000000, -0.0023880700000000 ] - [ 0.0012916400000000, -0.0002434400000000, -0.0023880700000000 ] - [ -0.0012547600000000, 0.0006598000000000, 0.0019664600000000 ] - [ -0.0012547600000000, -0.0006598000000000, 0.0019664600000000 ] - [ -0.0003355400000000, -0.0010283700000000, 0.0005600100000000 ] - [ -0.0001584500000000, -0.0014567400000000, 0.0011747100000000 ] - [ -0.0006361300000000, -0.0003918000000000, -0.0009905200000000 ] - [ -0.0008687400000000, -0.0000837600000000, -0.0013528300000000 ] - [ 0.0000041400000000, -0.0007757100000000, 0.0000165900000000 ] - [ 0.0002350700000000, -0.0009321900000000, 0.0001107900000000 ] - [ -0.0001584500000000, 0.0014567400000000, 0.0011747100000000 ] - [ -0.0003355400000000, 0.0010283700000000, 0.0005600100000000 ] - [ -0.0008687400000000, 0.0000837600000000, -0.0013528300000000 ] - [ -0.0006361300000000, 0.0003918000000000, -0.0009905200000000 ] - [ 0.0002350700000000, 0.0009321900000000, 0.0001107900000000 ] - [ 0.0000041400000000, 0.0007757100000000, 0.0000165900000000 ] - [ -0.0025800900000000, -0.0015093400000000, -0.0018491500000000 ] - [ -0.0025800900000000, 0.0015093400000000, -0.0018491500000000 ] - [ 0.0006881600000000, -0.0000069700000000, -0.0001501000000000 ] - [ 0.0006881600000000, 0.0000069700000000, -0.0001501000000000 ] - [ 0.0034873300000000, 0.0008545100000000, 0.0023289400000000 ] - [ 0.0034873300000000, -0.0008545100000000, 0.0023289400000000 ] - [ 0.0004110900000000, 0.0000000000000000, 0.0016638200000000 ] - [ 0.0001165000000000, 0.0000000000000000, 0.0014402600000000 ] - [ -0.0006522500000000, 0.0000000000000000, 0.0002408800000000 ] - [ -0.0002959100000000, 0.0000000000000000, 0.0004299200000000 ] - [ 0.0005824200000000, 0.0000000000000000, 0.0004650200000000 ] - [ 0.0003249000000000, 0.0000000000000000, 0.0005908500000000 ]- atom: 13 displacement: [ 0.0099999527214042, 0.0000000000000000, -0.0000307501167644 ] forces: - [ 0.0031450200000000, 0.0000000000000000, -0.0009797800000000 ] - [ 0.0015710400000000, 0.0000000000000000, -0.0004684900000000 ] - [ 0.0214123200000000, 0.0000000000000000, 0.0068650100000000 ] - [ 0.0017580100000000, 0.0000000000000000, 0.0003921000000000 ] - [ -0.0004690900000000, 0.0000000000000000, 0.0026705400000000 ] - [ -0.0002762500000000, 0.0000000000000000, 0.0013395300000000 ] - [ -0.0025939600000000, -0.0016303000000000, 0.0021890900000000 ] - [ -0.0025939600000000, 0.0016303000000000, 0.0021890900000000 ] - [ 0.0046490500000000, -0.0127541100000000, -0.0036501800000000 ] - [ 0.0046490500000000, 0.0127541100000000, -0.0036501800000000 ] - [ 0.0006892900000000, -0.0003252500000000, -0.0011525600000000 ] - [ 0.0006892900000000, 0.0003252500000000, -0.0011525600000000 ] - [ -0.3667721000000000, 0.0000000000000000, -0.0312957000000000 ] - [ -0.0050027900000000, 0.0000000000000000, -0.0007608000000000 ] - [ -0.0021731900000000, 0.0000000000000000, -0.0059918400000000 ] - [ -0.0018577400000000, 0.0000000000000000, -0.0020023800000000 ] - [ -0.0021756000000000, 0.0000000000000000, -0.0020323600000000 ] - [ -0.0018605700000000, 0.0000000000000000, -0.0007725900000000 ] - [ 0.0008017600000000, 0.0055000800000000, -0.0051222000000000 ] - [ 0.0008017600000000, -0.0055000800000000, -0.0051222000000000 ] - [ -0.0055946100000000, 0.0061189800000000, 0.0040429000000000 ] - [ -0.0055946100000000, -0.0061189800000000, 0.0040429000000000 ] - [ -0.0001640000000000, -0.0000108500000000, -0.0003009900000000 ] - [ -0.0001640000000000, 0.0000108500000000, -0.0003009900000000 ] - [ 0.0043316700000000, 0.0004386300000000, -0.0000708200000000 ] - [ 0.0043316700000000, -0.0004386300000000, -0.0000708200000000 ] - [ 0.0007210600000000, 0.0012733900000000, 0.0020476600000000 ] - [ 0.0007210600000000, -0.0012733900000000, 0.0020476600000000 ] - [ 0.0007207900000000, -0.0002292400000000, 0.0010061700000000 ] - [ 0.0007207900000000, 0.0002292400000000, 0.0010061700000000 ] - [ 0.0072903100000000, 0.0000000000000000, 0.0095772800000000 ] - [ 0.0014762300000000, 0.0000000000000000, 0.0023555700000000 ] - [ 0.0081893400000000, 0.0000000000000000, -0.0021263500000000 ] - [ 0.0038592300000000, 0.0000000000000000, -0.0005804300000000 ] - [ 0.0014784900000000, 0.0000000000000000, 0.0010169000000000 ] - [ 0.0013707900000000, 0.0000000000000000, 0.0007377900000000 ] - [ 0.0013166200000000, -0.0002136600000000, 0.0003279200000000 ] - [ 0.0438266700000000, 0.0111046400000000, 0.0069771100000000 ] - [ 0.0007301200000000, 0.0000592000000000, 0.0012499600000000 ] - [ 0.0002228900000000, -0.0005162900000000, 0.0030475200000000 ] - [ 0.0005253300000000, -0.0006035600000000, 0.0004299200000000 ] - [ 0.0005866400000000, -0.0003760200000000, 0.0007249800000000 ] - [ 0.0011448900000000, -0.0007875400000000, 0.0008911700000000 ] - [ 0.0011448900000000, 0.0007875400000000, 0.0008911700000000 ] - [ 0.0051168900000000, -0.0007054200000000, 0.0002180400000000 ] - [ 0.0051168900000000, 0.0007054200000000, 0.0002180400000000 ] - [ -0.0001391500000000, 0.0000595500000000, -0.0000726600000000 ] - [ -0.0001391500000000, -0.0000595500000000, -0.0000726600000000 ] - [ 0.0438266700000000, -0.0111046400000000, 0.0069771100000000 ] - [ 0.0013166200000000, 0.0002136600000000, 0.0003279200000000 ] - [ 0.0002228900000000, 0.0005162900000000, 0.0030475200000000 ] - [ 0.0007301200000000, -0.0000592000000000, 0.0012499600000000 ] - [ 0.0005866400000000, 0.0003760200000000, 0.0007249800000000 ] - [ 0.0005253300000000, 0.0006035600000000, 0.0004299200000000 ] - [ 0.0947935100000000, 0.0000000000000000, -0.0533728600000000 ] - [ 0.0017826000000000, 0.0000000000000000, -0.0014017400000000 ] - [ -0.0007077600000000, 0.0000000000000000, 0.0005527300000000 ] - [ -0.0001815700000000, 0.0000000000000000, -0.0003127600000000 ] - [ 0.0009555500000000, 0.0000000000000000, -0.0003955200000000 ] - [ 0.0005213700000000, 0.0000000000000000, -0.0008826500000000 ] - [ -0.0020270900000000, -0.0044758400000000, 0.0034352000000000 ] - [ -0.0005269800000000, 0.0005495600000000, 0.0002492200000000 ] - [ 0.0007522600000000, -0.0024569400000000, -0.0023508900000000 ] - [ 0.0005086000000000, 0.0006165200000000, -0.0011599400000000 ] - [ -0.0002317300000000, -0.0008328400000000, 0.0000910700000000 ] - [ -0.0002237700000000, -0.0007934300000000, 0.0000320300000000 ] - [ -0.0005269800000000, -0.0005495600000000, 0.0002492200000000 ] - [ -0.0020270900000000, 0.0044758400000000, 0.0034352000000000 ] - [ 0.0005086000000000, -0.0006165200000000, -0.0011599400000000 ] - [ 0.0007522600000000, 0.0024569400000000, -0.0023508900000000 ] - [ -0.0002237700000000, 0.0007934300000000, 0.0000320300000000 ] - [ -0.0002317300000000, 0.0008328400000000, 0.0000910700000000 ] - [ 0.1622151200000000, 0.0000000000000000, 0.0659221000000000 ] - [ 0.0028614400000000, 0.0000000000000000, 0.0013456600000000 ] - [ 0.0027412900000000, 0.0000000000000000, 0.0017650600000000 ] - [ 0.0017625000000000, 0.0000000000000000, 0.0010708500000000 ] - [ 0.0012889700000000, 0.0000000000000000, 0.0015184800000000 ] - [ 0.0011758800000000, 0.0000000000000000, 0.0009673800000000 ] - [ -0.0010863000000000, -0.0007839500000000, 0.0024720000000000 ] - [ -0.0010863000000000, 0.0007839500000000, 0.0024720000000000 ] - [ 0.0010220500000000, -0.0033993500000000, -0.0016613500000000 ] - [ 0.0010220500000000, 0.0033993500000000, -0.0016613500000000 ] - [ 0.0004878300000000, -0.0000307800000000, 0.0006051100000000 ] - [ 0.0004878300000000, 0.0000307800000000, 0.0006051100000000 ] - [ -0.0011311100000000, -0.0011351200000000, 0.0001593400000000 ] - [ -0.0006042600000000, -0.0007058400000000, 0.0001606200000000 ] - [ -0.0004234200000000, -0.0020626200000000, -0.0015759400000000 ] - [ -0.0000814500000000, -0.0006064600000000, -0.0004315200000000 ] - [ 0.0000098000000000, -0.0009521500000000, -0.0004108300000000 ] - [ 0.0000411100000000, -0.0010204300000000, -0.0003157100000000 ] - [ -0.0041369300000000, 0.0000000000000000, -0.0027514400000000 ] - [ -0.0017834900000000, 0.0000000000000000, -0.0012109100000000 ] - [ -0.0056304400000000, 0.0000000000000000, -0.0017086300000000 ] - [ -0.0024186100000000, 0.0000000000000000, -0.0009509300000000 ] - [ -0.0013099400000000, 0.0000000000000000, -0.0010261400000000 ] - [ -0.0011577700000000, 0.0000000000000000, -0.0008788500000000 ] - [ -0.0006042600000000, 0.0007058400000000, 0.0001606200000000 ] - [ -0.0011311100000000, 0.0011351200000000, 0.0001593400000000 ] - [ -0.0000814500000000, 0.0006064600000000, -0.0004315200000000 ] - [ -0.0004234200000000, 0.0020626200000000, -0.0015759400000000 ] - [ 0.0000411100000000, 0.0010204300000000, -0.0003157100000000 ] - [ 0.0000098000000000, 0.0009521500000000, -0.0004108300000000 ] - [ -0.0023533800000000, -0.0007915200000000, 0.0000062500000000 ] - [ -0.0023533800000000, 0.0007915200000000, 0.0000062500000000 ] - [ -0.0000897200000000, -0.0002455100000000, -0.0014723300000000 ] - [ -0.0000897200000000, 0.0002455100000000, -0.0014723300000000 ] - [ -0.0006733500000000, 0.0000759800000000, -0.0008633100000000 ] - [ -0.0006733500000000, -0.0000759800000000, -0.0008633100000000 ] - [ -0.0005162700000000, 0.0002202400000000, -0.0011897700000000 ] - [ -0.0026364000000000, -0.0011712700000000, -0.0034452100000000 ] - [ -0.0009137100000000, -0.0006788600000000, 0.0002285600000000 ] - [ -0.0015206000000000, -0.0010389500000000, 0.0006400900000000 ] - [ -0.0003745600000000, -0.0005468000000000, -0.0004579700000000 ] - [ -0.0003136500000000, -0.0005789900000000, -0.0005490800000000 ] - [ -0.0026364000000000, 0.0011712700000000, -0.0034452100000000 ] - [ -0.0005162700000000, -0.0002202400000000, -0.0011897700000000 ] - [ -0.0015206000000000, 0.0010389500000000, 0.0006400900000000 ] - [ -0.0009137100000000, 0.0006788600000000, 0.0002285600000000 ] - [ -0.0003136500000000, 0.0005789900000000, -0.0005490800000000 ] - [ -0.0003745600000000, 0.0005468000000000, -0.0004579700000000 ] - [ -0.0023668500000000, 0.0001262300000000, -0.0003335900000000 ] - [ -0.0023668500000000, -0.0001262300000000, -0.0003335900000000 ] - [ -0.0004963500000000, -0.0001535700000000, -0.0001774700000000 ] - [ -0.0004963500000000, 0.0001535700000000, -0.0001774700000000 ] - [ -0.0001140400000000, 0.0002203900000000, -0.0002362300000000 ] - [ -0.0001140400000000, -0.0002203900000000, -0.0002362300000000 ] - [ 0.0004845900000000, 0.0000000000000000, -0.0017992600000000 ] - [ 0.0004232600000000, 0.0000000000000000, 0.0001929200000000 ] - [ -0.0046365300000000, 0.0000000000000000, 0.0035412800000000 ] - [ -0.0016889000000000, 0.0000000000000000, 0.0017476500000000 ] - [ -0.0001911900000000, 0.0000000000000000, 0.0008361900000000 ] - [ -0.0001436100000000, 0.0000000000000000, 0.0008246800000000 ]- atom: 13 displacement: [ -0.0099999527214042, 0.0000000000000000, 0.0000307501167644 ] forces: - [ -0.0031478900000000, 0.0000000000000000, 0.0009693400000000 ] - [ -0.0015732400000000, 0.0000000000000000, 0.0004647600000000 ] - [ -0.0213421200000000, 0.0000000000000000, -0.0068113100000000 ] - [ -0.0017623200000000, 0.0000000000000000, -0.0003903100000000 ] - [ 0.0004710500000000, 0.0000000000000000, -0.0026697500000000 ] - [ 0.0002784700000000, 0.0000000000000000, -0.0013402300000000 ] - [ 0.0026177300000000, 0.0016076300000000, -0.0021440000000000 ] - [ 0.0026177300000000, -0.0016076300000000, -0.0021440000000000 ] - [ -0.0046281400000000, 0.0127866600000000, 0.0036706800000000 ] - [ -0.0046281400000000, -0.0127866600000000, 0.0036706800000000 ] - [ -0.0006909500000000, 0.0003252300000000, 0.0011596300000000 ] - [ -0.0006909500000000, -0.0003252300000000, 0.0011596300000000 ] - [ 0.3585812500000000, 0.0000000000000000, 0.0174862100000000 ] - [ 0.0035261200000000, 0.0000000000000000, 0.0004868500000000 ] - [ 0.0006971400000000, 0.0000000000000000, 0.0057448200000000 ] - [ 0.0003818000000000, 0.0000000000000000, 0.0017612900000000 ] - [ 0.0006714400000000, 0.0000000000000000, 0.0017988000000000 ] - [ 0.0003724600000000, 0.0000000000000000, 0.0005347600000000 ] - [ 0.0006570400000000, -0.0054600500000000, 0.0053350100000000 ] - [ 0.0006570400000000, 0.0054600500000000, 0.0053350100000000 ] - [ 0.0070476400000000, -0.0061061100000000, -0.0037934800000000 ] - [ 0.0070476400000000, 0.0061061100000000, -0.0037934800000000 ] - [ 0.0016411600000000, 0.0000118100000000, 0.0005438700000000 ] - [ 0.0016411600000000, -0.0000118100000000, 0.0005438700000000 ] - [ -0.0058162700000000, -0.0004326100000000, -0.0001707500000000 ] - [ -0.0058162700000000, 0.0004326100000000, -0.0001707500000000 ] - [ -0.0021983200000000, -0.0012714300000000, -0.0022895800000000 ] - [ -0.0021983200000000, 0.0012714300000000, -0.0022895800000000 ] - [ -0.0021932000000000, 0.0002322500000000, -0.0012545100000000 ] - [ -0.0021932000000000, -0.0002322500000000, -0.0012545100000000 ] - [ -0.0058271800000000, 0.0000000000000000, -0.0094297500000000 ] - [ 0.0000163300000000, 0.0000000000000000, -0.0021206200000000 ] - [ -0.0067223000000000, 0.0000000000000000, 0.0023822700000000 ] - [ -0.0023850800000000, 0.0000000000000000, 0.0008271100000000 ] - [ 0.0000009800000000, 0.0000000000000000, -0.0007653700000000 ] - [ 0.0001077200000000, 0.0000000000000000, -0.0004855400000000 ] - [ -0.0007090200000000, -0.0012290800000000, -0.0000519700000000 ] - [ -0.0429319600000000, -0.0116313500000000, -0.0059667800000000 ] - [ -0.0001233600000000, -0.0015203600000000, -0.0009841800000000 ] - [ 0.0003830200000000, -0.0009464500000000, -0.0027775100000000 ] - [ 0.0000844200000000, -0.0008592500000000, -0.0001668500000000 ] - [ 0.0000249500000000, -0.0010872900000000, -0.0004633900000000 ] - [ -0.0024794900000000, 0.0007838900000000, -0.0018942400000000 ] - [ -0.0024794900000000, -0.0007838900000000, -0.0018942400000000 ] - [ -0.0064620300000000, 0.0007042100000000, -0.0012201300000000 ] - [ -0.0064620300000000, -0.0007042100000000, -0.0012201300000000 ] - [ -0.0012111900000000, -0.0000595900000000, -0.0009371400000000 ] - [ -0.0012111900000000, 0.0000595900000000, -0.0009371400000000 ] - [ -0.0429319600000000, 0.0116313500000000, -0.0059667800000000 ] - [ -0.0007090200000000, 0.0012290800000000, -0.0000519700000000 ] - [ 0.0003830200000000, 0.0009464500000000, -0.0027775100000000 ] - [ -0.0001233600000000, 0.0015203600000000, -0.0009841800000000 ] - [ 0.0000249500000000, 0.0010872900000000, -0.0004633900000000 ] - [ 0.0000844200000000, 0.0008592500000000, -0.0001668500000000 ] - [ -0.0998761300000000, 0.0000000000000000, 0.0570030900000000 ] - [ -0.0019264400000000, 0.0000000000000000, -0.0002490200000000 ] - [ 0.0005744500000000, 0.0000000000000000, -0.0022149900000000 ] - [ 0.0000487500000000, 0.0000000000000000, -0.0013502200000000 ] - [ -0.0010728600000000, 0.0000000000000000, -0.0012805500000000 ] - [ -0.0006507400000000, 0.0000000000000000, -0.0007819000000000 ] - [ 0.0014059600000000, 0.0029847900000000, -0.0036796600000000 ] - [ -0.0000774700000000, -0.0020028900000000, -0.0005145400000000 ] - [ -0.0013576800000000, 0.0009903300000000, 0.0020825700000000 ] - [ -0.0011129700000000, -0.0020754200000000, 0.0008929800000000 ] - [ -0.0003754300000000, -0.0006289300000000, -0.0003569300000000 ] - [ -0.0003835900000000, -0.0006670700000000, -0.0002986300000000 ] - [ -0.0000774700000000, 0.0020028900000000, -0.0005145400000000 ] - [ 0.0014059600000000, -0.0029847900000000, -0.0036796600000000 ] - [ -0.0011129700000000, 0.0020754200000000, 0.0008929800000000 ] - [ -0.0013576800000000, -0.0009903300000000, 0.0020825700000000 ] - [ -0.0003835900000000, 0.0006670700000000, -0.0002986300000000 ] - [ -0.0003754300000000, 0.0006289300000000, -0.0003569300000000 ] - [ -0.1498826500000000, 0.0000000000000000, -0.0582862400000000 ] - [ -0.0015007100000000, 0.0000000000000000, -0.0003279900000000 ] - [ -0.0013898100000000, 0.0000000000000000, -0.0007552300000000 ] - [ -0.0004130000000000, 0.0000000000000000, -0.0000621500000000 ] - [ 0.0000760400000000, 0.0000000000000000, -0.0005034200000000 ] - [ 0.0001836700000000, 0.0000000000000000, 0.0000440800000000 ] - [ 0.0012227200000000, 0.0007780200000000, -0.0008055700000000 ] - [ 0.0012227200000000, -0.0007780200000000, -0.0008055700000000 ] - [ -0.0008821400000000, 0.0033890800000000, 0.0033096700000000 ] - [ -0.0008821400000000, -0.0033890800000000, 0.0033096700000000 ] - [ -0.0003538700000000, 0.0000304600000000, 0.0010560400000000 ] - [ -0.0003538700000000, -0.0000304600000000, 0.0010560400000000 ] - [ 0.0017398100000000, -0.0003279700000000, 0.0001063900000000 ] - [ 0.0012138700000000, -0.0007520100000000, 0.0001076300000000 ] - [ 0.0010304300000000, 0.0005991600000000, 0.0018396400000000 ] - [ 0.0006891600000000, -0.0008544700000000, 0.0006972600000000 ] - [ 0.0005971800000000, -0.0005087300000000, 0.0006800000000000 ] - [ 0.0005657700000000, -0.0004387300000000, 0.0005849400000000 ] - [ 0.0027957700000000, 0.0000000000000000, 0.0017567800000000 ] - [ 0.0004294700000000, 0.0000000000000000, 0.0002023400000000 ] - [ 0.0042835700000000, 0.0000000000000000, 0.0006978100000000 ] - [ 0.0010687000000000, 0.0000000000000000, -0.0000598500000000 ] - [ -0.0000457400000000, 0.0000000000000000, 0.0000144500000000 ] - [ -0.0001979200000000, 0.0000000000000000, -0.0001331600000000 ] - [ 0.0012138700000000, 0.0007520100000000, 0.0001076300000000 ] - [ 0.0017398100000000, 0.0003279700000000, 0.0001063900000000 ] - [ 0.0006891600000000, 0.0008544700000000, 0.0006972600000000 ] - [ 0.0010304300000000, -0.0005991600000000, 0.0018396400000000 ] - [ 0.0005657700000000, 0.0004387300000000, 0.0005849400000000 ] - [ 0.0005971800000000, 0.0005087300000000, 0.0006800000000000 ] - [ 0.0022204700000000, 0.0007895600000000, -0.0016691300000000 ] - [ 0.0022204700000000, -0.0007895600000000, -0.0016691300000000 ] - [ -0.0000459300000000, 0.0002449800000000, -0.0001877100000000 ] - [ -0.0000459300000000, -0.0002449800000000, -0.0001877100000000 ] - [ 0.0005380100000000, -0.0000774800000000, -0.0007950400000000 ] - [ 0.0005380100000000, 0.0000774800000000, -0.0007950400000000 ] - [ -0.0000965800000000, -0.0016829400000000, 0.0009252900000000 ] - [ 0.0020422500000000, -0.0002803700000000, 0.0032089000000000 ] - [ 0.0003068900000000, -0.0007812900000000, -0.0004974900000000 ] - [ 0.0009143000000000, -0.0004191300000000, -0.0009115900000000 ] - [ -0.0002346500000000, -0.0009100100000000, 0.0001843400000000 ] - [ -0.0002956900000000, -0.0008786800000000, 0.0002773900000000 ] - [ 0.0020422500000000, 0.0002803700000000, 0.0032089000000000 ] - [ -0.0000965800000000, 0.0016829400000000, 0.0009252900000000 ] - [ 0.0009143000000000, 0.0004191300000000, -0.0009115900000000 ] - [ 0.0003068900000000, 0.0007812900000000, -0.0004974900000000 ] - [ -0.0002956900000000, 0.0008786800000000, 0.0002773900000000 ] - [ -0.0002346500000000, 0.0009100100000000, 0.0001843400000000 ] - [ 0.0037222700000000, -0.0001283700000000, 0.0013423500000000 ] - [ 0.0037222700000000, 0.0001283700000000, 0.0013423500000000 ] - [ 0.0018500700000000, 0.0001532100000000, 0.0011869000000000 ] - [ 0.0018500700000000, -0.0001532100000000, 0.0011869000000000 ] - [ 0.0014579900000000, -0.0002221000000000, 0.0012465700000000 ] - [ 0.0014579900000000, 0.0002221000000000, 0.0012465700000000 ] - [ -0.0003816500000000, 0.0000000000000000, 0.0034809100000000 ] - [ -0.0002998900000000, 0.0000000000000000, 0.0014735500000000 ] - [ 0.0047739000000000, 0.0000000000000000, -0.0018919300000000 ] - [ 0.0018240800000000, 0.0000000000000000, -0.0000881500000000 ] - [ 0.0003273700000000, 0.0000000000000000, 0.0008215900000000 ] - [ 0.0002807700000000, 0.0000000000000000, 0.0008323700000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000001000000000, -0.0013553500000000, 0.0000011300000000 ] - [ 0.0000006400000000, 0.0012713600000000, -0.0000004400000000 ] - [ -0.0000259400000000, -0.0029554600000000, -0.0000072900000000 ] - [ 0.0000077000000000, 0.0025442900000000, 0.0000019800000000 ] - [ -0.0000003800000000, -0.0010794800000000, -0.0000020700000000 ] - [ 0.0000018200000000, 0.0010472500000000, 0.0000032200000000 ] - [ -0.0037224700000000, 0.0069110600000000, -0.0142255600000000 ] - [ 0.0037146300000000, 0.0069073200000000, 0.0141990300000000 ] - [ -0.0084837600000000, 0.0037145400000000, 0.0059192200000000 ] - [ 0.0084297600000000, 0.0037462000000000, -0.0058916400000000 ] - [ 0.0000068400000000, -0.0000109600000000, -0.0001729600000000 ] - [ -0.0000081000000000, -0.0000073300000000, 0.0001713500000000 ] - [ 0.0006859600000000, -0.3629781600000000, 0.0071003600000000 ] - [ -0.0007377700000000, 0.0139140600000000, -0.0001115600000000 ] - [ -0.0007362900000000, -0.0020473900000000, -0.0001313200000000 ] - [ -0.0007393600000000, 0.0020622000000000, -0.0001189400000000 ] - [ -0.0007357800000000, -0.0020473700000000, -0.0001239100000000 ] - [ -0.0007377300000000, 0.0020621800000000, -0.0001251100000000 ] - [ 0.0062255000000000, 0.0013049300000000, 0.0001155700000000 ] - [ -0.0047338500000000, 0.0013195400000000, 0.0001303700000000 ] - [ 0.0068977200000000, 0.0007939400000000, 0.0059856500000000 ] - [ -0.0053630700000000, 0.0008248200000000, -0.0056984700000000 ] - [ 0.0007252000000000, -0.0000018300000000, 0.0002391300000000 ] - [ 0.0007472100000000, 0.0000001800000000, 0.0000039300000000 ] - [ -0.0011746800000000, 0.0000936000000000, -0.0004046700000000 ] - [ -0.0003017000000000, 0.0000993400000000, 0.0001634300000000 ] - [ -0.0005044200000000, -0.0000022700000000, 0.0000542800000000 ] - [ -0.0009668600000000, 0.0000058700000000, -0.0002994500000000 ] - [ -0.0020111500000000, 0.0000012000000000, -0.0010131400000000 ] - [ 0.0005386900000000, 0.0000024100000000, 0.0007690800000000 ] - [ 0.0007424100000000, -0.0114546100000000, 0.0001287800000000 ] - [ 0.0007347900000000, 0.0045548600000000, 0.0001175700000000 ] - [ 0.0007404100000000, -0.0009817000000000, 0.0001150000000000 ] - [ 0.0007357200000000, 0.0010169100000000, 0.0001240300000000 ] - [ 0.0007376400000000, -0.0022466500000000, 0.0001218200000000 ] - [ 0.0007379100000000, 0.0026377100000000, 0.0001233200000000 ] - [ -0.0001599200000000, -0.0084689800000000, -0.0019523700000000 ] - [ 0.0069555100000000, 0.1272253800000000, 0.0565626000000000 ] - [ 0.0003231900000000, -0.0018119100000000, -0.0006644600000000 ] - [ 0.0002586000000000, 0.0003374500000000, 0.0008275100000000 ] - [ 0.0001152100000000, -0.0014900000000000, 0.0001138300000000 ] - [ 0.0004223800000000, 0.0000780100000000, 0.0002464800000000 ] - [ -0.0040483200000000, -0.0009217300000000, 0.0000765800000000 ] - [ 0.0026793100000000, -0.0009222200000000, -0.0010863000000000 ] - [ -0.0035770900000000, -0.0016125800000000, -0.0047635900000000 ] - [ 0.0021861900000000, -0.0016060000000000, 0.0036986800000000 ] - [ -0.0007060000000000, 0.0000024900000000, -0.0005457500000000 ] - [ -0.0006534100000000, 0.0000016200000000, -0.0004671500000000 ] - [ -0.0074699200000000, 0.1366755600000000, -0.0626919500000000 ] - [ 0.0007712100000000, -0.0069855500000000, 0.0022218800000000 ] - [ 0.0003471100000000, 0.0018111500000000, -0.0005577500000000 ] - [ 0.0002869000000000, -0.0003437300000000, 0.0009240200000000 ] - [ 0.0001855700000000, 0.0015457600000000, 0.0000175000000000 ] - [ 0.0004933900000000, -0.0000220700000000, 0.0001498700000000 ] - [ 0.0003135700000000, 0.0467796800000000, -0.0012541600000000 ] - [ -0.0000643400000000, -0.0029266100000000, -0.0008316500000000 ] - [ -0.0000703100000000, 0.0003765100000000, -0.0008264900000000 ] - [ -0.0000679600000000, -0.0003787400000000, -0.0008294000000000 ] - [ -0.0000706700000000, 0.0028101600000000, -0.0008255600000000 ] - [ -0.0000696800000000, -0.0018315500000000, -0.0008257200000000 ] - [ -0.0018669800000000, -0.0001221500000000, -0.0002973900000000 ] - [ 0.0006181400000000, -0.0018979900000000, 0.0003868700000000 ] - [ -0.0012417100000000, 0.0006862500000000, -0.0016515500000000 ] - [ 0.0007352400000000, -0.0023898100000000, 0.0015382500000000 ] - [ -0.0003225600000000, -0.0006084800000000, -0.0001567700000000 ] - [ -0.0002850100000000, -0.0008596100000000, -0.0001064100000000 ] - [ -0.0012298400000000, -0.0004250800000000, -0.0006467300000000 ] - [ 0.0012560200000000, 0.0013323300000000, 0.0000264100000000 ] - [ -0.0013528600000000, -0.0009243200000000, -0.0018111100000000 ] - [ 0.0006273600000000, 0.0021321900000000, 0.0013832300000000 ] - [ -0.0003225100000000, 0.0006098700000000, -0.0001552800000000 ] - [ -0.0002850600000000, 0.0008595200000000, -0.0001052400000000 ] - [ 0.0000567900000000, 0.0404145300000000, 0.0001120100000000 ] - [ 0.0006758800000000, -0.0023705400000000, 0.0005044400000000 ] - [ 0.0006816900000000, 0.0003753400000000, 0.0005088100000000 ] - [ 0.0006809700000000, -0.0003779000000000, 0.0005061800000000 ] - [ 0.0006803300000000, 0.0005872900000000, 0.0005067800000000 ] - [ 0.0006814100000000, -0.0005469400000000, 0.0005082000000000 ] - [ -0.0013685500000000, -0.0001080300000000, 0.0015086900000000 ] - [ 0.0015048900000000, -0.0001105000000000, 0.0001474400000000 ] - [ -0.0014836100000000, -0.0000828700000000, 0.0001417800000000 ] - [ 0.0016074300000000, -0.0000931700000000, 0.0015109600000000 ] - [ 0.0001012100000000, -0.0000002500000000, 0.0006969400000000 ] - [ 0.0000381700000000, -0.0000014100000000, 0.0009588300000000 ] - [ 0.0003023500000000, -0.0004921000000000, 0.0002512600000000 ] - [ 0.0002831500000000, -0.0010220800000000, -0.0000163800000000 ] - [ 0.0001736300000000, -0.0005982300000000, 0.0000790800000000 ] - [ 0.0004326100000000, -0.0008678400000000, 0.0001884300000000 ] - [ 0.0005106800000000, -0.0004088000000000, 0.0004263300000000 ] - [ 0.0000917000000000, -0.0010610200000000, -0.0001678400000000 ] - [ -0.0006802100000000, 0.0013938300000000, -0.0005069400000000 ] - [ -0.0006791200000000, -0.0006519500000000, -0.0005058300000000 ] - [ -0.0006780300000000, 0.0002225500000000, -0.0005051500000000 ] - [ -0.0006812300000000, -0.0002127700000000, -0.0005075300000000 ] - [ -0.0006807400000000, 0.0003561200000000, -0.0005068300000000 ] - [ -0.0006820200000000, -0.0004136000000000, -0.0005077700000000 ] - [ 0.0003242600000000, 0.0004482800000000, 0.0002774800000000 ] - [ 0.0003063200000000, 0.0009740200000000, 0.0000102100000000 ] - [ 0.0001733100000000, 0.0006037100000000, 0.0000719400000000 ] - [ 0.0004341000000000, 0.0008646900000000, 0.0001876500000000 ] - [ 0.0005153400000000, 0.0004085200000000, 0.0004297200000000 ] - [ 0.0000968000000000, 0.0010591700000000, -0.0001636000000000 ] - [ -0.0000839700000000, -0.0000278400000000, -0.0008954900000000 ] - [ -0.0000534600000000, -0.0000325500000000, -0.0007625000000000 ] - [ -0.0001275600000000, -0.0000014800000000, -0.0009031000000000 ] - [ -0.0000131100000000, -0.0000032400000000, -0.0007520800000000 ] - [ 0.0002271200000000, -0.0000028600000000, -0.0007837200000000 ] - [ -0.0003661500000000, -0.0000033500000000, -0.0008725700000000 ] - [ 0.0004353900000000, -0.0030456400000000, 0.0007765700000000 ] - [ -0.0040642900000000, 0.0035352300000000, -0.0021887300000000 ] - [ -0.0001676400000000, -0.0011625900000000, -0.0000742300000000 ] - [ -0.0004275200000000, -0.0003177900000000, -0.0001964200000000 ] - [ -0.0000470000000000, -0.0023697800000000, 0.0012936300000000 ] - [ -0.0004865100000000, 0.0005713600000000, -0.0011605700000000 ] - [ 0.0034631400000000, 0.0050167200000000, 0.0019246900000000 ] - [ -0.0010395400000000, -0.0015753800000000, -0.0010357600000000 ] - [ -0.0001805600000000, 0.0011548600000000, -0.0000617500000000 ] - [ -0.0004394600000000, 0.0003046500000000, -0.0001895800000000 ] - [ -0.0001213400000000, 0.0020398000000000, 0.0008984900000000 ] - [ -0.0005616500000000, -0.0009038100000000, -0.0015596100000000 ] - [ 0.0014933200000000, -0.0000402000000000, 0.0006971700000000 ] - [ -0.0001298000000000, -0.0000418800000000, 0.0003166700000000 ] - [ 0.0006308000000000, 0.0000009300000000, 0.0005032800000000 ] - [ 0.0007296200000000, -0.0000001900000000, 0.0005106800000000 ] - [ 0.0021657900000000, -0.0000065900000000, 0.0012063300000000 ] - [ -0.0008061500000000, -0.0000068500000000, -0.0001922300000000 ] - [ 0.0000719500000000, 0.0043338100000000, 0.0008277000000000 ] - [ 0.0000696600000000, -0.0019794500000000, 0.0008302000000000 ] - [ 0.0000615400000000, 0.0008893600000000, 0.0008321700000000 ] - [ 0.0000709900000000, -0.0009342200000000, 0.0008268200000000 ] - [ 0.0000692500000000, 0.0004135100000000, 0.0008284600000000 ] - [ 0.0000697500000000, -0.0004745700000000, 0.0008275500000000 ]- atom: 13 displacement: [ -0.0037734251549958, 0.0000000000000000, 0.0092607376919792 ] forces: - [ -0.0014533700000000, 0.0000000000000000, 0.0002018600000000 ] - [ -0.0008759000000000, 0.0000000000000000, 0.0001198500000000 ] - [ 0.0006131400000000, 0.0000000000000000, -0.0031058600000000 ] - [ -0.0004703300000000, 0.0000000000000000, -0.0021037100000000 ] - [ 0.0018255100000000, 0.0000000000000000, 0.0028943100000000 ] - [ 0.0009471100000000, 0.0000000000000000, 0.0018011500000000 ] - [ 0.0037040400000000, -0.0069531300000000, 0.0084175100000000 ] - [ 0.0037040400000000, 0.0069531300000000, 0.0084175100000000 ] - [ -0.0056535200000000, 0.0131949400000000, -0.0042820800000000 ] - [ -0.0056535200000000, -0.0131949400000000, -0.0042820800000000 ] - [ -0.0010463200000000, 0.0004022100000000, 0.0033610000000000 ] - [ -0.0010463200000000, -0.0004022100000000, 0.0033610000000000 ] - [ 0.1182223500000000, 0.0000000000000000, -0.3131018100000000 ] - [ 0.0002683600000000, 0.0000000000000000, -0.0077388900000000 ] - [ -0.0019547900000000, 0.0000000000000000, 0.0079046200000000 ] - [ -0.0009145900000000, 0.0000000000000000, 0.0024039600000000 ] - [ -0.0055921000000000, 0.0000000000000000, 0.0063822100000000 ] - [ -0.0020531300000000, 0.0000000000000000, 0.0019418600000000 ] - [ -0.0041270300000000, -0.0020694800000000, -0.0008379000000000 ] - [ -0.0041270300000000, 0.0020694800000000, -0.0008379000000000 ] - [ 0.0067731800000000, 0.0030984500000000, 0.0007753800000000 ] - [ 0.0067731800000000, -0.0030984500000000, 0.0007753800000000 ] - [ 0.0006960900000000, 0.0001147800000000, 0.0022838600000000 ] - [ 0.0006960900000000, -0.0001147800000000, 0.0022838600000000 ] - [ -0.0026132400000000, 0.0000980000000000, -0.0022871500000000 ] - [ -0.0026132400000000, -0.0000980000000000, -0.0022871500000000 ] - [ -0.0002388900000000, 0.0003429700000000, 0.0007728100000000 ] - [ -0.0002388900000000, -0.0003429700000000, 0.0007728100000000 ] - [ 0.0007234800000000, -0.0000757300000000, 0.0011689600000000 ] - [ 0.0007234800000000, 0.0000757300000000, 0.0011689600000000 ] - [ 0.0070458000000000, 0.0000000000000000, -0.0067700500000000 ] - [ 0.0025292600000000, 0.0000000000000000, -0.0021017700000000 ] - [ -0.0041583400000000, 0.0000000000000000, 0.0030609300000000 ] - [ -0.0010897800000000, 0.0000000000000000, 0.0006468700000000 ] - [ 0.0012924600000000, 0.0000000000000000, 0.0036147200000000 ] - [ 0.0010731900000000, 0.0000000000000000, 0.0027394100000000 ] - [ 0.0001678600000000, 0.0020169300000000, 0.0026632500000000 ] - [ -0.0124293800000000, 0.0511061300000000, 0.0756427600000000 ] - [ 0.0003103100000000, -0.0015679300000000, -0.0009349700000000 ] - [ 0.0012782800000000, -0.0007527300000000, -0.0031446300000000 ] - [ 0.0005423100000000, -0.0009882700000000, -0.0009097300000000 ] - [ 0.0009017900000000, -0.0019979900000000, -0.0022102800000000 ] - [ 0.0020507900000000, 0.0010586600000000, -0.0004017000000000 ] - [ 0.0020507900000000, -0.0010586600000000, -0.0004017000000000 ] - [ -0.0039457800000000, -0.0027920600000000, -0.0011263200000000 ] - [ -0.0039457800000000, 0.0027920600000000, -0.0011263200000000 ] - [ -0.0008309500000000, -0.0001099600000000, -0.0013261100000000 ] - [ -0.0008309500000000, 0.0001099600000000, -0.0013261100000000 ] - [ -0.0124293800000000, -0.0511061300000000, 0.0756427600000000 ] - [ 0.0001678600000000, -0.0020169300000000, 0.0026632500000000 ] - [ 0.0012782800000000, 0.0007527300000000, -0.0031446300000000 ] - [ 0.0003103100000000, 0.0015679300000000, -0.0009349700000000 ] - [ 0.0009017900000000, 0.0019979900000000, -0.0022102800000000 ] - [ 0.0005423100000000, 0.0009882700000000, -0.0009097300000000 ] - [ -0.0883317300000000, 0.0000000000000000, 0.1099575200000000 ] - [ -0.0022756800000000, 0.0000000000000000, 0.0020142000000000 ] - [ 0.0016728900000000, 0.0000000000000000, -0.0032708400000000 ] - [ 0.0006288400000000, 0.0000000000000000, -0.0018759800000000 ] - [ 0.0028357900000000, 0.0000000000000000, -0.0056234600000000 ] - [ 0.0008627200000000, 0.0000000000000000, -0.0017949000000000 ] - [ 0.0012488400000000, -0.0005836000000000, 0.0007796200000000 ] - [ 0.0005344800000000, -0.0018265700000000, 0.0009423700000000 ] - [ -0.0016592000000000, -0.0013393600000000, -0.0006665900000000 ] - [ -0.0012899900000000, 0.0004717700000000, -0.0009465800000000 ] - [ -0.0002563000000000, -0.0004103100000000, -0.0009898900000000 ] - [ -0.0002953200000000, -0.0003970100000000, -0.0008740600000000 ] - [ 0.0005344800000000, 0.0018265700000000, 0.0009423700000000 ] - [ 0.0012488400000000, 0.0005836000000000, 0.0007796200000000 ] - [ -0.0012899900000000, -0.0004717700000000, -0.0009465800000000 ] - [ -0.0016592000000000, 0.0013393600000000, -0.0006665900000000 ] - [ -0.0002953200000000, 0.0003970100000000, -0.0008740600000000 ] - [ -0.0002563000000000, 0.0004103100000000, -0.0009898900000000 ] - [ -0.0021692100000000, 0.0000000000000000, 0.0452873300000000 ] - [ 0.0015059800000000, 0.0000000000000000, 0.0023770800000000 ] - [ -0.0004651100000000, 0.0000000000000000, -0.0013928600000000 ] - [ 0.0001980600000000, 0.0000000000000000, -0.0002236300000000 ] - [ 0.0024044900000000, 0.0000000000000000, -0.0001989500000000 ] - [ 0.0012431600000000, 0.0000000000000000, 0.0002026500000000 ] - [ 0.0014351100000000, 0.0002575800000000, 0.0003737000000000 ] - [ 0.0014351100000000, -0.0002575800000000, 0.0003737000000000 ] - [ -0.0016941500000000, -0.0004930200000000, 0.0021846900000000 ] - [ -0.0016941500000000, 0.0004930200000000, 0.0021846900000000 ] - [ 0.0002972100000000, -0.0001365000000000, 0.0000008300000000 ] - [ 0.0002972100000000, 0.0001365000000000, 0.0000008300000000 ] - [ 0.0008142200000000, -0.0003254800000000, 0.0010060800000000 ] - [ 0.0007268800000000, -0.0003101500000000, 0.0009120800000000 ] - [ 0.0000996300000000, -0.0009840400000000, -0.0001558500000000 ] - [ 0.0001793200000000, -0.0006717400000000, 0.0000248600000000 ] - [ -0.0000261200000000, -0.0010810300000000, -0.0005647000000000 ] - [ 0.0000006200000000, -0.0010847200000000, -0.0004880900000000 ] - [ -0.0017217600000000, 0.0000000000000000, 0.0000702900000000 ] - [ -0.0009993600000000, 0.0000000000000000, -0.0002265100000000 ] - [ 0.0012069800000000, 0.0000000000000000, -0.0002343400000000 ] - [ 0.0001710500000000, 0.0000000000000000, -0.0002275900000000 ] - [ -0.0016831100000000, 0.0000000000000000, -0.0014924700000000 ] - [ -0.0014515400000000, 0.0000000000000000, -0.0012939200000000 ] - [ 0.0007268800000000, 0.0003101500000000, 0.0009120800000000 ] - [ 0.0008142200000000, 0.0003254800000000, 0.0010060800000000 ] - [ 0.0001793200000000, 0.0006717400000000, 0.0000248600000000 ] - [ 0.0000996300000000, 0.0009840400000000, -0.0001558500000000 ] - [ 0.0000006200000000, 0.0010847200000000, -0.0004880900000000 ] - [ -0.0000261200000000, 0.0010810300000000, -0.0005647000000000 ] - [ 0.0002720600000000, -0.0000932700000000, -0.0003453500000000 ] - [ 0.0002720600000000, 0.0000932700000000, -0.0003453500000000 ] - [ -0.0002557800000000, -0.0001068600000000, -0.0011883700000000 ] - [ -0.0002557800000000, 0.0001068600000000, -0.0011883700000000 ] - [ -0.0002563600000000, 0.0000410500000000, -0.0009427600000000 ] - [ -0.0002563600000000, -0.0000410500000000, -0.0009427600000000 ] - [ -0.0007870800000000, -0.0012920800000000, 0.0014445000000000 ] - [ -0.0017569700000000, -0.0010399100000000, 0.0040596200000000 ] - [ 0.0000886400000000, -0.0007532000000000, -0.0005670700000000 ] - [ 0.0005325900000000, -0.0000609300000000, -0.0012882100000000 ] - [ -0.0005365400000000, 0.0000871300000000, -0.0015610900000000 ] - [ -0.0006204200000000, -0.0000701900000000, -0.0017651200000000 ] - [ -0.0017569700000000, 0.0010399100000000, 0.0040596200000000 ] - [ -0.0007870800000000, 0.0012920800000000, 0.0014445000000000 ] - [ 0.0005325900000000, 0.0000609300000000, -0.0012882100000000 ] - [ 0.0000886400000000, 0.0007532000000000, -0.0005670700000000 ] - [ -0.0006204200000000, 0.0000701900000000, -0.0017651200000000 ] - [ -0.0005365400000000, -0.0000871300000000, -0.0015610900000000 ] - [ 0.0024486700000000, -0.0001416100000000, 0.0016053500000000 ] - [ 0.0024486700000000, 0.0001416100000000, 0.0016053500000000 ] - [ 0.0004753400000000, -0.0000531400000000, 0.0000454000000000 ] - [ 0.0004753400000000, 0.0000531400000000, 0.0000454000000000 ] - [ -0.0008642200000000, 0.0001116800000000, -0.0001364600000000 ] - [ -0.0008642200000000, -0.0001116800000000, -0.0001364600000000 ] - [ -0.0048074600000000, 0.0000000000000000, 0.0017540500000000 ] - [ -0.0014349100000000, 0.0000000000000000, 0.0018319100000000 ] - [ 0.0044706100000000, 0.0000000000000000, -0.0012713600000000 ] - [ 0.0013375500000000, 0.0000000000000000, 0.0003915100000000 ] - [ 0.0007044600000000, 0.0000000000000000, -0.0004436000000000 ] - [ 0.0006061300000000, 0.0000000000000000, -0.0001529700000000 ]- atom: 13 displacement: [ 0.0037734251549958, 0.0000000000000000, -0.0092607376919792 ] forces: - [ 0.0014623000000000, 0.0000000000000000, -0.0001958300000000 ] - [ 0.0008790100000000, 0.0000000000000000, -0.0001158700000000 ] - [ -0.0006652500000000, 0.0000000000000000, 0.0030973700000000 ] - [ 0.0004668900000000, 0.0000000000000000, 0.0021028200000000 ] - [ -0.0018174100000000, 0.0000000000000000, -0.0028919600000000 ] - [ -0.0009435700000000, 0.0000000000000000, -0.0018011400000000 ] - [ -0.0037229800000000, 0.0069811300000000, -0.0083959000000000 ] - [ -0.0037229800000000, -0.0069811300000000, -0.0083959000000000 ] - [ 0.0056294500000000, -0.0131633400000000, 0.0042563700000000 ] - [ 0.0056294500000000, 0.0131633400000000, 0.0042563700000000 ] - [ 0.0010404600000000, -0.0003973700000000, -0.0033633600000000 ] - [ 0.0010404600000000, 0.0003973700000000, -0.0033633600000000 ] - [ -0.1085080900000000, 0.0000000000000000, 0.3083030200000000 ] - [ -0.0017441400000000, 0.0000000000000000, 0.0074739000000000 ] - [ 0.0004690600000000, 0.0000000000000000, -0.0081283700000000 ] - [ -0.0005625200000000, 0.0000000000000000, -0.0026473400000000 ] - [ 0.0041506400000000, 0.0000000000000000, -0.0066654300000000 ] - [ 0.0005711700000000, 0.0000000000000000, -0.0021808200000000 ] - [ 0.0056128500000000, 0.0020793700000000, 0.0010936400000000 ] - [ 0.0056128500000000, -0.0020793700000000, 0.0010936400000000 ] - [ -0.0052556900000000, -0.0030958800000000, -0.0005496800000000 ] - [ -0.0052556900000000, 0.0030958800000000, -0.0005496800000000 ] - [ 0.0007828700000000, -0.0001115900000000, -0.0020377600000000 ] - [ 0.0007828700000000, 0.0001115900000000, -0.0020377600000000 ] - [ 0.0011330000000000, -0.0000990500000000, 0.0020465700000000 ] - [ 0.0011330000000000, 0.0000990500000000, 0.0020465700000000 ] - [ -0.0012372200000000, -0.0003457100000000, -0.0010233400000000 ] - [ -0.0012372200000000, 0.0003457100000000, -0.0010233400000000 ] - [ -0.0021956400000000, 0.0000771800000000, -0.0014092200000000 ] - [ -0.0021956400000000, -0.0000771800000000, -0.0014092200000000 ] - [ -0.0055593000000000, 0.0000000000000000, 0.0070411100000000 ] - [ -0.0010472900000000, 0.0000000000000000, 0.0023498000000000 ] - [ 0.0056220400000000, 0.0000000000000000, -0.0028237800000000 ] - [ 0.0025635000000000, 0.0000000000000000, -0.0004063000000000 ] - [ 0.0001794800000000, 0.0000000000000000, -0.0033722700000000 ] - [ 0.0004022900000000, 0.0000000000000000, -0.0024914100000000 ] - [ 0.0004410800000000, -0.0034728400000000, -0.0023942500000000 ] - [ 0.0123784000000000, -0.0550210300000000, -0.0764249500000000 ] - [ 0.0002986300000000, 0.0000990800000000, 0.0011984900000000 ] - [ -0.0006620700000000, -0.0007139400000000, 0.0034011200000000 ] - [ 0.0000672300000000, -0.0004834900000000, 0.0011685200000000 ] - [ -0.0002959500000000, 0.0005380700000000, 0.0024821500000000 ] - [ -0.0034165100000000, -0.0010672600000000, -0.0006146300000000 ] - [ -0.0034165100000000, 0.0010672600000000, -0.0006146300000000 ] - [ 0.0025594500000000, 0.0027721200000000, 0.0001144400000000 ] - [ 0.0025594500000000, -0.0027721200000000, 0.0001144400000000 ] - [ -0.0005298000000000, 0.0001086400000000, 0.0003106200000000 ] - [ -0.0005298000000000, -0.0001086400000000, 0.0003106200000000 ] - [ 0.0123784000000000, 0.0550210300000000, -0.0764249500000000 ] - [ 0.0004410800000000, 0.0034728400000000, -0.0023942500000000 ] - [ -0.0006620700000000, 0.0007139400000000, 0.0034011200000000 ] - [ 0.0002986300000000, -0.0000990800000000, 0.0011984900000000 ] - [ -0.0002959500000000, -0.0005380700000000, 0.0024821500000000 ] - [ 0.0000672300000000, 0.0004834900000000, 0.0011685200000000 ] - [ 0.0795625400000000, 0.0000000000000000, -0.1042911100000000 ] - [ 0.0021320600000000, 0.0000000000000000, -0.0036615400000000 ] - [ -0.0018054700000000, 0.0000000000000000, 0.0016088900000000 ] - [ -0.0007656900000000, 0.0000000000000000, 0.0002183200000000 ] - [ -0.0029921500000000, 0.0000000000000000, 0.0040111400000000 ] - [ -0.0009984500000000, 0.0000000000000000, 0.0001366000000000 ] - [ -0.0018616000000000, -0.0008864600000000, -0.0010512900000000 ] - [ -0.0011422200000000, 0.0003608600000000, -0.0012082700000000 ] - [ 0.0010397400000000, -0.0001325500000000, 0.0004087500000000 ] - [ 0.0006759200000000, -0.0019375800000000, 0.0006849600000000 ] - [ -0.0003527500000000, -0.0010592400000000, 0.0007260700000000 ] - [ -0.0003133500000000, -0.0010700600000000, 0.0006094600000000 ] - [ -0.0011422200000000, -0.0003608600000000, -0.0012082700000000 ] - [ -0.0018616000000000, 0.0008864600000000, -0.0010512900000000 ] - [ 0.0006759200000000, 0.0019375800000000, 0.0006849600000000 ] - [ 0.0010397400000000, 0.0001325500000000, 0.0004087500000000 ] - [ -0.0003133500000000, 0.0010700600000000, 0.0006094600000000 ] - [ -0.0003527500000000, 0.0010592400000000, 0.0007260700000000 ] - [ 0.0024090300000000, 0.0000000000000000, -0.0449733300000000 ] - [ -0.0001428300000000, 0.0000000000000000, -0.0013573000000000 ] - [ 0.0018227700000000, 0.0000000000000000, 0.0024000900000000 ] - [ 0.0011615200000000, 0.0000000000000000, 0.0012363600000000 ] - [ -0.0010542800000000, 0.0000000000000000, 0.0012148700000000 ] - [ 0.0001210000000000, 0.0000000000000000, 0.0008108900000000 ] - [ -0.0012963800000000, -0.0002588800000000, 0.0012797400000000 ] - [ -0.0012963800000000, 0.0002588800000000, 0.0012797400000000 ] - [ 0.0018248100000000, 0.0005033700000000, -0.0005141800000000 ] - [ 0.0018248100000000, -0.0005033700000000, -0.0005141800000000 ] - [ -0.0001600200000000, 0.0001353600000000, 0.0016539300000000 ] - [ -0.0001600200000000, -0.0001353600000000, 0.0016539300000000 ] - [ -0.0002052500000000, -0.0011430400000000, -0.0007451700000000 ] - [ -0.0001181100000000, -0.0011589700000000, -0.0006504600000000 ] - [ 0.0005085900000000, -0.0004807400000000, 0.0004237200000000 ] - [ 0.0004286700000000, -0.0007963800000000, 0.0002396800000000 ] - [ 0.0006325500000000, -0.0003891900000000, 0.0008249500000000 ] - [ 0.0006058900000000, -0.0003844700000000, 0.0007487800000000 ] - [ 0.0003582600000000, 0.0000000000000000, -0.0010880400000000 ] - [ -0.0003646300000000, 0.0000000000000000, -0.0007884600000000 ] - [ -0.0025544300000000, 0.0000000000000000, -0.0007731600000000 ] - [ -0.0015292800000000, 0.0000000000000000, -0.0007846300000000 ] - [ 0.0003225700000000, 0.0000000000000000, 0.0004788500000000 ] - [ 0.0000885400000000, 0.0000000000000000, 0.0002783700000000 ] - [ -0.0001181100000000, 0.0011589700000000, -0.0006504600000000 ] - [ -0.0002052500000000, 0.0011430400000000, -0.0007451700000000 ] - [ 0.0004286700000000, 0.0007963800000000, 0.0002396800000000 ] - [ 0.0005085900000000, 0.0004807400000000, 0.0004237200000000 ] - [ 0.0006058900000000, 0.0003844700000000, 0.0007487800000000 ] - [ 0.0006325500000000, 0.0003891900000000, 0.0008249500000000 ] - [ -0.0004066200000000, 0.0000957400000000, -0.0013127100000000 ] - [ -0.0004066200000000, -0.0000957400000000, -0.0013127100000000 ] - [ 0.0001143700000000, 0.0001067800000000, -0.0004658000000000 ] - [ 0.0001143700000000, -0.0001067800000000, -0.0004658000000000 ] - [ 0.0001164500000000, -0.0000415700000000, -0.0007141700000000 ] - [ 0.0001164500000000, 0.0000415700000000, -0.0007141700000000 ] - [ 0.0001764700000000, -0.0001756000000000, -0.0017056700000000 ] - [ 0.0011411600000000, -0.0004269900000000, -0.0043190900000000 ] - [ -0.0006954800000000, -0.0007156300000000, 0.0003054100000000 ] - [ -0.0011372200000000, -0.0014082200000000, 0.0010277100000000 ] - [ -0.0000718700000000, -0.0015546400000000, 0.0012949000000000 ] - [ 0.0000141400000000, -0.0013964100000000, 0.0015020000000000 ] - [ 0.0011411600000000, 0.0004269900000000, -0.0043190900000000 ] - [ 0.0001764700000000, 0.0001756000000000, -0.0017056700000000 ] - [ -0.0011372200000000, 0.0014082200000000, 0.0010277100000000 ] - [ -0.0006954800000000, 0.0007156300000000, 0.0003054100000000 ] - [ 0.0000141400000000, 0.0013964100000000, 0.0015020000000000 ] - [ -0.0000718700000000, 0.0015546400000000, 0.0012949000000000 ] - [ -0.0010850500000000, 0.0001415400000000, -0.0005903300000000 ] - [ -0.0010850500000000, -0.0001415400000000, -0.0005903300000000 ] - [ 0.0008873300000000, 0.0000531900000000, 0.0009690700000000 ] - [ 0.0008873300000000, -0.0000531900000000, 0.0009690700000000 ] - [ 0.0022217700000000, -0.0001122600000000, 0.0011484200000000 ] - [ 0.0022217700000000, 0.0001122600000000, 0.0011484200000000 ] - [ 0.0049600600000000, 0.0000000000000000, -0.0001056700000000 ] - [ 0.0015719300000000, 0.0000000000000000, -0.0001768700000000 ] - [ -0.0043338500000000, 0.0000000000000000, 0.0029292600000000 ] - [ -0.0011986900000000, 0.0000000000000000, 0.0012658100000000 ] - [ -0.0005634400000000, 0.0000000000000000, 0.0020986700000000 ] - [ -0.0004648700000000, 0.0000000000000000, 0.0018060200000000 ]- atom: 37 displacement: [ 0.0099999527214042, 0.0000000000000000, -0.0000307501167644 ] forces: - [ -0.0005799600000000, 0.0000498500000000, 0.0000964900000000 ] - [ -0.0011477100000000, -0.0000583900000000, 0.0001156500000000 ] - [ -0.0004680300000000, 0.0001257000000000, -0.0002255500000000 ] - [ -0.0034507100000000, -0.0001597000000000, -0.0012590000000000 ] - [ -0.0000289700000000, -0.0000169500000000, -0.0003600500000000 ] - [ -0.0000356000000000, 0.0000225800000000, -0.0006113500000000 ] - [ 0.0022733700000000, 0.0005884300000000, 0.0010797300000000 ] - [ 0.0010590700000000, 0.0000648300000000, 0.0001781700000000 ] - [ -0.0009028000000000, -0.0022030000000000, 0.0027476400000000 ] - [ 0.0000906600000000, 0.0011630400000000, 0.0003619400000000 ] - [ -0.0000023100000000, 0.0000112000000000, 0.0002561500000000 ] - [ -0.0000229600000000, -0.0000051500000000, 0.0002273200000000 ] - [ 0.0002754900000000, -0.0004463900000000, 0.0001322700000000 ] - [ 0.0425381800000000, 0.0067167700000000, 0.0036855400000000 ] - [ -0.0005165700000000, -0.0001870700000000, 0.0002276500000000 ] - [ -0.0004562100000000, 0.0001160800000000, 0.0006501600000000 ] - [ -0.0003135800000000, 0.0000228100000000, 0.0000603700000000 ] - [ -0.0008222900000000, -0.0000486100000000, 0.0009012900000000 ] - [ -0.0009954100000000, 0.0015643300000000, 0.0010952400000000 ] - [ 0.0005168800000000, -0.0009210600000000, 0.0009318400000000 ] - [ 0.0017977000000000, 0.0009278300000000, -0.0009014900000000 ] - [ 0.0015525200000000, -0.0010367300000000, -0.0006010700000000 ] - [ 0.0008073500000000, 0.0000190400000000, 0.0002075600000000 ] - [ 0.0008155500000000, -0.0000185400000000, 0.0001680400000000 ] - [ -0.0021679500000000, -0.0000014400000000, -0.0001612600000000 ] - [ -0.0016436700000000, -0.0000204500000000, -0.0000410000000000 ] - [ -0.0010277500000000, 0.0002057400000000, -0.0005941500000000 ] - [ -0.0009965900000000, -0.0002105900000000, -0.0005529300000000 ] - [ -0.0014553000000000, -0.0001293800000000, -0.0006334600000000 ] - [ -0.0011199500000000, 0.0001287800000000, -0.0004125000000000 ] - [ 0.0005289700000000, -0.0007280500000000, -0.0004879300000000 ] - [ -0.0015987500000000, 0.0037297600000000, -0.0023998300000000 ] - [ 0.0001264300000000, -0.0001340900000000, 0.0002982300000000 ] - [ -0.0004824600000000, 0.0001223100000000, 0.0005320600000000 ] - [ 0.0006672600000000, -0.0002493500000000, -0.0001499400000000 ] - [ 0.0007282600000000, 0.0001769600000000, -0.0002155500000000 ] - [ -0.0542468800000000, -0.0142989300000000, -0.0124828300000000 ] - [ 0.0001300800000000, -0.0005212500000000, 0.0001348000000000 ] - [ 0.0002283200000000, -0.0009131300000000, -0.0003316100000000 ] - [ 0.0002338400000000, -0.0007683600000000, 0.0000014800000000 ] - [ 0.0002283100000000, -0.0009444600000000, -0.0001784300000000 ] - [ 0.0002340400000000, -0.0007384800000000, 0.0000715700000000 ] - [ 0.0001856300000000, -0.0010796600000000, -0.0016852700000000 ] - [ -0.0008704600000000, 0.0002007400000000, -0.0007351600000000 ] - [ -0.0018565700000000, -0.0002820200000000, -0.0003552500000000 ] - [ -0.0014285900000000, 0.0001760600000000, -0.0005160400000000 ] - [ -0.0007508300000000, -0.0000005000000000, -0.0005827700000000 ] - [ -0.0007393200000000, 0.0000027600000000, -0.0005664800000000 ] - [ -0.0007082600000000, 0.0013044300000000, -0.0001038300000000 ] - [ -0.0091235400000000, 0.0019573800000000, -0.0001102600000000 ] - [ 0.0001828400000000, 0.0010027000000000, -0.0002020800000000 ] - [ 0.0002871000000000, 0.0007262600000000, -0.0002331500000000 ] - [ 0.0001837100000000, 0.0007696300000000, 0.0000480400000000 ] - [ 0.0002865600000000, 0.0009521100000000, -0.0001838900000000 ] - [ -0.0004950000000000, 0.0001835300000000, -0.0007186900000000 ] - [ 0.0004452700000000, -0.0153087700000000, -0.0208046900000000 ] - [ -0.0000526700000000, 0.0000308600000000, -0.0009278900000000 ] - [ -0.0000014100000000, -0.0000207200000000, -0.0010271000000000 ] - [ -0.0003405000000000, 0.0000873700000000, -0.0008091500000000 ] - [ -0.0001508500000000, 0.0002370500000000, -0.0018613600000000 ] - [ -0.0000166800000000, -0.0012579500000000, -0.0000346200000000 ] - [ -0.0000209200000000, -0.0001017400000000, -0.0006380800000000 ] - [ -0.0004330400000000, -0.0010191900000000, 0.0001385300000000 ] - [ -0.0004328000000000, -0.0004591200000000, 0.0003074100000000 ] - [ -0.0002801500000000, -0.0007322100000000, -0.0001661800000000 ] - [ -0.0002801800000000, -0.0007162000000000, -0.0001618700000000 ] - [ 0.0006266500000000, 0.0001424000000000, -0.0006630100000000 ] - [ -0.0002306100000000, 0.0009337200000000, -0.0001831100000000 ] - [ -0.0004693300000000, 0.0005277100000000, 0.0002750100000000 ] - [ -0.0003954600000000, 0.0010046700000000, 0.0000995500000000 ] - [ -0.0002687000000000, 0.0007143900000000, -0.0001763300000000 ] - [ -0.0002924100000000, 0.0007342100000000, -0.0001509600000000 ] - [ 0.0001532700000000, 0.0000113500000000, 0.0002965000000000 ] - [ 0.0155006300000000, 0.0215012200000000, 0.0265133000000000 ] - [ 0.0004784500000000, 0.0000249200000000, 0.0004028900000000 ] - [ 0.0003683900000000, -0.0000187400000000, 0.0003387100000000 ] - [ 0.0005447400000000, -0.0000480100000000, 0.0003611300000000 ] - [ 0.0007139600000000, 0.0000566000000000, 0.0002223100000000 ] - [ 0.0007425800000000, -0.0001768900000000, 0.0003318100000000 ] - [ 0.0003494700000000, 0.0001294600000000, 0.0005337600000000 ] - [ -0.0001068800000000, -0.0005063300000000, 0.0014559500000000 ] - [ -0.0000276100000000, 0.0005874700000000, 0.0012189900000000 ] - [ 0.0000304000000000, -0.0000094500000000, 0.0008695300000000 ] - [ 0.0000238700000000, 0.0000107100000000, 0.0008749900000000 ] - [ 0.0005950500000000, -0.0006790400000000, 0.0001669000000000 ] - [ 0.0005949600000000, -0.0007053900000000, 0.0000887800000000 ] - [ 0.0003936700000000, -0.0007294300000000, 0.0002763300000000 ] - [ 0.0004398800000000, -0.0004956600000000, 0.0004497800000000 ] - [ 0.0004390600000000, -0.0005797500000000, 0.0003266700000000 ] - [ 0.0003937200000000, -0.0007111400000000, 0.0002813800000000 ] - [ -0.0003446900000000, 0.0001027200000000, -0.0003055300000000 ] - [ 0.0006907100000000, -0.0004735600000000, 0.0003785200000000 ] - [ -0.0003234900000000, 0.0000213600000000, -0.0004255500000000 ] - [ 0.0001526800000000, -0.0000174300000000, -0.0003166000000000 ] - [ -0.0005561700000000, 0.0000394400000000, -0.0003875800000000 ] - [ -0.0005578200000000, -0.0000249800000000, -0.0003676800000000 ] - [ 0.0007488600000000, 0.0006590100000000, 0.0001380100000000 ] - [ 0.0004900600000000, 0.0007318500000000, 0.0001136500000000 ] - [ 0.0004466000000000, 0.0004955100000000, 0.0004593800000000 ] - [ 0.0003824400000000, 0.0007353000000000, 0.0002626500000000 ] - [ 0.0004458100000000, 0.0006434500000000, 0.0003466500000000 ] - [ 0.0003827700000000, 0.0006496900000000, 0.0002576300000000 ] - [ 0.0005161200000000, -0.0001292000000000, -0.0010127500000000 ] - [ 0.0003596400000000, 0.0001197000000000, -0.0009979100000000 ] - [ -0.0000612100000000, -0.0000396800000000, -0.0006794300000000 ] - [ -0.0000648100000000, 0.0000405100000000, -0.0006901100000000 ] - [ 0.0002112100000000, 0.0000466000000000, -0.0008123700000000 ] - [ 0.0001074000000000, -0.0000445300000000, -0.0008195100000000 ] - [ 0.0065792400000000, -0.0023961500000000, 0.0015612400000000 ] - [ -0.0003221800000000, -0.0006196000000000, -0.0000892300000000 ] - [ -0.0000921700000000, -0.0007387300000000, -0.0002793900000000 ] - [ -0.0002109400000000, -0.0006761200000000, -0.0002242800000000 ] - [ -0.0003519900000000, -0.0009040100000000, 0.0001118900000000 ] - [ -0.0003244200000000, -0.0006765300000000, -0.0001023200000000 ] - [ -0.0001462400000000, 0.0014275300000000, 0.0002180100000000 ] - [ -0.0002548600000000, -0.0003804500000000, -0.0002576500000000 ] - [ -0.0001674800000000, 0.0007900100000000, -0.0002236400000000 ] - [ -0.0001253000000000, 0.0006321100000000, -0.0002849700000000 ] - [ -0.0002675700000000, 0.0010025500000000, 0.0001887100000000 ] - [ -0.0003809100000000, 0.0006932400000000, -0.0000508700000000 ] - [ 0.0015225900000000, 0.0000604500000000, 0.0006662800000000 ] - [ 0.0011418800000000, -0.0000316000000000, 0.0005990400000000 ] - [ 0.0008990300000000, -0.0000277000000000, 0.0006548100000000 ] - [ 0.0008794100000000, 0.0000254600000000, 0.0006390500000000 ] - [ 0.0010840800000000, 0.0001178000000000, 0.0008745200000000 ] - [ 0.0008303200000000, -0.0001029400000000, 0.0006772300000000 ] - [ -0.0000400700000000, 0.0001922900000000, 0.0009928700000000 ] - [ 0.0009640700000000, -0.0013278900000000, 0.0026219700000000 ] - [ 0.0003923800000000, 0.0001491300000000, 0.0006272700000000 ] - [ 0.0007473800000000, -0.0001436100000000, 0.0003263100000000 ] - [ 0.0000463800000000, 0.0000399700000000, 0.0008861600000000 ] - [ 0.0000343200000000, -0.0000292400000000, 0.0008832400000000 ]- atom: 37 displacement: [ -0.0099999527214042, 0.0000000000000000, 0.0000307501167644 ] forces: - [ 0.0005817600000000, -0.0000465800000000, -0.0000958900000000 ] - [ 0.0011517100000000, 0.0000554500000000, -0.0001138400000000 ] - [ 0.0004714900000000, -0.0001216000000000, 0.0002240600000000 ] - [ 0.0034624200000000, 0.0001554500000000, 0.0012580100000000 ] - [ 0.0000314200000000, 0.0000184000000000, 0.0003635400000000 ] - [ 0.0000390100000000, -0.0000233100000000, 0.0006164100000000 ] - [ -0.0022467600000000, -0.0005646400000000, -0.0010262300000000 ] - [ -0.0010672100000000, -0.0000542400000000, -0.0002053200000000 ] - [ 0.0008919200000000, 0.0021954500000000, -0.0027657800000000 ] - [ -0.0001103600000000, -0.0011436100000000, -0.0003571900000000 ] - [ 0.0000016400000000, -0.0000115700000000, -0.0002530500000000 ] - [ 0.0000225000000000, 0.0000061300000000, -0.0002250000000000 ] - [ -0.0017468600000000, 0.0004724100000000, -0.0003804300000000 ] - [ -0.0441995300000000, -0.0073152300000000, -0.0043466100000000 ] - [ -0.0009555800000000, 0.0001914200000000, -0.0004710900000000 ] - [ -0.0010167000000000, -0.0001196500000000, -0.0008869900000000 ] - [ -0.0011592800000000, -0.0000178100000000, -0.0003038300000000 ] - [ -0.0006483800000000, 0.0000443700000000, -0.0011445900000000 ] - [ 0.0024535000000000, -0.0015578600000000, -0.0008513800000000 ] - [ 0.0009637000000000, 0.0009234400000000, -0.0006888300000000 ] - [ -0.0003182000000000, -0.0009319600000000, 0.0011464600000000 ] - [ -0.0000695600000000, 0.0010405900000000, 0.0008548700000000 ] - [ 0.0006644300000000, -0.0000185500000000, 0.0000400400000000 ] - [ 0.0006565500000000, 0.0000187500000000, 0.0000794700000000 ] - [ 0.0007020500000000, 0.0000036100000000, -0.0000861600000000 ] - [ 0.0001729500000000, 0.0000201100000000, -0.0002073000000000 ] - [ -0.0004407700000000, -0.0002059400000000, 0.0003510300000000 ] - [ -0.0004719900000000, 0.0002116100000000, 0.0003098600000000 ] - [ -0.0000082300000000, 0.0001310100000000, 0.0003950200000000 ] - [ -0.0003505400000000, -0.0001296700000000, 0.0001686800000000 ] - [ 0.0009451700000000, 0.0007410800000000, 0.0007329400000000 ] - [ 0.0030742400000000, -0.0037855500000000, 0.0026620000000000 ] - [ 0.0013457800000000, 0.0001371700000000, -0.0000531700000000 ] - [ 0.0019523100000000, -0.0001245000000000, -0.0002852800000000 ] - [ 0.0008062400000000, 0.0002563700000000, 0.0003989000000000 ] - [ 0.0007451000000000, -0.0001820400000000, 0.0004652800000000 ] - [ 0.0548846200000000, 0.0133125000000000, 0.0127441100000000 ] - [ 0.0004789900000000, -0.0009574700000000, 0.0001291800000000 ] - [ 0.0003833200000000, -0.0005468500000000, 0.0005971000000000 ] - [ 0.0003761700000000, -0.0006975200000000, 0.0002627600000000 ] - [ 0.0003821100000000, -0.0005182400000000, 0.0004434500000000 ] - [ 0.0003757700000000, -0.0007264800000000, 0.0001942500000000 ] - [ -0.0015204300000000, 0.0010688800000000, 0.0006605600000000 ] - [ -0.0004862200000000, -0.0001991200000000, -0.0002740100000000 ] - [ 0.0005009900000000, 0.0002907600000000, -0.0006606400000000 ] - [ 0.0000701200000000, -0.0001767300000000, -0.0005015700000000 ] - [ -0.0006007200000000, 0.0000035600000000, -0.0004286300000000 ] - [ -0.0006129200000000, 0.0000000100000000, -0.0004452500000000 ] - [ 0.0013212500000000, 0.0001565000000000, 0.0003786200000000 ] - [ 0.0097355900000000, -0.0007876200000000, 0.0003808200000000 ] - [ 0.0004274000000000, 0.0004595400000000, 0.0004707400000000 ] - [ 0.0003235700000000, 0.0007387000000000, 0.0004955800000000 ] - [ 0.0004265500000000, 0.0006925900000000, 0.0002184100000000 ] - [ 0.0003224700000000, 0.0005144500000000, 0.0004498400000000 ] - [ 0.0003614600000000, -0.0001895600000000, -0.0009376900000000 ] - [ -0.0004323400000000, 0.0153453800000000, 0.0192288200000000 ] - [ -0.0000800000000000, -0.0000318900000000, -0.0007310600000000 ] - [ -0.0001298500000000, 0.0000212200000000, -0.0006336500000000 ] - [ 0.0002087100000000, -0.0000919400000000, -0.0008499100000000 ] - [ 0.0000147300000000, -0.0002309200000000, 0.0002016500000000 ] - [ -0.0005885400000000, -0.0002092200000000, -0.0002296900000000 ] - [ -0.0005890700000000, -0.0013612800000000, 0.0003726500000000 ] - [ -0.0001756300000000, -0.0004417100000000, -0.0004073500000000 ] - [ -0.0001764600000000, -0.0010033200000000, -0.0005769800000000 ] - [ -0.0003271400000000, -0.0007310900000000, -0.0001018100000000 ] - [ -0.0003272000000000, -0.0007470200000000, -0.0001059400000000 ] - [ -0.0012245600000000, 0.0013237100000000, 0.0003989400000000 ] - [ -0.0003787200000000, 0.0005277700000000, -0.0000837600000000 ] - [ -0.0001399400000000, 0.0009363900000000, -0.0005432400000000 ] - [ -0.0002142800000000, 0.0004555900000000, -0.0003694900000000 ] - [ -0.0003392000000000, 0.0007490600000000, -0.0000914000000000 ] - [ -0.0003155600000000, 0.0007295400000000, -0.0001161000000000 ] - [ 0.0012025800000000, -0.0000175500000000, 0.0007163700000000 ] - [ -0.0140669800000000, -0.0212139700000000, -0.0251240100000000 ] - [ 0.0008763000000000, -0.0000276700000000, 0.0006078000000000 ] - [ 0.0009853100000000, 0.0000171100000000, 0.0006704800000000 ] - [ 0.0008101600000000, 0.0000445900000000, 0.0006498600000000 ] - [ 0.0006412500000000, -0.0000574300000000, 0.0007886500000000 ] - [ -0.0006030300000000, 0.0001771700000000, 0.0013241300000000 ] - [ -0.0002168400000000, -0.0001285500000000, 0.0011263200000000 ] - [ 0.0002405800000000, 0.0005090000000000, 0.0002044700000000 ] - [ 0.0001598500000000, -0.0005876100000000, 0.0004383700000000 ] - [ 0.0001058800000000, 0.0000105300000000, 0.0007872100000000 ] - [ 0.0001126600000000, -0.0000097400000000, 0.0007813500000000 ] - [ 0.0000140500000000, -0.0007849600000000, 0.0001000000000000 ] - [ 0.0000144200000000, -0.0007559700000000, 0.0001795900000000 ] - [ 0.0002156300000000, -0.0007338100000000, -0.0000102100000000 ] - [ 0.0001692500000000, -0.0009680200000000, -0.0001842800000000 ] - [ 0.0001693400000000, -0.0008857600000000, -0.0000628200000000 ] - [ 0.0002158800000000, -0.0007519200000000, -0.0000158700000000 ] - [ -0.0010087900000000, -0.0001016000000000, -0.0007059400000000 ] - [ -0.0020515600000000, 0.0004846300000000, -0.0013974200000000 ] - [ -0.0010289000000000, -0.0000190000000000, -0.0005852900000000 ] - [ -0.0015056500000000, 0.0000208600000000, -0.0006943200000000 ] - [ -0.0007972300000000, -0.0000375900000000, -0.0006246100000000 ] - [ -0.0007962600000000, 0.0000286900000000, -0.0006450000000000 ] - [ -0.0001407300000000, 0.0008048500000000, 0.0001302200000000 ] - [ 0.0001190400000000, 0.0007313000000000, 0.0001546400000000 ] - [ 0.0001619600000000, 0.0009690500000000, -0.0001929600000000 ] - [ 0.0002259900000000, 0.0007289800000000, 0.0000041900000000 ] - [ 0.0001620400000000, 0.0008222300000000, -0.0000821900000000 ] - [ 0.0002265600000000, 0.0008146800000000, 0.0000086400000000 ] - [ -0.0006514800000000, 0.0001289400000000, -0.0006435900000000 ] - [ -0.0004938100000000, -0.0001203200000000, -0.0006595200000000 ] - [ -0.0000728300000000, 0.0000393900000000, -0.0009794100000000 ] - [ -0.0000699300000000, -0.0000409900000000, -0.0009680200000000 ] - [ -0.0003463400000000, -0.0000474800000000, -0.0008467900000000 ] - [ -0.0002408700000000, 0.0000448300000000, -0.0008392100000000 ] - [ -0.0073913300000000, 0.0009602000000000, -0.0018640200000000 ] - [ -0.0002834500000000, -0.0008502000000000, -0.0001740400000000 ] - [ -0.0005149800000000, -0.0007223500000000, 0.0000111600000000 ] - [ -0.0003957100000000, -0.0007885200000000, -0.0000427800000000 ] - [ -0.0002558000000000, -0.0005553100000000, -0.0003835800000000 ] - [ -0.0002824900000000, -0.0007894300000000, -0.0001635500000000 ] - [ -0.0004633900000000, 0.0000300800000000, -0.0004853800000000 ] - [ -0.0003451600000000, 0.0018602800000000, 0.0000002800000000 ] - [ -0.0004406500000000, 0.0006724400000000, -0.0000431400000000 ] - [ -0.0004816600000000, 0.0008322500000000, 0.0000179100000000 ] - [ -0.0003414500000000, 0.0004553900000000, -0.0004618400000000 ] - [ -0.0002265000000000, 0.0007730500000000, -0.0002151400000000 ] - [ -0.0001713300000000, -0.0000632600000000, 0.0003454900000000 ] - [ 0.0002140800000000, 0.0000294900000000, 0.0004131400000000 ] - [ 0.0004539600000000, 0.0000255000000000, 0.0003551000000000 ] - [ 0.0004741700000000, -0.0000277200000000, 0.0003711600000000 ] - [ 0.0002642700000000, -0.0001208900000000, 0.0001325400000000 ] - [ 0.0005256400000000, 0.0001014600000000, 0.0003341900000000 ] - [ 0.0001752200000000, -0.0001961400000000, 0.0006654400000000 ] - [ -0.0008399100000000, 0.0013525300000000, -0.0009878300000000 ] - [ -0.0002564100000000, -0.0001510000000000, 0.0010311000000000 ] - [ -0.0006074600000000, 0.0001475300000000, 0.0013309700000000 ] - [ 0.0000899200000000, -0.0000401100000000, 0.0007706300000000 ] - [ 0.0001019400000000, 0.0000311500000000, 0.0007734500000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000073700000000, -0.0005548100000000, 0.0000504000000000 ] - [ -0.0000760800000000, 0.0005738200000000, 0.0001909400000000 ] - [ 0.0001795300000000, -0.0008863900000000, 0.0003965700000000 ] - [ -0.0031084300000000, 0.0010574100000000, -0.0004860200000000 ] - [ -0.0001915200000000, -0.0003640900000000, -0.0004427400000000 ] - [ -0.0003363100000000, 0.0003703800000000, -0.0008329200000000 ] - [ -0.0008055100000000, 0.0008889500000000, -0.0020134200000000 ] - [ 0.0011123200000000, -0.0025732600000000, 0.0043158800000000 ] - [ -0.0025093900000000, 0.0013791900000000, 0.0037694300000000 ] - [ 0.0027858100000000, -0.0031926000000000, -0.0010032800000000 ] - [ 0.0002463100000000, 0.0002342200000000, -0.0007298700000000 ] - [ 0.0001807700000000, -0.0002238500000000, -0.0004476900000000 ] - [ -0.0002220800000000, -0.0077111100000000, 0.0030270700000000 ] - [ 0.0113990600000000, 0.1358701500000000, 0.0651501700000000 ] - [ -0.0006074700000000, -0.0007551300000000, -0.0003449200000000 ] - [ -0.0003831000000000, 0.0008108600000000, -0.0013479400000000 ] - [ 0.0000454300000000, -0.0010761700000000, -0.0006937200000000 ] - [ -0.0005152100000000, 0.0010728200000000, -0.0000611400000000 ] - [ 0.0044610700000000, 0.0005970500000000, 0.0014760900000000 ] - [ -0.0005482400000000, -0.0011573900000000, 0.0007824800000000 ] - [ 0.0024579600000000, 0.0014054300000000, 0.0014737200000000 ] - [ -0.0006216300000000, -0.0016525700000000, -0.0017341600000000 ] - [ 0.0008348500000000, 0.0001253700000000, -0.0001899500000000 ] - [ 0.0007960800000000, -0.0001242500000000, -0.0002184800000000 ] - [ -0.0011357200000000, 0.0002395400000000, 0.0001582400000000 ] - [ -0.0007088300000000, -0.0002858700000000, 0.0003487700000000 ] - [ -0.0009571700000000, 0.0003249800000000, -0.0005840800000000 ] - [ -0.0010264800000000, -0.0003256500000000, -0.0006172300000000 ] - [ -0.0020605700000000, 0.0001321000000000, -0.0009323700000000 ] - [ -0.0006055600000000, -0.0001307900000000, -0.0000006500000000 ] - [ -0.0002056700000000, -0.0023067500000000, 0.0003389300000000 ] - [ 0.0011663600000000, 0.0042888400000000, 0.0006316300000000 ] - [ 0.0006865300000000, -0.0004282600000000, 0.0001182400000000 ] - [ 0.0010440800000000, 0.0004181200000000, -0.0004805700000000 ] - [ 0.0005514700000000, -0.0016327000000000, -0.0008335600000000 ] - [ 0.0005830800000000, 0.0013025400000000, -0.0006536400000000 ] - [ -0.0144487000000000, -0.2130000200000000, -0.1137960600000000 ] - [ 0.0005242600000000, 0.0032820600000000, 0.0007666400000000 ] - [ 0.0000920400000000, -0.0012363000000000, 0.0002851600000000 ] - [ 0.0002991500000000, -0.0002311200000000, 0.0004919100000000 ] - [ 0.0001218100000000, -0.0012355400000000, 0.0001712200000000 ] - [ 0.0002709000000000, -0.0002327300000000, 0.0004155700000000 ] - [ -0.0039419400000000, 0.0004247600000000, -0.0002196100000000 ] - [ -0.0000157400000000, 0.0004026500000000, -0.0008772900000000 ] - [ -0.0019032200000000, -0.0001795200000000, -0.0026536700000000 ] - [ -0.0000104400000000, 0.0008770200000000, 0.0004802900000000 ] - [ -0.0007300700000000, -0.0000450400000000, -0.0004089000000000 ] - [ -0.0006825200000000, 0.0000479500000000, -0.0003896600000000 ] - [ -0.0002736900000000, 0.0114334700000000, -0.0023167300000000 ] - [ -0.0010676500000000, 0.0556367200000000, 0.0011188000000000 ] - [ 0.0002646000000000, 0.0010417100000000, -0.0001105100000000 ] - [ 0.0000878600000000, 0.0004277000000000, 0.0009401500000000 ] - [ 0.0000348200000000, 0.0010424900000000, 0.0003914800000000 ] - [ 0.0003101500000000, 0.0004267200000000, 0.0002274900000000 ] - [ 0.0004734700000000, 0.0014297400000000, -0.0017390300000000 ] - [ -0.0136301800000000, 0.0071974100000000, 0.0234474700000000 ] - [ -0.0001837000000000, 0.0001493700000000, -0.0006885100000000 ] - [ -0.0003736400000000, -0.0001586000000000, -0.0004553900000000 ] - [ -0.0005482800000000, 0.0009869700000000, -0.0004579900000000 ] - [ -0.0000532500000000, -0.0011090300000000, -0.0013888900000000 ] - [ -0.0009335700000000, -0.0003563500000000, -0.0006040900000000 ] - [ 0.0002194200000000, -0.0003609500000000, -0.0006485800000000 ] - [ -0.0005764600000000, -0.0006370100000000, -0.0004179900000000 ] - [ -0.0000124100000000, -0.0006395700000000, 0.0006404000000000 ] - [ -0.0003191800000000, -0.0007762000000000, -0.0000060300000000 ] - [ -0.0003033300000000, -0.0007765000000000, -0.0000356500000000 ] - [ -0.0008990400000000, -0.0003623300000000, -0.0010187900000000 ] - [ -0.0000994900000000, 0.0012886600000000, -0.0000719100000000 ] - [ -0.0005085600000000, -0.0001857900000000, -0.0002874500000000 ] - [ -0.0000271300000000, 0.0015814800000000, 0.0005231200000000 ] - [ -0.0003214500000000, 0.0006793100000000, -0.0000389400000000 ] - [ -0.0003016900000000, 0.0008731400000000, -0.0000029000000000 ] - [ -0.0001717800000000, 0.0011411500000000, -0.0003068000000000 ] - [ 0.0203522400000000, 0.0070321600000000, 0.0205507000000000 ] - [ 0.0006580000000000, 0.0001332800000000, 0.0005659600000000 ] - [ 0.0007470400000000, -0.0001404000000000, 0.0007863300000000 ] - [ 0.0003618500000000, 0.0002569800000000, 0.0005002500000000 ] - [ 0.0005228700000000, -0.0002649600000000, 0.0004182300000000 ] - [ -0.0007745500000000, -0.0001304600000000, 0.0009497800000000 ] - [ 0.0005259400000000, 0.0001671800000000, 0.0004573600000000 ] - [ -0.0002844400000000, -0.0005492900000000, 0.0006002800000000 ] - [ 0.0005680300000000, 0.0007069200000000, 0.0011539000000000 ] - [ 0.0000032900000000, -0.0000582300000000, 0.0009631200000000 ] - [ -0.0000005800000000, 0.0000596800000000, 0.0010159600000000 ] - [ 0.0003293200000000, -0.0007779900000000, 0.0000013900000000 ] - [ 0.0003568400000000, -0.0007788700000000, -0.0000448500000000 ] - [ 0.0003255100000000, -0.0007432300000000, 0.0002062900000000 ] - [ 0.0004587700000000, -0.0005137400000000, 0.0004536500000000 ] - [ 0.0005406700000000, -0.0005139800000000, 0.0004369300000000 ] - [ 0.0003062400000000, -0.0007441100000000, 0.0001661000000000 ] - [ -0.0002877000000000, 0.0003272000000000, -0.0004177300000000 ] - [ -0.0006434200000000, -0.0005518100000000, -0.0004958100000000 ] - [ -0.0006474100000000, 0.0000878200000000, -0.0005051400000000 ] - [ -0.0005004700000000, -0.0000839900000000, -0.0003723700000000 ] - [ -0.0003428800000000, 0.0002480900000000, -0.0001956700000000 ] - [ -0.0003904400000000, -0.0001953200000000, -0.0002389100000000 ] - [ 0.0003765800000000, 0.0005806200000000, 0.0000434400000000 ] - [ 0.0003032400000000, 0.0009987700000000, -0.0000994400000000 ] - [ 0.0003946400000000, 0.0004073600000000, 0.0004422000000000 ] - [ 0.0003872800000000, 0.0008505300000000, 0.0002209600000000 ] - [ 0.0005410300000000, 0.0004081800000000, 0.0004798000000000 ] - [ 0.0003005800000000, 0.0008506100000000, 0.0001222700000000 ] - [ 0.0001258400000000, -0.0001777900000000, -0.0010325300000000 ] - [ 0.0000906300000000, 0.0001836300000000, -0.0009533400000000 ] - [ -0.0000454300000000, -0.0000799400000000, -0.0006816100000000 ] - [ -0.0000286900000000, 0.0000802500000000, -0.0006614500000000 ] - [ 0.0002694300000000, -0.0000444500000000, -0.0008429400000000 ] - [ -0.0000868200000000, 0.0000457400000000, -0.0008529800000000 ] - [ 0.0013961700000000, -0.0034531700000000, 0.0002201900000000 ] - [ -0.0004239000000000, 0.0004541800000000, -0.0007865600000000 ] - [ -0.0002956200000000, -0.0010854600000000, 0.0001238500000000 ] - [ -0.0003607400000000, -0.0005308200000000, -0.0001206200000000 ] - [ -0.0001272700000000, -0.0018221100000000, 0.0008986900000000 ] - [ -0.0003616100000000, -0.0000760700000000, -0.0003893900000000 ] - [ 0.0003909700000000, 0.0018175300000000, 0.0000499900000000 ] - [ -0.0014288000000000, -0.0007184100000000, -0.0012542400000000 ] - [ -0.0002460500000000, 0.0008997000000000, -0.0000658500000000 ] - [ -0.0004041200000000, 0.0007235500000000, 0.0000616600000000 ] - [ -0.0000270000000000, 0.0021819500000000, 0.0014579100000000 ] - [ -0.0003449500000000, 0.0002631700000000, -0.0003203700000000 ] - [ 0.0010247200000000, -0.0000650400000000, 0.0004916100000000 ] - [ 0.0003527100000000, 0.0000824600000000, 0.0003373300000000 ] - [ 0.0008613800000000, -0.0000597100000000, 0.0007237400000000 ] - [ 0.0008446200000000, 0.0000552600000000, 0.0006754100000000 ] - [ 0.0021126100000000, -0.0000725500000000, 0.0010905400000000 ] - [ 0.0004133100000000, 0.0000641500000000, 0.0003673700000000 ] - [ 0.0005556700000000, 0.0010745800000000, 0.0006484600000000 ] - [ -0.0004370300000000, -0.0014407900000000, -0.0000280700000000 ] - [ 0.0000580500000000, 0.0004110700000000, 0.0007836800000000 ] - [ -0.0004466200000000, -0.0003897800000000, 0.0010896100000000 ] - [ -0.0001089500000000, 0.0002811800000000, 0.0011616200000000 ] - [ -0.0000703100000000, -0.0002293100000000, 0.0011047300000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000076500000000, 0.0005558100000000, -0.0000499800000000 ] - [ 0.0000759500000000, -0.0005718700000000, -0.0001929300000000 ] - [ -0.0001851800000000, 0.0008871300000000, -0.0003986500000000 ] - [ 0.0031230900000000, -0.0010547800000000, 0.0004941100000000 ] - [ 0.0001926500000000, 0.0003655400000000, 0.0004435400000000 ] - [ 0.0003375300000000, -0.0003692400000000, 0.0008348900000000 ] - [ 0.0007847500000000, -0.0009768300000000, 0.0019111300000000 ] - [ -0.0011054800000000, 0.0025929900000000, -0.0042893600000000 ] - [ 0.0025107300000000, -0.0014111000000000, -0.0037692800000000 ] - [ -0.0027774500000000, 0.0032097400000000, 0.0009945500000000 ] - [ -0.0002484100000000, -0.0002361000000000, 0.0007323000000000 ] - [ -0.0001820600000000, 0.0002283200000000, 0.0004486100000000 ] - [ -0.0012593600000000, 0.0077422100000000, -0.0033210600000000 ] - [ -0.0117489100000000, -0.1280388700000000, -0.0589888800000000 ] - [ -0.0008660600000000, 0.0007568300000000, 0.0000991500000000 ] - [ -0.0010910100000000, -0.0008105400000000, 0.0011067300000000 ] - [ -0.0015274400000000, 0.0010795500000000, 0.0004553700000000 ] - [ -0.0009423900000000, -0.0010734100000000, -0.0002044400000000 ] - [ -0.0029935300000000, -0.0006151300000000, -0.0012391800000000 ] - [ 0.0020126400000000, 0.0011692800000000, -0.0005407500000000 ] - [ -0.0009878500000000, -0.0014129100000000, -0.0012272100000000 ] - [ 0.0020905000000000, 0.0016632700000000, 0.0019780500000000 ] - [ 0.0006368000000000, -0.0001258600000000, 0.0004339000000000 ] - [ 0.0006756300000000, 0.0001274000000000, 0.0004626100000000 ] - [ -0.0003354900000000, -0.0002426200000000, -0.0004011200000000 ] - [ -0.0007628100000000, 0.0002908200000000, -0.0005921700000000 ] - [ -0.0005133900000000, -0.0003258600000000, 0.0003423200000000 ] - [ -0.0004444600000000, 0.0003293500000000, 0.0003747700000000 ] - [ 0.0005945000000000, -0.0001341600000000, 0.0006895300000000 ] - [ -0.0008650900000000, 0.0001354500000000, -0.0002436700000000 ] - [ 0.0016915400000000, 0.0023133700000000, -0.0000917700000000 ] - [ 0.0002672100000000, -0.0042601500000000, -0.0003941000000000 ] - [ 0.0007882500000000, 0.0004300500000000, 0.0001258600000000 ] - [ 0.0004270600000000, -0.0004172000000000, 0.0007302200000000 ] - [ 0.0009230600000000, 0.0016407100000000, 0.0010864100000000 ] - [ 0.0008899600000000, -0.0013060900000000, 0.0008996000000000 ] - [ 0.0138814500000000, 0.2026347900000000, 0.1073536500000000 ] - [ 0.0000840200000000, -0.0047533500000000, -0.0004990700000000 ] - [ 0.0005173300000000, -0.0002249000000000, -0.0000196600000000 ] - [ 0.0003091200000000, -0.0012325600000000, -0.0002258500000000 ] - [ 0.0004865500000000, -0.0002225100000000, 0.0000990600000000 ] - [ 0.0003387400000000, -0.0012326400000000, -0.0001524100000000 ] - [ 0.0026045000000000, -0.0004132800000000, -0.0007948700000000 ] - [ -0.0013320300000000, -0.0004014100000000, -0.0001335700000000 ] - [ 0.0005526100000000, 0.0001887300000000, 0.0016535400000000 ] - [ -0.0013418200000000, -0.0008786300000000, -0.0014881600000000 ] - [ -0.0006230300000000, 0.0000494900000000, -0.0006009800000000 ] - [ -0.0006710000000000, -0.0000446500000000, -0.0006204200000000 ] - [ 0.0008895400000000, -0.0102161900000000, 0.0026026100000000 ] - [ 0.0016721600000000, -0.0526676900000000, -0.0007797700000000 ] - [ 0.0003433300000000, 0.0004245200000000, 0.0003773800000000 ] - [ 0.0005209800000000, 0.0010370600000000, -0.0006752800000000 ] - [ 0.0005753500000000, 0.0004237100000000, -0.0001274900000000 ] - [ 0.0002960600000000, 0.0010346100000000, 0.0000447400000000 ] - [ -0.0006187800000000, -0.0014338600000000, 0.0000966700000000 ] - [ 0.0134343700000000, -0.0073352000000000, -0.0249518400000000 ] - [ 0.0000474900000000, -0.0001487800000000, -0.0009683000000000 ] - [ 0.0002384300000000, 0.0001595300000000, -0.0012024200000000 ] - [ 0.0004168800000000, -0.0009880500000000, -0.0012038900000000 ] - [ -0.0000935800000000, 0.0011050000000000, -0.0002479100000000 ] - [ 0.0003276000000000, -0.0011023500000000, 0.0003376400000000 ] - [ -0.0008273200000000, -0.0011087500000000, 0.0003865100000000 ] - [ -0.0000311300000000, -0.0008231600000000, 0.0001514900000000 ] - [ -0.0005951900000000, -0.0008271800000000, -0.0009064200000000 ] - [ -0.0002885900000000, -0.0006866600000000, -0.0002593600000000 ] - [ -0.0003044100000000, -0.0006883700000000, -0.0002285900000000 ] - [ 0.0002863600000000, 0.0018372500000000, 0.0007589800000000 ] - [ -0.0005070300000000, 0.0001739200000000, -0.0001937100000000 ] - [ -0.0000995500000000, 0.0016536100000000, 0.0000215900000000 ] - [ -0.0005808100000000, -0.0001179800000000, -0.0007880400000000 ] - [ -0.0002869700000000, 0.0007874600000000, -0.0002250200000000 ] - [ -0.0003066000000000, 0.0005922600000000, -0.0002618800000000 ] - [ 0.0015407800000000, -0.0011461600000000, 0.0013307800000000 ] - [ -0.0189202300000000, -0.0071676200000000, -0.0194312400000000 ] - [ 0.0006970900000000, -0.0001344600000000, 0.0004458100000000 ] - [ 0.0006073400000000, 0.0001392800000000, 0.0002242600000000 ] - [ 0.0009957700000000, -0.0002582800000000, 0.0005111900000000 ] - [ 0.0008280200000000, 0.0002636600000000, 0.0005956600000000 ] - [ 0.0009123100000000, 0.0001351100000000, 0.0007088700000000 ] - [ -0.0003882500000000, -0.0001672100000000, 0.0012005200000000 ] - [ 0.0004219500000000, 0.0005551000000000, 0.0010564700000000 ] - [ -0.0004315700000000, -0.0007096900000000, 0.0005034400000000 ] - [ 0.0001333700000000, 0.0000606900000000, 0.0006943100000000 ] - [ 0.0001375500000000, -0.0000581800000000, 0.0006411500000000 ] - [ 0.0002788200000000, -0.0006833600000000, 0.0002647700000000 ] - [ 0.0002513600000000, -0.0006854900000000, 0.0003099100000000 ] - [ 0.0002826400000000, -0.0007190600000000, 0.0000590600000000 ] - [ 0.0001491100000000, -0.0009508200000000, -0.0001896600000000 ] - [ 0.0000665000000000, -0.0009490400000000, -0.0001720400000000 ] - [ 0.0003017500000000, -0.0007204700000000, 0.0000992200000000 ] - [ -0.0010723500000000, -0.0003239100000000, -0.0005952100000000 ] - [ -0.0006998100000000, 0.0005528100000000, -0.0005102400000000 ] - [ -0.0007075100000000, -0.0000839800000000, -0.0005054800000000 ] - [ -0.0008550700000000, 0.0000876300000000, -0.0006389200000000 ] - [ -0.0010144300000000, -0.0002452400000000, -0.0008173600000000 ] - [ -0.0009654300000000, 0.0001999000000000, -0.0007725600000000 ] - [ 0.0002308200000000, 0.0008873900000000, 0.0002216300000000 ] - [ 0.0003044700000000, 0.0004656400000000, 0.0003661800000000 ] - [ 0.0002125600000000, 0.0010598800000000, -0.0001776400000000 ] - [ 0.0002201200000000, 0.0006150300000000, 0.0000453200000000 ] - [ 0.0000656300000000, 0.0010598700000000, -0.0002145200000000 ] - [ 0.0003070600000000, 0.0006143600000000, 0.0001439100000000 ] - [ -0.0002627200000000, 0.0001800700000000, -0.0006247000000000 ] - [ -0.0002270500000000, -0.0001844300000000, -0.0007039200000000 ] - [ -0.0000912900000000, 0.0000811200000000, -0.0009759300000000 ] - [ -0.0001087900000000, -0.0000802300000000, -0.0009951700000000 ] - [ -0.0004077000000000, 0.0000463600000000, -0.0008131300000000 ] - [ -0.0000501200000000, -0.0000462600000000, -0.0008036700000000 ] - [ -0.0019602700000000, 0.0019944700000000, -0.0004792700000000 ] - [ -0.0001871400000000, -0.0019206100000000, 0.0005225500000000 ] - [ -0.0003123400000000, -0.0003758800000000, -0.0003909700000000 ] - [ -0.0002472700000000, -0.0009333300000000, -0.0001443800000000 ] - [ -0.0004814800000000, 0.0003659000000000, -0.0011683900000000 ] - [ -0.0002465800000000, -0.0013882800000000, 0.0001217800000000 ] - [ -0.0010055900000000, -0.0003525700000000, -0.0003145200000000 ] - [ 0.0008203800000000, 0.0021702500000000, 0.0009850400000000 ] - [ -0.0003628700000000, 0.0005659800000000, -0.0001988500000000 ] - [ -0.0002041300000000, 0.0007411300000000, -0.0003278600000000 ] - [ -0.0005835800000000, -0.0007254400000000, -0.0017340000000000 ] - [ -0.0002634100000000, 0.0012022000000000, 0.0000560500000000 ] - [ 0.0003280100000000, 0.0000652700000000, 0.0005183300000000 ] - [ 0.0010000600000000, -0.0000846700000000, 0.0006730100000000 ] - [ 0.0004917000000000, 0.0000585600000000, 0.0002858900000000 ] - [ 0.0005088400000000, -0.0000569800000000, 0.0003349300000000 ] - [ -0.0007658900000000, 0.0000737600000000, -0.0000805300000000 ] - [ 0.0009390400000000, -0.0000675500000000, 0.0006436700000000 ] - [ -0.0004241100000000, -0.0010752400000000, 0.0010084700000000 ] - [ 0.0005891500000000, 0.0014300600000000, 0.0016947100000000 ] - [ 0.0000767600000000, -0.0004096700000000, 0.0008751100000000 ] - [ 0.0005855000000000, 0.0003919800000000, 0.0005648500000000 ] - [ 0.0002471300000000, -0.0002802600000000, 0.0004930400000000 ] - [ 0.0002071700000000, 0.0002320200000000, 0.0005522600000000 ]- atom: 37 displacement: [ -0.0037734251549958, 0.0000000000000000, 0.0092607376919792 ] forces: - [ 0.0003057600000000, -0.0003033900000000, 0.0001499900000000 ] - [ 0.0005082700000000, 0.0003180300000000, 0.0002328000000000 ] - [ -0.0000924000000000, -0.0002207700000000, 0.0006618700000000 ] - [ -0.0020140400000000, 0.0003611000000000, 0.0004147200000000 ] - [ -0.0004195100000000, -0.0000617800000000, -0.0008891900000000 ] - [ -0.0006125000000000, 0.0000669100000000, -0.0012335200000000 ] - [ -0.0009163700000000, 0.0004042900000000, 0.0030569600000000 ] - [ -0.0003198100000000, 0.0007789900000000, 0.0008870800000000 ] - [ 0.0027088900000000, 0.0036346600000000, 0.0004052800000000 ] - [ 0.0019496300000000, -0.0033434600000000, 0.0005357800000000 ] - [ 0.0004396000000000, 0.0000782200000000, -0.0016085400000000 ] - [ 0.0003333700000000, -0.0000687000000000, -0.0012496500000000 ] - [ -0.0009345800000000, -0.0017480300000000, 0.0023787600000000 ] - [ -0.0105189700000000, 0.0538728600000000, 0.0774281800000000 ] - [ -0.0005469400000000, 0.0000552100000000, -0.0011793600000000 ] - [ -0.0003006600000000, 0.0000626700000000, -0.0025342800000000 ] - [ 0.0001288800000000, -0.0007362400000000, -0.0008333900000000 ] - [ 0.0019672400000000, 0.0006543400000000, -0.0026710300000000 ] - [ 0.0046598900000000, -0.0004400200000000, 0.0019959700000000 ] - [ 0.0011765500000000, -0.0001275900000000, 0.0010293000000000 ] - [ -0.0017198000000000, 0.0010468600000000, -0.0008612200000000 ] - [ -0.0005241600000000, -0.0011512200000000, -0.0008018500000000 ] - [ 0.0009103300000000, 0.0000174300000000, -0.0006826800000000 ] - [ 0.0008536900000000, -0.0000160000000000, -0.0005742900000000 ] - [ -0.0001659900000000, 0.0001123100000000, 0.0007754000000000 ] - [ -0.0003638800000000, -0.0001275200000000, 0.0006363000000000 ] - [ -0.0011283500000000, 0.0001950200000000, -0.0008399700000000 ] - [ -0.0010523100000000, -0.0001956400000000, -0.0007439900000000 ] - [ -0.0020340800000000, -0.0000007700000000, -0.0008577700000000 ] - [ -0.0011101600000000, 0.0000055800000000, -0.0003324800000000 ] - [ -0.0001539700000000, -0.0005577900000000, 0.0015199700000000 ] - [ -0.0014523000000000, 0.0004867900000000, 0.0039911600000000 ] - [ 0.0013013800000000, -0.0000018500000000, -0.0002432900000000 ] - [ 0.0019119300000000, 0.0000156200000000, -0.0008965100000000 ] - [ 0.0004624200000000, -0.0012138100000000, -0.0013155700000000 ] - [ 0.0003543500000000, 0.0008772000000000, -0.0015315500000000 ] - [ 0.0087125700000000, -0.0993199700000000, -0.1165584300000000 ] - [ 0.0003713300000000, -0.0002352500000000, -0.0003613300000000 ] - [ 0.0000498100000000, -0.0006289800000000, 0.0011134700000000 ] - [ 0.0002761200000000, -0.0004548600000000, 0.0005579000000000 ] - [ -0.0000901800000000, -0.0005121600000000, 0.0010513100000000 ] - [ 0.0002120600000000, -0.0004004800000000, 0.0005307100000000 ] - [ -0.0042527900000000, 0.0012301400000000, -0.0003831100000000 ] - [ -0.0010293200000000, -0.0000652300000000, -0.0008943800000000 ] - [ 0.0008565900000000, -0.0012468100000000, 0.0013325000000000 ] - [ 0.0000410100000000, 0.0007162100000000, -0.0000878400000000 ] - [ -0.0007203900000000, -0.0000198100000000, -0.0002205300000000 ] - [ -0.0006905800000000, 0.0000229400000000, -0.0002500900000000 ] - [ 0.0004555400000000, 0.0027943400000000, -0.0021932700000000 ] - [ 0.0036083400000000, -0.0008631200000000, -0.0098972900000000 ] - [ 0.0002730800000000, 0.0003894000000000, 0.0006287200000000 ] - [ 0.0000209900000000, 0.0006491900000000, 0.0012025000000000 ] - [ 0.0000418700000000, 0.0009423700000000, 0.0005332700000000 ] - [ -0.0000211600000000, -0.0000910400000000, 0.0011779200000000 ] - [ 0.0005744800000000, 0.0001980700000000, -0.0017462200000000 ] - [ -0.0194476100000000, 0.0327313700000000, 0.0345842900000000 ] - [ -0.0003951300000000, 0.0000126600000000, -0.0003732200000000 ] - [ -0.0006569200000000, -0.0000298400000000, -0.0000164600000000 ] - [ -0.0006220200000000, 0.0006905100000000, -0.0004863700000000 ] - [ -0.0020151400000000, -0.0014809300000000, 0.0022667900000000 ] - [ -0.0008787800000000, -0.0000588500000000, -0.0009641600000000 ] - [ -0.0003245500000000, -0.0005352700000000, -0.0007385800000000 ] - [ 0.0001556500000000, -0.0013351100000000, 0.0004077600000000 ] - [ -0.0000013000000000, -0.0005706800000000, 0.0003426500000000 ] - [ -0.0003375200000000, -0.0008209000000000, 0.0001281900000000 ] - [ -0.0003414000000000, -0.0008540900000000, 0.0001267200000000 ] - [ -0.0011450400000000, 0.0001382600000000, -0.0011099700000000 ] - [ -0.0003793800000000, 0.0007109600000000, -0.0004549500000000 ] - [ 0.0001381200000000, 0.0006656800000000, 0.0003809500000000 ] - [ -0.0000518500000000, 0.0012315800000000, 0.0003080700000000 ] - [ -0.0003554900000000, 0.0008242800000000, 0.0001596700000000 ] - [ -0.0003237800000000, 0.0008509600000000, 0.0000953300000000 ] - [ 0.0004012500000000, 0.0002505400000000, -0.0001245700000000 ] - [ 0.0182171500000000, 0.0116074800000000, 0.0061293900000000 ] - [ 0.0008105500000000, -0.0000059600000000, 0.0008009100000000 ] - [ 0.0009587100000000, -0.0000099400000000, 0.0010802300000000 ] - [ 0.0002754300000000, 0.0001733900000000, 0.0005197200000000 ] - [ -0.0003054000000000, -0.0001824100000000, 0.0005895600000000 ] - [ -0.0008880200000000, 0.0000227300000000, 0.0009269800000000 ] - [ 0.0000189900000000, 0.0000090100000000, 0.0006416200000000 ] - [ 0.0007838700000000, -0.0003738200000000, 0.0005286900000000 ] - [ 0.0005498400000000, 0.0004637100000000, 0.0008289000000000 ] - [ -0.0000720800000000, -0.0000355300000000, 0.0011804500000000 ] - [ -0.0000496000000000, 0.0000370700000000, 0.0011337200000000 ] - [ 0.0001521100000000, -0.0009151600000000, -0.0002234500000000 ] - [ 0.0002246100000000, -0.0008623600000000, -0.0001939300000000 ] - [ 0.0004085900000000, -0.0007019000000000, 0.0003089500000000 ] - [ 0.0004341600000000, -0.0005399000000000, 0.0004214500000000 ] - [ 0.0005465500000000, -0.0004939300000000, 0.0004677700000000 ] - [ 0.0004038000000000, -0.0006716000000000, 0.0003080400000000 ] - [ -0.0005212000000000, 0.0000869700000000, -0.0007010500000000 ] - [ -0.0003912400000000, -0.0000099100000000, -0.0010245800000000 ] - [ -0.0008778400000000, 0.0000108600000000, -0.0005374600000000 ] - [ -0.0009477000000000, -0.0000077900000000, -0.0004654400000000 ] - [ -0.0001801100000000, 0.0001755200000000, -0.0000451800000000 ] - [ -0.0001445700000000, -0.0001232400000000, -0.0000140800000000 ] - [ 0.0001391100000000, 0.0008420500000000, -0.0002358700000000 ] - [ 0.0002141900000000, 0.0009467300000000, -0.0001876400000000 ] - [ 0.0004494000000000, 0.0005014100000000, 0.0004506100000000 ] - [ 0.0003900000000000, 0.0007412700000000, 0.0002832300000000 ] - [ 0.0005521800000000, 0.0004813500000000, 0.0004930500000000 ] - [ 0.0003947800000000, 0.0006825900000000, 0.0002857900000000 ] - [ -0.0000872800000000, -0.0000963400000000, -0.0010744100000000 ] - [ -0.0000235100000000, 0.0000998600000000, -0.0010215800000000 ] - [ 0.0000120500000000, -0.0000474400000000, -0.0005860800000000 ] - [ -0.0000084100000000, 0.0000477700000000, -0.0006219700000000 ] - [ 0.0002210500000000, 0.0000010900000000, -0.0008783200000000 ] - [ -0.0000078800000000, -0.0000009000000000, -0.0008503400000000 ] - [ -0.0013507400000000, -0.0004243200000000, -0.0024691000000000 ] - [ -0.0002598100000000, -0.0001725800000000, -0.0008924900000000 ] - [ -0.0005173800000000, -0.0009653400000000, 0.0003228600000000 ] - [ -0.0004223600000000, -0.0007631200000000, 0.0000990000000000 ] - [ -0.0000545600000000, -0.0016165800000000, 0.0010649200000000 ] - [ -0.0002671100000000, -0.0005201000000000, 0.0000794000000000 ] - [ -0.0000417400000000, 0.0006384100000000, -0.0008921000000000 ] - [ -0.0004421300000000, 0.0001198600000000, -0.0016482800000000 ] - [ -0.0004388300000000, 0.0007702800000000, 0.0001301000000000 ] - [ -0.0005109600000000, 0.0009489600000000, 0.0002914700000000 ] - [ -0.0000140200000000, 0.0020956400000000, 0.0015177600000000 ] - [ -0.0001985900000000, 0.0005760500000000, 0.0002463400000000 ] - [ 0.0000465400000000, -0.0000535200000000, 0.0001047400000000 ] - [ 0.0001789800000000, 0.0000526300000000, 0.0001881700000000 ] - [ 0.0009237600000000, -0.0000317500000000, 0.0008384300000000 ] - [ 0.0008719600000000, 0.0000276900000000, 0.0007661800000000 ] - [ 0.0021268600000000, 0.0000006500000000, 0.0009773300000000 ] - [ 0.0009701000000000, -0.0000348000000000, 0.0005832700000000 ] - [ 0.0008921700000000, 0.0006078000000000, 0.0001394400000000 ] - [ 0.0029521000000000, -0.0013991200000000, 0.0003729900000000 ] - [ -0.0003692500000000, -0.0000220400000000, 0.0010167500000000 ] - [ -0.0010382100000000, 0.0000039500000000, 0.0014002800000000 ] - [ -0.0002064100000000, 0.0001963900000000, 0.0013566700000000 ] - [ -0.0001825600000000, -0.0001433200000000, 0.0014008200000000 ]- atom: 37 displacement: [ 0.0037734251549958, 0.0000000000000000, -0.0092607376919792 ] forces: - [ -0.0003074900000000, 0.0003074900000000, -0.0001539700000000 ] - [ -0.0005129600000000, -0.0003214800000000, -0.0002388800000000 ] - [ 0.0000983100000000, 0.0002234600000000, -0.0006639700000000 ] - [ 0.0020486100000000, -0.0003631700000000, -0.0004103900000000 ] - [ 0.0004226100000000, 0.0000634200000000, 0.0008955900000000 ] - [ 0.0006153700000000, -0.0000678600000000, 0.0012423300000000 ] - [ 0.0008655200000000, -0.0005488600000000, -0.0032672000000000 ] - [ 0.0003169200000000, -0.0007679700000000, -0.0009295800000000 ] - [ -0.0027416400000000, -0.0036499400000000, -0.0003744100000000 ] - [ -0.0019595800000000, 0.0033399700000000, -0.0005229700000000 ] - [ -0.0004420700000000, -0.0000772600000000, 0.0016199900000000 ] - [ -0.0003337400000000, 0.0000680900000000, 0.0012555100000000 ] - [ -0.0005399000000000, 0.0017647600000000, -0.0026249700000000 ] - [ 0.0097378500000000, -0.0510324200000000, -0.0764954300000000 ] - [ -0.0009288600000000, -0.0000550100000000, 0.0009390000000000 ] - [ -0.0011764000000000, -0.0000604600000000, 0.0022915900000000 ] - [ -0.0016107700000000, 0.0007474400000000, 0.0005899500000000 ] - [ -0.0034690800000000, -0.0006620000000000, 0.0024431300000000 ] - [ -0.0032269300000000, 0.0004366800000000, -0.0017831700000000 ] - [ 0.0003020500000000, 0.0001341900000000, -0.0007963600000000 ] - [ 0.0031928300000000, -0.0010587600000000, 0.0011199900000000 ] - [ 0.0019988900000000, 0.0011633800000000, 0.0010603900000000 ] - [ 0.0005575700000000, -0.0000167000000000, 0.0009300300000000 ] - [ 0.0006147100000000, 0.0000159200000000, 0.0008204300000000 ] - [ -0.0013054100000000, -0.0001138900000000, -0.0010252100000000 ] - [ -0.0011052000000000, 0.0001296900000000, -0.0008845500000000 ] - [ -0.0003372700000000, -0.0001967500000000, 0.0006032000000000 ] - [ -0.0004144100000000, 0.0001980800000000, 0.0005056900000000 ] - [ 0.0005776500000000, 0.0000001800000000, 0.0006180900000000 ] - [ -0.0003611400000000, -0.0000043700000000, 0.0000850400000000 ] - [ 0.0016345900000000, 0.0005636000000000, -0.0012913900000000 ] - [ 0.0029166700000000, -0.0004812700000000, -0.0037849500000000 ] - [ 0.0001718500000000, 0.0000026100000000, 0.0004911400000000 ] - [ -0.0004364700000000, -0.0000155700000000, 0.0011460700000000 ] - [ 0.0010146100000000, 0.0012341000000000, 0.0015735800000000 ] - [ 0.0011244200000000, -0.0008910400000000, 0.0017885700000000 ] - [ -0.0083886600000000, 0.0947113600000000, 0.1154555300000000 ] - [ 0.0002374900000000, -0.0012430000000000, 0.0006252200000000 ] - [ 0.0005597700000000, -0.0008364900000000, -0.0008501900000000 ] - [ 0.0003334900000000, -0.0010102700000000, -0.0002954100000000 ] - [ 0.0007035500000000, -0.0009530100000000, -0.0007944300000000 ] - [ 0.0003973500000000, -0.0010673400000000, -0.0002679300000000 ] - [ 0.0029559900000000, -0.0012509100000000, -0.0006355600000000 ] - [ -0.0003272000000000, 0.0000668000000000, -0.0001121800000000 ] - [ -0.0022022500000000, 0.0012414400000000, -0.0023271300000000 ] - [ -0.0013936700000000, -0.0007172100000000, -0.0009313500000000 ] - [ -0.0006314100000000, 0.0000226200000000, -0.0007925700000000 ] - [ -0.0006619500000000, -0.0000198600000000, -0.0007628000000000 ] - [ 0.0001508600000000, -0.0013206100000000, 0.0024795900000000 ] - [ -0.0029911700000000, 0.0019303400000000, 0.0101504600000000 ] - [ 0.0003360200000000, 0.0010771100000000, -0.0003661200000000 ] - [ 0.0005877300000000, 0.0008161400000000, -0.0009363500000000 ] - [ 0.0005697600000000, 0.0005181300000000, -0.0002697500000000 ] - [ 0.0006331100000000, 0.0015662800000000, -0.0009227600000000 ] - [ -0.0007084500000000, -0.0002007200000000, 0.0000884300000000 ] - [ 0.0188800900000000, -0.0319026000000000, -0.0354667100000000 ] - [ 0.0002624800000000, -0.0000132000000000, -0.0012883000000000 ] - [ 0.0005243000000000, 0.0000295700000000, -0.0016450400000000 ] - [ 0.0004927600000000, -0.0007014300000000, -0.0011738600000000 ] - [ 0.0019101700000000, 0.0015149200000000, -0.0039850700000000 ] - [ 0.0002762200000000, -0.0014112400000000, 0.0007069000000000 ] - [ -0.0002863200000000, -0.0009322100000000, 0.0004779900000000 ] - [ -0.0007634700000000, -0.0001244100000000, -0.0006794500000000 ] - [ -0.0006069800000000, -0.0008954900000000, -0.0006166600000000 ] - [ -0.0002692400000000, -0.0006437500000000, -0.0003960700000000 ] - [ -0.0002652200000000, -0.0006103800000000, -0.0003940000000000 ] - [ 0.0005424200000000, 0.0013373300000000, 0.0008579000000000 ] - [ -0.0002300700000000, 0.0007510300000000, 0.0001901800000000 ] - [ -0.0007470700000000, 0.0008001200000000, -0.0006540700000000 ] - [ -0.0005573100000000, 0.0002280200000000, -0.0005797200000000 ] - [ -0.0002516200000000, 0.0006405900000000, -0.0004271000000000 ] - [ -0.0002836900000000, 0.0006140800000000, -0.0003620300000000 ] - [ 0.0009548700000000, -0.0002553500000000, 0.0011367200000000 ] - [ -0.0168617400000000, -0.0116291300000000, -0.0053256700000000 ] - [ 0.0005457600000000, 0.0000037700000000, 0.0002087900000000 ] - [ 0.0003988100000000, 0.0000075800000000, -0.0000703200000000 ] - [ 0.0010844100000000, -0.0001780000000000, 0.0004924600000000 ] - [ 0.0016726400000000, 0.0001826400000000, 0.0004234100000000 ] - [ 0.0010335700000000, -0.0000209300000000, 0.0007308700000000 ] - [ 0.0001135900000000, -0.0000086900000000, 0.0010197500000000 ] - [ -0.0006502600000000, 0.0003800600000000, 0.0011246500000000 ] - [ -0.0004165500000000, -0.0004682900000000, 0.0008242100000000 ] - [ 0.0002100600000000, 0.0000366000000000, 0.0004737500000000 ] - [ 0.0001877000000000, -0.0000360900000000, 0.0005205600000000 ] - [ 0.0004568200000000, -0.0005477000000000, 0.0004904700000000 ] - [ 0.0003834000000000, -0.0006013800000000, 0.0004603500000000 ] - [ 0.0001985000000000, -0.0007629500000000, -0.0000470300000000 ] - [ 0.0001726100000000, -0.0009268900000000, -0.0001609200000000 ] - [ 0.0000592300000000, -0.0009728100000000, -0.0002060100000000 ] - [ 0.0002044400000000, -0.0007929300000000, -0.0000436200000000 ] - [ -0.0008349300000000, -0.0000849300000000, -0.0003094200000000 ] - [ -0.0009595100000000, 0.0000123100000000, 0.0000194300000000 ] - [ -0.0004784400000000, -0.0000081000000000, -0.0004762700000000 ] - [ -0.0004125700000000, 0.0000105700000000, -0.0005490100000000 ] - [ -0.0011802400000000, -0.0001755500000000, -0.0009721300000000 ] - [ -0.0012159700000000, 0.0001281600000000, -0.0010029800000000 ] - [ 0.0004692500000000, 0.0006234700000000, 0.0005030400000000 ] - [ 0.0003934600000000, 0.0005166300000000, 0.0004548300000000 ] - [ 0.0001565400000000, 0.0009664800000000, -0.0001896800000000 ] - [ 0.0002164400000000, 0.0007244600000000, -0.0000201200000000 ] - [ 0.0000530900000000, 0.0009870000000000, -0.0002308300000000 ] - [ 0.0002131700000000, 0.0007819200000000, -0.0000206100000000 ] - [ -0.0000498100000000, 0.0000973600000000, -0.0005824800000000 ] - [ -0.0001140400000000, -0.0001015200000000, -0.0006359800000000 ] - [ -0.0001481200000000, 0.0000477100000000, -0.0010754600000000 ] - [ -0.0001285700000000, -0.0000485700000000, -0.0010379600000000 ] - [ -0.0003601900000000, -0.0000010900000000, -0.0007789600000000 ] - [ -0.0001274100000000, 0.0000003500000000, -0.0008077200000000 ] - [ 0.0007640900000000, -0.0010441300000000, 0.0022068800000000 ] - [ -0.0003468600000000, -0.0012975400000000, 0.0006307200000000 ] - [ -0.0000907500000000, -0.0004970000000000, -0.0005929900000000 ] - [ -0.0001851700000000, -0.0007009500000000, -0.0003678300000000 ] - [ -0.0005564900000000, 0.0001640400000000, -0.0013448000000000 ] - [ -0.0003404800000000, -0.0009504800000000, -0.0003450500000000 ] - [ -0.0005673900000000, 0.0008292300000000, 0.0006324200000000 ] - [ -0.0001586100000000, 0.0013460200000000, 0.0013877900000000 ] - [ -0.0001694000000000, 0.0006934200000000, -0.0003988900000000 ] - [ -0.0000977400000000, 0.0005147000000000, -0.0005604400000000 ] - [ -0.0005983900000000, -0.0006504900000000, -0.0018076400000000 ] - [ -0.0004108000000000, 0.0008936800000000, -0.0005125100000000 ] - [ 0.0013092100000000, 0.0000519600000000, 0.0009063300000000 ] - [ 0.0011750700000000, -0.0000553100000000, 0.0008222100000000 ] - [ 0.0004270200000000, 0.0000294100000000, 0.0001679000000000 ] - [ 0.0004798500000000, -0.0000301600000000, 0.0002416600000000 ] - [ -0.0007896800000000, -0.0000016500000000, 0.0000292600000000 ] - [ 0.0003859400000000, 0.0000321300000000, 0.0004290700000000 ] - [ -0.0007646500000000, -0.0006163600000000, 0.0015258000000000 ] - [ -0.0028372900000000, 0.0014148600000000, 0.0012974600000000 ] - [ 0.0005053000000000, 0.0000235300000000, 0.0006394200000000 ] - [ 0.0011738900000000, -0.0000034200000000, 0.0002544800000000 ] - [ 0.0003445900000000, -0.0001983500000000, 0.0002950100000000 ] - [ 0.0003192000000000, 0.0001465900000000, 0.0002520400000000 ]- atom: 43 displacement: [ 0.0099999527214042, 0.0000000000000000, -0.0000307501167644 ] forces: - [ -0.0025554600000000, 0.0041634200000000, 0.0019897800000000 ] - [ -0.0025554600000000, -0.0041634200000000, 0.0019897800000000 ] - [ 0.0003330200000000, 0.0021330800000000, -0.0033524000000000 ] - [ 0.0003330200000000, -0.0021330800000000, -0.0033524000000000 ] - [ -0.0004229700000000, 0.0000586900000000, -0.0001451300000000 ] - [ -0.0004229700000000, -0.0000586900000000, -0.0001451300000000 ] - [ 0.0055684500000000, 0.0000000000000000, 0.0006251800000000 ] - [ -0.0002780700000000, 0.0000000000000000, 0.0001419700000000 ] - [ -0.0012948400000000, 0.0000000000000000, 0.0010709300000000 ] - [ -0.0006368900000000, 0.0000000000000000, 0.0004901600000000 ] - [ 0.0003955100000000, 0.0000000000000000, -0.0017080600000000 ] - [ 0.0002172700000000, 0.0000000000000000, -0.0008345600000000 ] - [ 0.0010722300000000, -0.0033540600000000, 0.0035604400000000 ] - [ 0.0010722300000000, 0.0033540600000000, 0.0035604400000000 ] - [ -0.0002034700000000, -0.0000254900000000, -0.0000625100000000 ] - [ -0.0002034700000000, 0.0000254900000000, -0.0000625100000000 ] - [ 0.0050148500000000, -0.0028873900000000, -0.0012839300000000 ] - [ 0.0050148500000000, 0.0028873900000000, -0.0012839300000000 ] - [ 0.1622477800000000, 0.0000000000000000, 0.0644785700000000 ] - [ 0.0029140800000000, 0.0000000000000000, 0.0018904100000000 ] - [ 0.0027893100000000, 0.0000000000000000, -0.0002706900000000 ] - [ 0.0018180200000000, 0.0000000000000000, 0.0000409600000000 ] - [ 0.0013476600000000, 0.0000000000000000, 0.0022382300000000 ] - [ 0.0012307200000000, 0.0000000000000000, 0.0009293300000000 ] - [ -0.0041962400000000, 0.0000000000000000, -0.0026601100000000 ] - [ -0.0018404500000000, 0.0000000000000000, -0.0009152600000000 ] - [ -0.0013686500000000, 0.0000000000000000, -0.0014540600000000 ] - [ -0.0012163400000000, 0.0000000000000000, -0.0011431400000000 ] - [ -0.0056669700000000, 0.0000000000000000, -0.0000908100000000 ] - [ -0.0024719800000000, 0.0000000000000000, 0.0000918000000000 ] - [ -0.0022915100000000, -0.0008022000000000, 0.0007778600000000 ] - [ -0.0022915100000000, 0.0008022000000000, 0.0007778600000000 ] - [ -0.0004362300000000, 0.0000499800000000, -0.0005801500000000 ] - [ -0.0004362300000000, -0.0000499800000000, -0.0005801500000000 ] - [ -0.0000536700000000, -0.0014719600000000, -0.0018542000000000 ] - [ -0.0000536700000000, 0.0014719600000000, -0.0018542000000000 ] - [ 0.0011468300000000, -0.0039896900000000, -0.0033961400000000 ] - [ 0.0001120400000000, -0.0000765100000000, -0.0003239200000000 ] - [ 0.0002287400000000, -0.0007852400000000, 0.0000535400000000 ] - [ 0.0002405700000000, -0.0007382200000000, 0.0000905700000000 ] - [ -0.0008625000000000, -0.0019576800000000, 0.0013039900000000 ] - [ -0.0004403600000000, -0.0000669900000000, 0.0006012500000000 ] - [ -0.2568685400000000, 0.0000000000000000, -0.1064711200000000 ] - [ -0.0023013000000000, 0.0000000000000000, -0.0013422300000000 ] - [ -0.0015514600000000, 0.0000000000000000, -0.0009860100000000 ] - [ -0.0011854800000000, 0.0000000000000000, -0.0007471700000000 ] - [ -0.0015547400000000, 0.0000000000000000, -0.0009884500000000 ] - [ -0.0011860000000000, 0.0000000000000000, -0.0007533300000000 ] - [ 0.0011468300000000, 0.0039896900000000, -0.0033961400000000 ] - [ 0.0001120400000000, 0.0000765100000000, -0.0003239200000000 ] - [ 0.0002287400000000, 0.0007852400000000, 0.0000535400000000 ] - [ 0.0002405700000000, 0.0007382200000000, 0.0000905700000000 ] - [ -0.0008625000000000, 0.0019576800000000, 0.0013039900000000 ] - [ -0.0004403600000000, 0.0000669900000000, 0.0006012500000000 ] - [ 0.0002638500000000, 0.0005404800000000, -0.0018436300000000 ] - [ 0.0002638500000000, -0.0005404800000000, -0.0018436300000000 ] - [ -0.0003331400000000, 0.0000381800000000, -0.0006511600000000 ] - [ -0.0003331400000000, -0.0000381800000000, -0.0006511600000000 ] - [ -0.0011893000000000, 0.0032685200000000, 0.0010818200000000 ] - [ -0.0011893000000000, -0.0032685200000000, 0.0010818200000000 ] - [ 0.0144476100000000, -0.0203759100000000, 0.0249196900000000 ] - [ -0.0008306500000000, 0.0001210400000000, -0.0006437800000000 ] - [ -0.0006123100000000, -0.0008004900000000, 0.0000423300000000 ] - [ -0.0005036200000000, -0.0007124400000000, -0.0000707300000000 ] - [ -0.0002735000000000, -0.0005787800000000, -0.0011883600000000 ] - [ -0.0004399100000000, -0.0004141900000000, -0.0006245900000000 ] - [ 0.0144476100000000, 0.0203759100000000, 0.0249196900000000 ] - [ -0.0008306500000000, -0.0001210400000000, -0.0006437800000000 ] - [ -0.0006123100000000, 0.0008004900000000, 0.0000423300000000 ] - [ -0.0005036200000000, 0.0007124400000000, -0.0000707300000000 ] - [ -0.0002735000000000, 0.0005787800000000, -0.0011883600000000 ] - [ -0.0004399100000000, 0.0004141900000000, -0.0006245900000000 ] - [ -0.0013091300000000, 0.0002678800000000, -0.0004683000000000 ] - [ -0.0013091300000000, -0.0002678800000000, -0.0004683000000000 ] - [ 0.0003874400000000, -0.0000158900000000, 0.0003573500000000 ] - [ 0.0003874400000000, 0.0000158900000000, 0.0003573500000000 ] - [ -0.0023139200000000, -0.0006430600000000, -0.0009768000000000 ] - [ -0.0023139200000000, 0.0006430600000000, -0.0009768000000000 ] - [ 0.0554222200000000, 0.0000000000000000, -0.0058471000000000 ] - [ -0.0004005500000000, 0.0000000000000000, 0.0006302700000000 ] - [ -0.0011086700000000, 0.0000000000000000, 0.0017326900000000 ] - [ -0.0005411700000000, 0.0000000000000000, 0.0011185500000000 ] - [ 0.0002726200000000, 0.0000000000000000, 0.0003995100000000 ] - [ 0.0001032300000000, 0.0000000000000000, 0.0006530000000000 ] - [ 0.0016713600000000, -0.0007026000000000, 0.0010020800000000 ] - [ 0.0006354900000000, -0.0003379800000000, 0.0004389800000000 ] - [ 0.0004241500000000, -0.0004458400000000, 0.0007571700000000 ] - [ 0.0004253400000000, -0.0003971400000000, 0.0007199200000000 ] - [ 0.0011287400000000, -0.0005602900000000, 0.0001745300000000 ] - [ 0.0006551400000000, -0.0007022800000000, 0.0000587300000000 ] - [ 0.0010113400000000, 0.0000569200000000, -0.0001572300000000 ] - [ 0.0010113400000000, -0.0000569200000000, -0.0001572300000000 ] - [ 0.0001504300000000, -0.0000859900000000, 0.0000001000000000 ] - [ 0.0001504300000000, 0.0000859900000000, 0.0000001000000000 ] - [ 0.0001481900000000, 0.0001969200000000, 0.0001263200000000 ] - [ 0.0001481900000000, -0.0001969200000000, 0.0001263200000000 ] - [ 0.0016713600000000, 0.0007026000000000, 0.0010020800000000 ] - [ 0.0006354900000000, 0.0003379800000000, 0.0004389800000000 ] - [ 0.0004241500000000, 0.0004458400000000, 0.0007571700000000 ] - [ 0.0004253400000000, 0.0003971400000000, 0.0007199200000000 ] - [ 0.0011287400000000, 0.0005602900000000, 0.0001745300000000 ] - [ 0.0006551400000000, 0.0007022800000000, 0.0000587300000000 ] - [ 0.0007333600000000, 0.0000000000000000, 0.0000092800000000 ] - [ 0.0001852000000000, 0.0000000000000000, -0.0007125400000000 ] - [ -0.0000163400000000, 0.0000000000000000, -0.0005253400000000 ] - [ -0.0000540500000000, 0.0000000000000000, -0.0005805700000000 ] - [ 0.0026197700000000, 0.0000000000000000, -0.0021860100000000 ] - [ 0.0008426500000000, 0.0000000000000000, -0.0012953200000000 ] - [ 0.0005376100000000, -0.0010790300000000, -0.0004641800000000 ] - [ 0.0001565500000000, -0.0004135300000000, -0.0004765800000000 ] - [ -0.0000819400000000, -0.0009153500000000, 0.0002256500000000 ] - [ -0.0001019100000000, -0.0008993000000000, 0.0001613700000000 ] - [ 0.0001092000000000, -0.0021605900000000, 0.0015986100000000 ] - [ -0.0001512900000000, -0.0004739100000000, 0.0002452400000000 ] - [ 0.0005376100000000, 0.0010790300000000, -0.0004641800000000 ] - [ 0.0001565500000000, 0.0004135300000000, -0.0004765800000000 ] - [ -0.0000819400000000, 0.0009153500000000, 0.0002256500000000 ] - [ -0.0001019100000000, 0.0008993000000000, 0.0001613700000000 ] - [ 0.0001092000000000, 0.0021605900000000, 0.0015986100000000 ] - [ -0.0001512900000000, 0.0004739100000000, 0.0002452400000000 ] - [ 0.0025064700000000, 0.0000000000000000, 0.0013908400000000 ] - [ 0.0014981500000000, 0.0000000000000000, 0.0008697400000000 ] - [ 0.0012516500000000, 0.0000000000000000, 0.0010611900000000 ] - [ 0.0011308200000000, 0.0000000000000000, 0.0009225400000000 ] - [ 0.0053130400000000, 0.0000000000000000, 0.0019471900000000 ] - [ 0.0016269100000000, 0.0000000000000000, 0.0007808600000000 ] - [ 0.0015708400000000, 0.0009934300000000, 0.0000624600000000 ] - [ 0.0015708400000000, -0.0009934300000000, 0.0000624600000000 ] - [ 0.0004973000000000, -0.0000061200000000, 0.0007684600000000 ] - [ 0.0004973000000000, 0.0000061200000000, 0.0007684600000000 ] - [ -0.0001101400000000, 0.0002563600000000, 0.0014448300000000 ] - [ -0.0001101400000000, -0.0002563600000000, 0.0014448300000000 ]- atom: 43 displacement: [ -0.0099999527214042, 0.0000000000000000, 0.0000307501167644 ] forces: - [ 0.0025836200000000, -0.0041490500000000, -0.0019917200000000 ] - [ 0.0025836200000000, 0.0041490500000000, -0.0019917200000000 ] - [ -0.0003291200000000, -0.0021434100000000, 0.0033722500000000 ] - [ -0.0003291200000000, 0.0021434100000000, 0.0033722500000000 ] - [ 0.0004272800000000, -0.0000570000000000, 0.0001512800000000 ] - [ 0.0004272800000000, 0.0000570000000000, 0.0001512800000000 ] - [ -0.0063219100000000, 0.0000000000000000, -0.0008200100000000 ] - [ 0.0002586100000000, 0.0000000000000000, -0.0001420400000000 ] - [ 0.0012946600000000, 0.0000000000000000, -0.0010862200000000 ] - [ 0.0006348700000000, 0.0000000000000000, -0.0004974200000000 ] - [ -0.0004110500000000, 0.0000000000000000, 0.0017006400000000 ] - [ -0.0002249100000000, 0.0000000000000000, 0.0008296000000000 ] - [ -0.0025723300000000, 0.0033726200000000, -0.0038216000000000 ] - [ -0.0025723300000000, -0.0033726200000000, -0.0038216000000000 ] - [ -0.0012709200000000, 0.0000252700000000, -0.0001871400000000 ] - [ -0.0012709200000000, -0.0000252700000000, -0.0001871400000000 ] - [ -0.0065519900000000, 0.0028476000000000, 0.0010128100000000 ] - [ -0.0065519900000000, -0.0028476000000000, 0.0010128100000000 ] - [ -0.1498379700000000, 0.0000000000000000, -0.0575157300000000 ] - [ -0.0014436200000000, 0.0000000000000000, -0.0016516600000000 ] - [ -0.0013310600000000, 0.0000000000000000, 0.0005233500000000 ] - [ -0.0003526000000000, 0.0000000000000000, 0.0002053300000000 ] - [ 0.0001363600000000, 0.0000000000000000, -0.0019983100000000 ] - [ 0.0002446700000000, 0.0000000000000000, -0.0006900500000000 ] - [ 0.0027414200000000, 0.0000000000000000, 0.0024129500000000 ] - [ 0.0003751300000000, 0.0000000000000000, 0.0006718300000000 ] - [ -0.0001037900000000, 0.0000000000000000, 0.0012189100000000 ] - [ -0.0002569000000000, 0.0000000000000000, 0.0009043700000000 ] - [ 0.0042346700000000, 0.0000000000000000, -0.0001274800000000 ] - [ 0.0010065400000000, 0.0000000000000000, -0.0003350300000000 ] - [ 0.0037824700000000, 0.0008173800000000, -0.0005457600000000 ] - [ 0.0037824700000000, -0.0008173800000000, -0.0005457600000000 ] - [ 0.0019136000000000, -0.0000502900000000, 0.0008236300000000 ] - [ 0.0019136000000000, 0.0000502900000000, 0.0008236300000000 ] - [ 0.0015212800000000, 0.0014936500000000, 0.0021175000000000 ] - [ 0.0015212800000000, -0.0014936500000000, 0.0021175000000000 ] - [ -0.0005430600000000, 0.0025595500000000, 0.0037011100000000 ] - [ 0.0004989200000000, -0.0013920600000000, 0.0005906400000000 ] - [ 0.0003778800000000, -0.0006785000000000, 0.0002139600000000 ] - [ 0.0003658900000000, -0.0007254800000000, 0.0001765700000000 ] - [ 0.0014893400000000, 0.0004860500000000, -0.0010244400000000 ] - [ 0.0010560100000000, -0.0013896200000000, -0.0003311900000000 ] - [ 0.2442929100000000, 0.0000000000000000, 0.0986800900000000 ] - [ 0.0009525900000000, 0.0000000000000000, 0.0003322900000000 ] - [ 0.0002008500000000, 0.0000000000000000, -0.0000244100000000 ] - [ -0.0001680500000000, 0.0000000000000000, -0.0002640400000000 ] - [ 0.0001951100000000, 0.0000000000000000, -0.0000213900000000 ] - [ -0.0001711900000000, 0.0000000000000000, -0.0002573700000000 ] - [ -0.0005430600000000, -0.0025595500000000, 0.0037011100000000 ] - [ 0.0004989200000000, 0.0013920600000000, 0.0005906400000000 ] - [ 0.0003778800000000, 0.0006785000000000, 0.0002139600000000 ] - [ 0.0003658900000000, 0.0007254800000000, 0.0001765700000000 ] - [ 0.0014893400000000, -0.0004860500000000, -0.0010244400000000 ] - [ 0.0010560100000000, 0.0013896200000000, -0.0003311900000000 ] - [ -0.0004001700000000, -0.0005446200000000, 0.0001910700000000 ] - [ -0.0004001700000000, 0.0005446200000000, 0.0001910700000000 ] - [ 0.0001948800000000, -0.0000378800000000, -0.0010051000000000 ] - [ 0.0001948800000000, 0.0000378800000000, -0.0010051000000000 ] - [ 0.0010829900000000, -0.0032889100000000, -0.0027516400000000 ] - [ 0.0010829900000000, 0.0032889100000000, -0.0027516400000000 ] - [ -0.0151113800000000, 0.0187723000000000, -0.0249692200000000 ] - [ 0.0002211600000000, -0.0015891600000000, 0.0003770500000000 ] - [ 0.0000041900000000, -0.0006616500000000, -0.0003116700000000 ] - [ -0.0001050200000000, -0.0007521000000000, -0.0001962700000000 ] - [ -0.0003413300000000, -0.0008864800000000, 0.0009228600000000 ] - [ -0.0001720900000000, -0.0010521400000000, 0.0003609800000000 ] - [ -0.0151113800000000, -0.0187723000000000, -0.0249692200000000 ] - [ 0.0002211600000000, 0.0015891600000000, 0.0003770500000000 ] - [ 0.0000041900000000, 0.0006616500000000, -0.0003116700000000 ] - [ -0.0001050200000000, 0.0007521000000000, -0.0001962700000000 ] - [ -0.0003413300000000, 0.0008864800000000, 0.0009228600000000 ] - [ -0.0001720900000000, 0.0010521400000000, 0.0003609800000000 ] - [ 0.0026775300000000, -0.0002684900000000, 0.0014839300000000 ] - [ 0.0026775300000000, 0.0002684900000000, 0.0014839300000000 ] - [ 0.0009660700000000, 0.0000160800000000, 0.0006551500000000 ] - [ 0.0009660700000000, -0.0000160800000000, 0.0006551500000000 ] - [ 0.0036716100000000, 0.0006667200000000, 0.0020073700000000 ] - [ 0.0036716100000000, -0.0006667200000000, 0.0020073700000000 ] - [ -0.0538755000000000, 0.0000000000000000, 0.0073374300000000 ] - [ 0.0005296900000000, 0.0000000000000000, 0.0010296500000000 ] - [ 0.0012494700000000, 0.0000000000000000, -0.0000843500000000 ] - [ 0.0006785400000000, 0.0000000000000000, 0.0005364600000000 ] - [ -0.0001424200000000, 0.0000000000000000, 0.0012593800000000 ] - [ 0.0000292800000000, 0.0000000000000000, 0.0010053200000000 ] - [ -0.0010741100000000, -0.0007631800000000, -0.0007342800000000 ] - [ -0.0000325600000000, -0.0011271100000000, -0.0001736900000000 ] - [ 0.0001813400000000, -0.0010204200000000, -0.0004962700000000 ] - [ 0.0001803700000000, -0.0010692800000000, -0.0004583100000000 ] - [ -0.0005304900000000, -0.0009129600000000, 0.0000803000000000 ] - [ -0.0000514200000000, -0.0007625200000000, 0.0002051400000000 ] - [ -0.0023787700000000, -0.0000595300000000, -0.0008557200000000 ] - [ -0.0023787700000000, 0.0000595300000000, -0.0008557200000000 ] - [ -0.0015116800000000, 0.0000863100000000, -0.0010140400000000 ] - [ -0.0015116800000000, -0.0000863100000000, -0.0010140400000000 ] - [ -0.0015092900000000, -0.0002000400000000, -0.0011441500000000 ] - [ -0.0015092900000000, 0.0002000400000000, -0.0011441500000000 ] - [ -0.0010741100000000, 0.0007631800000000, -0.0007342800000000 ] - [ -0.0000325600000000, 0.0011271100000000, -0.0001736900000000 ] - [ 0.0001813400000000, 0.0010204200000000, -0.0004962700000000 ] - [ 0.0001803700000000, 0.0010692800000000, -0.0004583100000000 ] - [ -0.0005304900000000, 0.0009129600000000, 0.0000803000000000 ] - [ -0.0000514200000000, 0.0007625200000000, 0.0002051400000000 ] - [ -0.0008800800000000, 0.0000000000000000, -0.0016692200000000 ] - [ -0.0003250400000000, 0.0000000000000000, -0.0009457500000000 ] - [ -0.0001206500000000, 0.0000000000000000, -0.0011367100000000 ] - [ -0.0000841500000000, 0.0000000000000000, -0.0010790300000000 ] - [ -0.0027663600000000, 0.0000000000000000, 0.0005276800000000 ] - [ -0.0009845000000000, 0.0000000000000000, -0.0003615300000000 ] - [ -0.0011528300000000, -0.0003815500000000, 0.0002053100000000 ] - [ -0.0007680100000000, -0.0010578400000000, 0.0002169500000000 ] - [ -0.0005285300000000, -0.0005496000000000, -0.0004911900000000 ] - [ -0.0005084900000000, -0.0005657400000000, -0.0004269100000000 ] - [ -0.0007175000000000, 0.0007153300000000, -0.0018869900000000 ] - [ -0.0004557500000000, -0.0009964500000000, -0.0005122400000000 ] - [ -0.0011528300000000, 0.0003815500000000, 0.0002053100000000 ] - [ -0.0007680100000000, 0.0010578400000000, 0.0002169500000000 ] - [ -0.0005285300000000, 0.0005496000000000, -0.0004911900000000 ] - [ -0.0005084900000000, 0.0005657400000000, -0.0004269100000000 ] - [ -0.0007175000000000, -0.0007153300000000, -0.0018869900000000 ] - [ -0.0004557500000000, 0.0009964500000000, -0.0005122400000000 ] - [ -0.0011620500000000, 0.0000000000000000, -0.0003813600000000 ] - [ -0.0001508500000000, 0.0000000000000000, 0.0001400000000000 ] - [ 0.0001004500000000, 0.0000000000000000, -0.0000535400000000 ] - [ 0.0002215000000000, 0.0000000000000000, 0.0000865200000000 ] - [ -0.0040234000000000, 0.0000000000000000, -0.0009590700000000 ] - [ -0.0002769300000000, 0.0000000000000000, 0.0002288700000000 ] - [ -0.0014462400000000, -0.0010101700000000, 0.0016022600000000 ] - [ -0.0014462400000000, 0.0010101700000000, 0.0016022600000000 ] - [ -0.0003660700000000, 0.0000058600000000, 0.0008910200000000 ] - [ -0.0003660700000000, -0.0000058600000000, 0.0008910200000000 ] - [ 0.0002515500000000, -0.0002592000000000, 0.0002058800000000 ] - [ 0.0002515500000000, 0.0002592000000000, 0.0002058800000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013320100000000, -0.0002590500000000, -0.0003889700000000 ] - [ -0.0013272900000000, -0.0002352200000000, 0.0003769800000000 ] - [ 0.0005217000000000, -0.0008415900000000, 0.0018481500000000 ] - [ -0.0005218500000000, -0.0008314800000000, -0.0018338900000000 ] - [ 0.0000030500000000, -0.0000006000000000, 0.0000080500000000 ] - [ -0.0000020600000000, 0.0000005500000000, -0.0000080600000000 ] - [ 0.0000562000000000, 0.0017913600000000, 0.0000090500000000 ] - [ 0.0000033600000000, -0.0014802900000000, -0.0000016300000000 ] - [ 0.0000018700000000, 0.0004080800000000, -0.0000010300000000 ] - [ 0.0000010600000000, -0.0003531100000000, -0.0000006300000000 ] - [ -0.0000008100000000, 0.0005978300000000, 0.0000048000000000 ] - [ 0.0000001000000000, -0.0004856200000000, 0.0000031500000000 ] - [ -0.0015220400000000, -0.0009215500000000, 0.0006997800000000 ] - [ 0.0000441200000000, -0.0009264600000000, -0.0009575100000000 ] - [ -0.0006783800000000, -0.0000002000000000, -0.0002158500000000 ] - [ -0.0007969500000000, 0.0000003300000000, -0.0000282100000000 ] - [ -0.0014555200000000, -0.0016060500000000, -0.0034092800000000 ] - [ -0.0000257000000000, -0.0016165500000000, 0.0031818000000000 ] - [ 0.0002820100000000, 0.0404140700000000, -0.0001455900000000 ] - [ 0.0007297400000000, -0.0023696100000000, 0.0001161300000000 ] - [ 0.0007315500000000, 0.0003758500000000, 0.0001243700000000 ] - [ 0.0007336700000000, -0.0003772700000000, 0.0001223300000000 ] - [ 0.0007332300000000, 0.0005877000000000, 0.0001174800000000 ] - [ 0.0007334300000000, -0.0005462000000000, 0.0001212500000000 ] - [ -0.0007290700000000, 0.0013917000000000, -0.0001155800000000 ] - [ -0.0007338600000000, -0.0006537600000000, -0.0001207600000000 ] - [ -0.0007340600000000, 0.0003541200000000, -0.0001199000000000 ] - [ -0.0007343700000000, -0.0004154800000000, -0.0001203900000000 ] - [ -0.0007273500000000, 0.0002205400000000, -0.0001248400000000 ] - [ -0.0007323300000000, -0.0002146400000000, -0.0001230000000000 ] - [ 0.0006145600000000, -0.0000401900000000, 0.0002222200000000 ] - [ 0.0008684200000000, -0.0000407400000000, 0.0000200400000000 ] - [ 0.0008918600000000, 0.0000006000000000, 0.0002444600000000 ] - [ 0.0005844700000000, 0.0000013400000000, 0.0000043300000000 ] - [ 0.0005167400000000, -0.0000049400000000, -0.0000853100000000 ] - [ 0.0009603600000000, -0.0000073400000000, 0.0003373000000000 ] - [ -0.0007708700000000, -0.0003093800000000, 0.0010435300000000 ] - [ 0.0005045600000000, -0.0003298300000000, 0.0001446700000000 ] - [ 0.0003026600000000, -0.0007786800000000, 0.0001094000000000 ] - [ 0.0003060300000000, -0.0006855000000000, 0.0001563200000000 ] - [ 0.0000141400000000, -0.0009149700000000, -0.0013354300000000 ] - [ 0.0004838900000000, 0.0001434200000000, 0.0009768700000000 ] - [ -0.0003024700000000, -0.0520240400000000, -0.0004093600000000 ] - [ -0.0006720700000000, 0.0006370100000000, -0.0005021500000000 ] - [ -0.0006743900000000, -0.0001345200000000, -0.0005046600000000 ] - [ -0.0006750900000000, 0.0001199000000000, -0.0005047400000000 ] - [ -0.0006734500000000, -0.0001345100000000, -0.0005040800000000 ] - [ -0.0006745900000000, 0.0001198900000000, -0.0005048200000000 ] - [ 0.0013717800000000, 0.0011486000000000, -0.0007630400000000 ] - [ 0.0001043700000000, 0.0011330400000000, 0.0001253400000000 ] - [ 0.0003063900000000, 0.0006846300000000, 0.0001567800000000 ] - [ 0.0003029300000000, 0.0007773200000000, 0.0001100000000000 ] - [ 0.0005955800000000, 0.0005462700000000, 0.0015892400000000 ] - [ 0.0001255400000000, 0.0016122100000000, -0.0007162200000000 ] - [ 0.0002921900000000, 0.0001367800000000, -0.0011761100000000 ] - [ -0.0004282300000000, 0.0001377300000000, -0.0004786600000000 ] - [ -0.0001079800000000, 0.0000031800000000, -0.0007333900000000 ] - [ -0.0000263000000000, 0.0000032200000000, -0.0009261600000000 ] - [ 0.0012121300000000, 0.0022891300000000, 0.0007255800000000 ] - [ -0.0013730900000000, 0.0023374700000000, -0.0024126100000000 ] - [ -0.0216358000000000, 0.0063950100000000, -0.0213035000000000 ] - [ -0.0003180500000000, 0.0004094800000000, -0.0004108900000000 ] - [ -0.0002857700000000, -0.0008708500000000, -0.0001179200000000 ] - [ -0.0003301700000000, -0.0005980100000000, -0.0001391300000000 ] - [ -0.0003604100000000, -0.0009963700000000, 0.0000428600000000 ] - [ -0.0002576300000000, -0.0004751400000000, -0.0003035800000000 ] - [ 0.0212095000000000, 0.0078065700000000, 0.0212488900000000 ] - [ -0.0002876900000000, 0.0018772300000000, 0.0001475700000000 ] - [ -0.0003219200000000, 0.0005906900000000, -0.0001511900000000 ] - [ -0.0002778100000000, 0.0008654500000000, -0.0001282400000000 ] - [ -0.0002476000000000, 0.0004673000000000, -0.0003050300000000 ] - [ -0.0003495000000000, 0.0009901000000000, 0.0000385500000000 ] - [ 0.0009473600000000, 0.0001814800000000, 0.0002452100000000 ] - [ 0.0004114100000000, 0.0001810100000000, 0.0007674400000000 ] - [ 0.0006610600000000, -0.0000016500000000, 0.0005212000000000 ] - [ 0.0006924800000000, -0.0000019400000000, 0.0004888200000000 ] - [ 0.0000414200000000, 0.0019413300000000, 0.0021129700000000 ] - [ 0.0013417000000000, 0.0019824900000000, -0.0011276000000000 ] - [ -0.0000686400000000, -0.0089206200000000, 0.0008457300000000 ] - [ 0.0000692600000000, 0.0005550400000000, 0.0008294100000000 ] - [ 0.0000700300000000, -0.0003892700000000, 0.0008258300000000 ] - [ 0.0000687300000000, 0.0002904200000000, 0.0008279700000000 ] - [ 0.0000679300000000, -0.0001007200000000, 0.0008289500000000 ] - [ 0.0000685100000000, 0.0000955000000000, 0.0008280200000000 ] - [ -0.0001781600000000, -0.0012839900000000, -0.0000769000000000 ] - [ 0.0004064000000000, -0.0004068200000000, 0.0002670100000000 ] - [ 0.0002768300000000, -0.0009298700000000, -0.0000151000000000 ] - [ 0.0003432500000000, -0.0004857000000000, 0.0003372500000000 ] - [ 0.0002839500000000, -0.0008174600000000, 0.0001154500000000 ] - [ 0.0003239800000000, -0.0006460800000000, 0.0001515000000000 ] - [ -0.0007377700000000, 0.0000084100000000, -0.0005272600000000 ] - [ -0.0006205300000000, 0.0000080300000000, -0.0004842700000000 ] - [ -0.0008768200000000, 0.0000009000000000, -0.0005992300000000 ] - [ -0.0004791700000000, 0.0000004200000000, -0.0004136600000000 ] - [ -0.0005918200000000, 0.0000005200000000, -0.0004568200000000 ] - [ -0.0007642100000000, 0.0000007900000000, -0.0005560300000000 ] - [ 0.0007807800000000, 0.0001793000000000, 0.0003381900000000 ] - [ 0.0002009300000000, 0.0010580700000000, -0.0000017500000000 ] - [ 0.0003309900000000, 0.0005342600000000, 0.0002790400000000 ] - [ 0.0002646200000000, 0.0009791000000000, -0.0000732900000000 ] - [ 0.0003218400000000, 0.0006454500000000, 0.0001515800000000 ] - [ 0.0002832200000000, 0.0008176100000000, 0.0001152700000000 ] - [ -0.0000687100000000, -0.0005968700000000, -0.0008304800000000 ] - [ -0.0000677300000000, 0.0002826900000000, -0.0008291700000000 ] - [ -0.0000681900000000, -0.0000757000000000, -0.0008291800000000 ] - [ -0.0000684100000000, 0.0000829300000000, -0.0008288800000000 ] - [ -0.0000734900000000, -0.0001515000000000, -0.0008254600000000 ] - [ -0.0000696100000000, 0.0001486700000000, -0.0008277400000000 ] - [ -0.0003674300000000, -0.0007966500000000, -0.0001014400000000 ] - [ -0.0002748300000000, -0.0006486700000000, -0.0001788000000000 ] - [ -0.0002780900000000, -0.0007900400000000, -0.0000911600000000 ] - [ -0.0003313800000000, -0.0006753400000000, -0.0001765000000000 ] - [ -0.0004250400000000, -0.0008033500000000, -0.0001860300000000 ] - [ -0.0002026800000000, -0.0006659900000000, -0.0000567700000000 ] - [ -0.0002441000000000, 0.0006667500000000, -0.0001641800000000 ] - [ -0.0003358700000000, 0.0008146000000000, -0.0000875900000000 ] - [ -0.0003316500000000, 0.0006717500000000, -0.0001785200000000 ] - [ -0.0002782500000000, 0.0007869600000000, -0.0000924200000000 ] - [ -0.0001861900000000, 0.0006570400000000, -0.0000855600000000 ] - [ -0.0004078600000000, 0.0007971500000000, -0.0002127200000000 ] - [ 0.0006719200000000, -0.0001751800000000, 0.0005025800000000 ] - [ 0.0006739200000000, 0.0000964900000000, 0.0005038300000000 ] - [ 0.0006744200000000, -0.0000727200000000, 0.0005035900000000 ] - [ 0.0006747500000000, 0.0000784900000000, 0.0005038000000000 ] - [ 0.0006693600000000, -0.0000489500000000, 0.0005031700000000 ] - [ 0.0006738500000000, 0.0000573400000000, 0.0005043400000000 ] - [ 0.0001948500000000, -0.0000121700000000, 0.0008046800000000 ] - [ -0.0000650600000000, -0.0000106900000000, 0.0008549100000000 ] - [ 0.0000411000000000, -0.0000002600000000, 0.0008128400000000 ] - [ 0.0000931300000000, -0.0000004600000000, 0.0008434100000000 ] - [ 0.0001138600000000, 0.0000056600000000, 0.0009025900000000 ] - [ 0.0000211800000000, 0.0000060500000000, 0.0007520000000000 ]- atom: 43 displacement: [ -0.0037734251549958, 0.0000000000000000, 0.0092607376919792 ] forces: - [ 0.0009185700000000, -0.0013306500000000, 0.0010533700000000 ] - [ 0.0009185700000000, 0.0013306500000000, 0.0010533700000000 ] - [ -0.0006834400000000, 0.0009444900000000, -0.0012974300000000 ] - [ -0.0006834400000000, -0.0009444900000000, -0.0012974300000000 ] - [ 0.0001702700000000, -0.0000578500000000, -0.0005834200000000 ] - [ 0.0001702700000000, 0.0000578500000000, -0.0005834200000000 ] - [ -0.0028127400000000, 0.0000000000000000, 0.0011767900000000 ] - [ -0.0002235800000000, 0.0000000000000000, 0.0007989100000000 ] - [ 0.0005779300000000, 0.0000000000000000, -0.0004245900000000 ] - [ 0.0002892300000000, 0.0000000000000000, -0.0002054500000000 ] - [ -0.0005289900000000, 0.0000000000000000, -0.0013796100000000 ] - [ -0.0002234100000000, 0.0000000000000000, -0.0006377000000000 ] - [ -0.0001382800000000, 0.0018155300000000, -0.0008917100000000 ] - [ -0.0001382800000000, -0.0018155300000000, -0.0008917100000000 ] - [ -0.0005429500000000, -0.0000262200000000, -0.0007978000000000 ] - [ -0.0005429500000000, 0.0000262200000000, -0.0007978000000000 ] - [ -0.0022589900000000, -0.0028186600000000, -0.0000377400000000 ] - [ -0.0022589900000000, 0.0028186600000000, -0.0000377400000000 ] - [ -0.0008833000000000, 0.0000000000000000, 0.0453710600000000 ] - [ 0.0006887700000000, 0.0000000000000000, 0.0016296000000000 ] - [ 0.0011144000000000, 0.0000000000000000, -0.0011505900000000 ] - [ 0.0008459500000000, 0.0000000000000000, -0.0003650300000000 ] - [ 0.0014360000000000, 0.0000000000000000, -0.0010042800000000 ] - [ 0.0009729300000000, 0.0000000000000000, -0.0003137200000000 ] - [ -0.0015052500000000, 0.0000000000000000, 0.0005676100000000 ] - [ -0.0009700200000000, 0.0000000000000000, 0.0001932100000000 ] - [ -0.0009801200000000, 0.0000000000000000, -0.0007953900000000 ] - [ -0.0009008700000000, 0.0000000000000000, -0.0006590000000000 ] - [ 0.0000251300000000, 0.0000000000000000, -0.0003112100000000 ] - [ -0.0004888500000000, 0.0000000000000000, -0.0000897600000000 ] - [ 0.0011157900000000, 0.0001311000000000, 0.0006516600000000 ] - [ 0.0011157900000000, -0.0001311000000000, 0.0006516600000000 ] - [ 0.0005489400000000, -0.0000152100000000, -0.0003307500000000 ] - [ 0.0005489400000000, 0.0000152100000000, -0.0003307500000000 ] - [ 0.0003490600000000, -0.0000846200000000, -0.0000471300000000 ] - [ 0.0003490600000000, 0.0000846200000000, -0.0000471300000000 ] - [ -0.0011123700000000, 0.0007852500000000, 0.0011689800000000 ] - [ 0.0001629700000000, -0.0013239800000000, -0.0001702300000000 ] - [ 0.0002625300000000, -0.0006216900000000, 0.0004209400000000 ] - [ 0.0002731000000000, -0.0006218500000000, 0.0003832500000000 ] - [ 0.0008914300000000, -0.0022495100000000, 0.0015662300000000 ] - [ 0.0005815500000000, -0.0000736200000000, 0.0003753500000000 ] - [ -0.0010816400000000, 0.0000000000000000, -0.0559658100000000 ] - [ -0.0008351500000000, 0.0000000000000000, -0.0009493300000000 ] - [ -0.0007890300000000, 0.0000000000000000, -0.0001793200000000 ] - [ -0.0007117000000000, 0.0000000000000000, -0.0003807700000000 ] - [ -0.0007863000000000, 0.0000000000000000, -0.0001803500000000 ] - [ -0.0007064700000000, 0.0000000000000000, -0.0003788600000000 ] - [ -0.0011123700000000, -0.0007852500000000, 0.0011689800000000 ] - [ 0.0001629700000000, 0.0013239800000000, -0.0001702300000000 ] - [ 0.0002625300000000, 0.0006216900000000, 0.0004209400000000 ] - [ 0.0002731000000000, 0.0006218500000000, 0.0003832500000000 ] - [ 0.0008914300000000, 0.0022495100000000, 0.0015662300000000 ] - [ 0.0005815500000000, 0.0000736200000000, 0.0003753500000000 ] - [ -0.0004956100000000, -0.0002803600000000, -0.0003965000000000 ] - [ -0.0004956100000000, 0.0002803600000000, -0.0003965000000000 ] - [ -0.0002428200000000, 0.0000583100000000, -0.0005080100000000 ] - [ -0.0002428200000000, -0.0000583100000000, -0.0005080100000000 ] - [ 0.0008811600000000, 0.0006215700000000, -0.0015094000000000 ] - [ 0.0008811600000000, -0.0006215700000000, -0.0015094000000000 ] - [ 0.0180815100000000, -0.0118415900000000, 0.0058521300000000 ] - [ -0.0003018500000000, -0.0002974800000000, -0.0006489200000000 ] - [ -0.0003401100000000, -0.0009628500000000, 0.0003118100000000 ] - [ -0.0003235700000000, -0.0007926700000000, 0.0001002400000000 ] - [ -0.0005786500000000, -0.0007068500000000, 0.0002425600000000 ] - [ -0.0003873300000000, -0.0008461000000000, 0.0000122400000000 ] - [ 0.0180815100000000, 0.0118415900000000, 0.0058521300000000 ] - [ -0.0003018500000000, 0.0002974800000000, -0.0006489200000000 ] - [ -0.0003401100000000, 0.0009628500000000, 0.0003118100000000 ] - [ -0.0003235700000000, 0.0007926700000000, 0.0001002400000000 ] - [ -0.0005786500000000, 0.0007068500000000, 0.0002425600000000 ] - [ -0.0003873300000000, 0.0008461000000000, 0.0000122400000000 ] - [ 0.0005279300000000, -0.0003435900000000, 0.0007230700000000 ] - [ 0.0005279300000000, 0.0003435900000000, 0.0007230700000000 ] - [ 0.0006483400000000, 0.0000209100000000, 0.0006874600000000 ] - [ 0.0006483400000000, -0.0000209100000000, 0.0006874600000000 ] - [ 0.0004322400000000, 0.0017357200000000, 0.0008235700000000 ] - [ 0.0004322400000000, -0.0017357200000000, 0.0008235700000000 ] - [ -0.0292912400000000, 0.0000000000000000, -0.0045463300000000 ] - [ 0.0003277400000000, 0.0000000000000000, 0.0003067300000000 ] - [ -0.0001897100000000, 0.0000000000000000, 0.0015271000000000 ] - [ -0.0000467100000000, 0.0000000000000000, 0.0010086400000000 ] - [ -0.0003184500000000, 0.0000000000000000, 0.0012496800000000 ] - [ -0.0001151100000000, 0.0000000000000000, 0.0010424700000000 ] - [ 0.0006048700000000, -0.0007342900000000, -0.0003803400000000 ] - [ 0.0003631500000000, -0.0007968400000000, -0.0001014200000000 ] - [ 0.0003884900000000, -0.0005922500000000, 0.0004434900000000 ] - [ 0.0003692000000000, -0.0005700200000000, 0.0004191400000000 ] - [ 0.0001658900000000, -0.0006743200000000, 0.0002284500000000 ] - [ 0.0002449200000000, -0.0007419700000000, 0.0001610700000000 ] - [ -0.0009950100000000, -0.0000022300000000, -0.0007271700000000 ] - [ -0.0009950100000000, 0.0000022300000000, -0.0007271700000000 ] - [ -0.0004018700000000, -0.0000132100000000, -0.0003419600000000 ] - [ -0.0004018700000000, 0.0000132100000000, -0.0003419600000000 ] - [ -0.0005215800000000, 0.0000106300000000, -0.0003906400000000 ] - [ -0.0005215800000000, -0.0000106300000000, -0.0003906400000000 ] - [ 0.0006048700000000, 0.0007342900000000, -0.0003803400000000 ] - [ 0.0003631500000000, 0.0007968400000000, -0.0001014200000000 ] - [ 0.0003884900000000, 0.0005922500000000, 0.0004434900000000 ] - [ 0.0003692000000000, 0.0005700200000000, 0.0004191400000000 ] - [ 0.0001658900000000, 0.0006743200000000, 0.0002284500000000 ] - [ 0.0002449200000000, 0.0007419700000000, 0.0001610700000000 ] - [ 0.0004988700000000, 0.0000000000000000, -0.0009073700000000 ] - [ 0.0001504900000000, 0.0000000000000000, -0.0009698800000000 ] - [ -0.0001282800000000, 0.0000000000000000, -0.0006181600000000 ] - [ -0.0001306400000000, 0.0000000000000000, -0.0006525300000000 ] - [ -0.0007067200000000, 0.0000000000000000, -0.0005854900000000 ] - [ -0.0002262300000000, 0.0000000000000000, -0.0008180900000000 ] - [ -0.0004781200000000, -0.0005861900000000, -0.0003465000000000 ] - [ -0.0003951800000000, -0.0006972000000000, -0.0002836600000000 ] - [ -0.0002498000000000, -0.0008623600000000, 0.0001217100000000 ] - [ -0.0002570500000000, -0.0008242500000000, 0.0000675900000000 ] - [ -0.0001174700000000, -0.0007277900000000, -0.0001789100000000 ] - [ -0.0002041100000000, -0.0007021200000000, -0.0001345900000000 ] - [ -0.0004781200000000, 0.0005861900000000, -0.0003465000000000 ] - [ -0.0003951800000000, 0.0006972000000000, -0.0002836600000000 ] - [ -0.0002498000000000, 0.0008623600000000, 0.0001217100000000 ] - [ -0.0002570500000000, 0.0008242500000000, 0.0000675900000000 ] - [ -0.0001174700000000, 0.0007277900000000, -0.0001789100000000 ] - [ -0.0002041100000000, 0.0007021200000000, -0.0001345900000000 ] - [ 0.0007997100000000, 0.0000000000000000, 0.0004835500000000 ] - [ 0.0006998900000000, 0.0000000000000000, 0.0004735100000000 ] - [ 0.0009728800000000, 0.0000000000000000, 0.0007363300000000 ] - [ 0.0008897200000000, 0.0000000000000000, 0.0006912100000000 ] - [ 0.0002533300000000, 0.0000000000000000, 0.0003708600000000 ] - [ 0.0005701900000000, 0.0000000000000000, 0.0004279100000000 ] - [ 0.0000341200000000, -0.0000589100000000, 0.0006430700000000 ] - [ 0.0000341200000000, 0.0000589100000000, 0.0006430700000000 ] - [ 0.0000078800000000, -0.0000148700000000, 0.0009526900000000 ] - [ 0.0000078800000000, 0.0000148700000000, 0.0009526900000000 ] - [ 0.0002359200000000, 0.0000555400000000, 0.0009008800000000 ] - [ 0.0002359200000000, -0.0000555400000000, 0.0009008800000000 ]- atom: 43 displacement: [ 0.0037734251549958, 0.0000000000000000, -0.0092607376919792 ] forces: - [ -0.0009126500000000, 0.0013177100000000, -0.0010640100000000 ] - [ -0.0009126500000000, -0.0013177100000000, -0.0010640100000000 ] - [ 0.0006830100000000, -0.0009572900000000, 0.0013172100000000 ] - [ 0.0006830100000000, 0.0009572900000000, 0.0013172100000000 ] - [ -0.0001705400000000, 0.0000578000000000, 0.0005855900000000 ] - [ -0.0001705400000000, -0.0000578000000000, 0.0005855900000000 ] - [ 0.0029069000000000, 0.0000000000000000, -0.0011807400000000 ] - [ 0.0002247900000000, 0.0000000000000000, -0.0007995900000000 ] - [ -0.0005725200000000, 0.0000000000000000, 0.0004227600000000 ] - [ -0.0002870600000000, 0.0000000000000000, 0.0002054500000000 ] - [ 0.0005294800000000, 0.0000000000000000, 0.0013928000000000 ] - [ 0.0002236600000000, 0.0000000000000000, 0.0006431800000000 ] - [ -0.0013447900000000, -0.0018004700000000, 0.0006325100000000 ] - [ -0.0013447900000000, 0.0018004700000000, 0.0006325100000000 ] - [ -0.0009325900000000, 0.0000265400000000, 0.0005550400000000 ] - [ -0.0009325900000000, -0.0000265400000000, 0.0005550400000000 ] - [ 0.0007784600000000, 0.0028429600000000, -0.0002111100000000 ] - [ 0.0007784600000000, -0.0028429600000000, -0.0002111100000000 ] - [ 0.0016533600000000, 0.0000000000000000, -0.0457165700000000 ] - [ 0.0007746000000000, 0.0000000000000000, -0.0013962300000000 ] - [ 0.0003459800000000, 0.0000000000000000, 0.0013987400000000 ] - [ 0.0006196100000000, 0.0000000000000000, 0.0006118000000000 ] - [ 0.0000278800000000, 0.0000000000000000, 0.0012451700000000 ] - [ 0.0004949500000000, 0.0000000000000000, 0.0005572000000000 ] - [ 0.0000516000000000, 0.0000000000000000, -0.0008041600000000 ] - [ -0.0004963400000000, 0.0000000000000000, -0.0004346500000000 ] - [ -0.0004886500000000, 0.0000000000000000, 0.0005582500000000 ] - [ -0.0005686000000000, 0.0000000000000000, 0.0004205100000000 ] - [ -0.0014841300000000, 0.0000000000000000, 0.0000655900000000 ] - [ -0.0009778200000000, 0.0000000000000000, -0.0001551400000000 ] - [ 0.0003659000000000, -0.0001292300000000, -0.0004074900000000 ] - [ 0.0003659000000000, 0.0001292300000000, -0.0004074900000000 ] - [ 0.0009289000000000, 0.0000149400000000, 0.0005808500000000 ] - [ 0.0009289000000000, -0.0000149400000000, 0.0005808500000000 ] - [ 0.0011277600000000, 0.0000888800000000, 0.0002988000000000 ] - [ 0.0011277600000000, -0.0000888800000000, 0.0002988000000000 ] - [ 0.0016973100000000, -0.0022201900000000, -0.0008772300000000 ] - [ 0.0004467100000000, -0.0001410700000000, 0.0004401400000000 ] - [ 0.0003464800000000, -0.0008404900000000, -0.0001530400000000 ] - [ 0.0003357300000000, -0.0008403400000000, -0.0001153900000000 ] - [ -0.0002902600000000, 0.0008125500000000, -0.0013280400000000 ] - [ 0.0000277500000000, -0.0013941000000000, -0.0001085700000000 ] - [ 0.0000572200000000, 0.0000000000000000, 0.0556234200000000 ] - [ -0.0005104100000000, 0.0000000000000000, -0.0000552900000000 ] - [ -0.0005596000000000, 0.0000000000000000, -0.0008264600000000 ] - [ -0.0006381500000000, 0.0000000000000000, -0.0006277600000000 ] - [ -0.0005606600000000, 0.0000000000000000, -0.0008285700000000 ] - [ -0.0006436500000000, 0.0000000000000000, -0.0006298000000000 ] - [ 0.0016973100000000, 0.0022201900000000, -0.0008772300000000 ] - [ 0.0004467100000000, 0.0001410700000000, 0.0004401400000000 ] - [ 0.0003464800000000, 0.0008404900000000, -0.0001530400000000 ] - [ 0.0003357300000000, 0.0008403400000000, -0.0001153900000000 ] - [ -0.0002902600000000, -0.0008125500000000, -0.0013280400000000 ] - [ 0.0000277500000000, 0.0013941000000000, -0.0001085700000000 ] - [ 0.0003610800000000, 0.0002777200000000, -0.0012575300000000 ] - [ 0.0003610800000000, -0.0002777200000000, -0.0012575300000000 ] - [ 0.0001102400000000, -0.0000588400000000, -0.0011523900000000 ] - [ 0.0001102400000000, 0.0000588400000000, -0.0011523900000000 ] - [ -0.0010128000000000, -0.0006257600000000, -0.0001458200000000 ] - [ -0.0010128000000000, 0.0006257600000000, -0.0001458200000000 ] - [ -0.0186153400000000, 0.0103646900000000, -0.0062628100000000 ] - [ -0.0003049700000000, -0.0011690700000000, 0.0003857200000000 ] - [ -0.0002674400000000, -0.0004979000000000, -0.0005804200000000 ] - [ -0.0002844100000000, -0.0006695200000000, -0.0003675800000000 ] - [ -0.0000289000000000, -0.0007564000000000, -0.0005058300000000 ] - [ -0.0002207600000000, -0.0006176000000000, -0.0002769300000000 ] - [ -0.0186153400000000, -0.0103646900000000, -0.0062628100000000 ] - [ -0.0003049700000000, 0.0011690700000000, 0.0003857200000000 ] - [ -0.0002674400000000, 0.0004979000000000, -0.0005804200000000 ] - [ -0.0002844100000000, 0.0006695200000000, -0.0003675800000000 ] - [ -0.0000289000000000, 0.0007564000000000, -0.0005058300000000 ] - [ -0.0002207600000000, 0.0006176000000000, -0.0002769300000000 ] - [ 0.0008333700000000, 0.0003425000000000, 0.0002917700000000 ] - [ 0.0008333700000000, -0.0003425000000000, 0.0002917700000000 ] - [ 0.0007052700000000, -0.0000209000000000, 0.0003237900000000 ] - [ 0.0007052700000000, 0.0000209000000000, 0.0003237900000000 ] - [ 0.0009353200000000, -0.0017557900000000, 0.0001906200000000 ] - [ 0.0009353200000000, 0.0017557900000000, 0.0001906200000000 ] - [ 0.0296460300000000, 0.0000000000000000, 0.0063363200000000 ] - [ -0.0001939700000000, 0.0000000000000000, 0.0013562400000000 ] - [ 0.0003298400000000, 0.0000000000000000, 0.0001275100000000 ] - [ 0.0001829800000000, 0.0000000000000000, 0.0006496900000000 ] - [ 0.0004530500000000, 0.0000000000000000, 0.0004100800000000 ] - [ 0.0002497000000000, 0.0000000000000000, 0.0006167300000000 ] - [ -0.0000025500000000, -0.0007277400000000, 0.0006474400000000 ] - [ 0.0002436400000000, -0.0006665900000000, 0.0003691700000000 ] - [ 0.0002193300000000, -0.0008712500000000, -0.0001785500000000 ] - [ 0.0002385400000000, -0.0008942400000000, -0.0001543900000000 ] - [ 0.0004410100000000, -0.0007882800000000, 0.0000390900000000 ] - [ 0.0003625500000000, -0.0007203900000000, 0.0001074800000000 ] - [ -0.0003628000000000, 0.0000022800000000, -0.0002832300000000 ] - [ -0.0003628000000000, -0.0000022800000000, -0.0002832300000000 ] - [ -0.0009554900000000, 0.0000136600000000, -0.0006703100000000 ] - [ -0.0009554900000000, -0.0000136600000000, -0.0006703100000000 ] - [ -0.0008343900000000, -0.0000111800000000, -0.0006211000000000 ] - [ -0.0008343900000000, 0.0000111800000000, -0.0006211000000000 ] - [ -0.0000025500000000, 0.0007277400000000, 0.0006474400000000 ] - [ 0.0002436400000000, 0.0006665900000000, 0.0003691700000000 ] - [ 0.0002193300000000, 0.0008712500000000, -0.0001785500000000 ] - [ 0.0002385400000000, 0.0008942400000000, -0.0001543900000000 ] - [ 0.0004410100000000, 0.0007882800000000, 0.0000390900000000 ] - [ 0.0003625500000000, 0.0007203900000000, 0.0001074800000000 ] - [ -0.0006389000000000, 0.0000000000000000, -0.0007549300000000 ] - [ -0.0002851000000000, 0.0000000000000000, -0.0006888800000000 ] - [ -0.0000054600000000, 0.0000000000000000, -0.0010418100000000 ] - [ -0.0000038600000000, 0.0000000000000000, -0.0010064800000000 ] - [ 0.0005659700000000, 0.0000000000000000, -0.0010688600000000 ] - [ 0.0000897900000000, 0.0000000000000000, -0.0008387100000000 ] - [ -0.0001339900000000, -0.0008756100000000, 0.0000809300000000 ] - [ -0.0002156300000000, -0.0007654300000000, 0.0000177000000000 ] - [ -0.0003606900000000, -0.0005981100000000, -0.0003911600000000 ] - [ -0.0003532000000000, -0.0006371800000000, -0.0003359000000000 ] - [ -0.0004942200000000, -0.0007308600000000, -0.0000921300000000 ] - [ -0.0004061000000000, -0.0007607600000000, -0.0001331700000000 ] - [ -0.0001339900000000, 0.0008756100000000, 0.0000809300000000 ] - [ -0.0002156300000000, 0.0007654300000000, 0.0000177000000000 ] - [ -0.0003606900000000, 0.0005981100000000, -0.0003911600000000 ] - [ -0.0003532000000000, 0.0006371800000000, -0.0003359000000000 ] - [ -0.0004942200000000, 0.0007308600000000, -0.0000921300000000 ] - [ -0.0004061000000000, 0.0007607600000000, -0.0001331700000000 ] - [ 0.0005433100000000, 0.0000000000000000, 0.0005235500000000 ] - [ 0.0006474000000000, 0.0000000000000000, 0.0005355600000000 ] - [ 0.0003753900000000, 0.0000000000000000, 0.0002718000000000 ] - [ 0.0004595600000000, 0.0000000000000000, 0.0003175400000000 ] - [ 0.0010869400000000, 0.0000000000000000, 0.0006367800000000 ] - [ 0.0007789200000000, 0.0000000000000000, 0.0005825300000000 ] - [ 0.0000944700000000, 0.0000564700000000, 0.0010188600000000 ] - [ 0.0000944700000000, -0.0000564700000000, 0.0010188600000000 ] - [ 0.0001234500000000, 0.0000149100000000, 0.0007069500000000 ] - [ 0.0001234500000000, -0.0000149100000000, 0.0007069500000000 ] - [ -0.0001037600000000, -0.0000565200000000, 0.0007571800000000 ] - [ -0.0001037600000000, 0.0000565200000000, 0.0007571800000000 ]- atom: 55 displacement: [ 0.0099999527214042, 0.0000000000000000, -0.0000307501167644 ] forces: - [ -0.0011553100000000, 0.0000000000000000, 0.0000896100000000 ] - [ -0.0006664600000000, 0.0000000000000000, 0.0000075700000000 ] - [ -0.0061450100000000, 0.0000000000000000, -0.0021508200000000 ] - [ -0.0010532100000000, 0.0000000000000000, -0.0003811000000000 ] - [ 0.0003492000000000, 0.0000000000000000, -0.0006294000000000 ] - [ 0.0002266900000000, 0.0000000000000000, -0.0002970000000000 ] - [ 0.0017276100000000, -0.0012579200000000, 0.0018353400000000 ] - [ 0.0017276100000000, 0.0012579200000000, 0.0018353400000000 ] - [ 0.0019141800000000, 0.0032596900000000, -0.0005122200000000 ] - [ 0.0019141800000000, -0.0032596900000000, -0.0005122200000000 ] - [ -0.0004189800000000, 0.0002514500000000, 0.0012976100000000 ] - [ -0.0004189800000000, -0.0002514500000000, 0.0012976100000000 ] - [ 0.0990358700000000, 0.0000000000000000, -0.0541095800000000 ] - [ 0.0011105600000000, 0.0000000000000000, -0.0017534700000000 ] - [ 0.0002795700000000, 0.0000000000000000, 0.0034540400000000 ] - [ -0.0001484400000000, 0.0000000000000000, 0.0011223800000000 ] - [ -0.0013757800000000, 0.0000000000000000, 0.0015022400000000 ] - [ -0.0008527200000000, 0.0000000000000000, 0.0005886000000000 ] - [ -0.0004184200000000, -0.0014425000000000, 0.0011327000000000 ] - [ -0.0004184200000000, 0.0014425000000000, 0.0011327000000000 ] - [ 0.0017031400000000, -0.0015421500000000, -0.0013938100000000 ] - [ 0.0017031400000000, 0.0015421500000000, -0.0013938100000000 ] - [ 0.0011584600000000, 0.0000315500000000, 0.0005423100000000 ] - [ 0.0011584600000000, -0.0000315500000000, 0.0005423100000000 ] - [ -0.0030251000000000, 0.0000123600000000, -0.0006868100000000 ] - [ -0.0030251000000000, -0.0000123600000000, -0.0006868100000000 ] - [ -0.0013433800000000, -0.0002986400000000, -0.0005732600000000 ] - [ -0.0013433800000000, 0.0002986400000000, -0.0005732600000000 ] - [ -0.0007563400000000, 0.0000563900000000, -0.0003272100000000 ] - [ -0.0007563400000000, -0.0000563900000000, -0.0003272100000000 ] - [ 0.0011582300000000, 0.0000000000000000, -0.0049677800000000 ] - [ 0.0010957900000000, 0.0000000000000000, -0.0013548400000000 ] - [ -0.0039523400000000, 0.0000000000000000, 0.0029440500000000 ] - [ -0.0010167100000000, 0.0000000000000000, 0.0007726100000000 ] - [ 0.0004787000000000, 0.0000000000000000, 0.0007050400000000 ] - [ 0.0005254800000000, 0.0000000000000000, 0.0006177900000000 ] - [ -0.0001231900000000, -0.0001804500000000, 0.0006562300000000 ] - [ 0.0006429400000000, -0.0143201700000000, -0.0204804400000000 ] - [ 0.0000284700000000, -0.0012131300000000, -0.0005802000000000 ] - [ 0.0002228800000000, -0.0007085200000000, -0.0020262300000000 ] - [ 0.0003192300000000, -0.0008432100000000, -0.0002181100000000 ] - [ 0.0003690300000000, -0.0010345700000000, -0.0004811400000000 ] - [ -0.0003348800000000, 0.0003614800000000, -0.0008286900000000 ] - [ -0.0003348800000000, -0.0003614800000000, -0.0008286900000000 ] - [ -0.0018175400000000, 0.0012844500000000, 0.0000586900000000 ] - [ -0.0018175400000000, -0.0012844500000000, 0.0000586900000000 ] - [ -0.0009341600000000, -0.0000411300000000, -0.0008020900000000 ] - [ -0.0009341600000000, 0.0000411300000000, -0.0008020900000000 ] - [ 0.0006429400000000, 0.0143201700000000, -0.0204804400000000 ] - [ -0.0001231900000000, 0.0001804500000000, 0.0006562300000000 ] - [ 0.0002228800000000, 0.0007085200000000, -0.0020262300000000 ] - [ 0.0000284700000000, 0.0012131300000000, -0.0005802000000000 ] - [ 0.0003690300000000, 0.0010345700000000, -0.0004811400000000 ] - [ 0.0003192300000000, 0.0008432100000000, -0.0002181100000000 ] - [ -0.1634710100000000, 0.0000000000000000, 0.1027587500000000 ] - [ -0.0015694500000000, 0.0000000000000000, 0.0001379700000000 ] - [ 0.0003644600000000, 0.0000000000000000, -0.0017571200000000 ] - [ 0.0000589900000000, 0.0000000000000000, -0.0012250600000000 ] - [ 0.0003623000000000, 0.0000000000000000, -0.0018201800000000 ] - [ 0.0000599100000000, 0.0000000000000000, -0.0010868300000000 ] - [ 0.0003667100000000, 0.0001212600000000, -0.0009038600000000 ] - [ -0.0000213400000000, -0.0011848800000000, -0.0000717900000000 ] - [ -0.0004848400000000, -0.0003742300000000, 0.0005702700000000 ] - [ -0.0004038500000000, -0.0012246200000000, 0.0003482200000000 ] - [ -0.0003452100000000, -0.0006625000000000, -0.0003049900000000 ] - [ -0.0003518400000000, -0.0006589500000000, -0.0002829500000000 ] - [ -0.0000213400000000, 0.0011848800000000, -0.0000717900000000 ] - [ 0.0003667100000000, -0.0001212600000000, -0.0009038600000000 ] - [ -0.0004038500000000, 0.0012246200000000, 0.0003482200000000 ] - [ -0.0004848400000000, 0.0003742300000000, 0.0005702700000000 ] - [ -0.0003518400000000, 0.0006589500000000, -0.0002829500000000 ] - [ -0.0003452100000000, 0.0006625000000000, -0.0003049900000000 ] - [ 0.0560396800000000, 0.0000000000000000, -0.0092046900000000 ] - [ 0.0002005600000000, 0.0000000000000000, 0.0005946100000000 ] - [ -0.0005152200000000, 0.0000000000000000, -0.0002636200000000 ] - [ 0.0000562800000000, 0.0000000000000000, 0.0001284200000000 ] - [ 0.0008740600000000, 0.0000000000000000, 0.0001645500000000 ] - [ 0.0007043600000000, 0.0000000000000000, 0.0003156500000000 ] - [ 0.0006976800000000, 0.0002024400000000, 0.0003260800000000 ] - [ 0.0006976800000000, -0.0002024400000000, 0.0003260800000000 ] - [ -0.0000749600000000, 0.0008147100000000, 0.0015225100000000 ] - [ -0.0000749600000000, -0.0008147100000000, 0.0015225100000000 ] - [ -0.0000990400000000, -0.0000067100000000, 0.0008306600000000 ] - [ -0.0000990400000000, 0.0000067100000000, 0.0008306600000000 ] - [ 0.0008931000000000, -0.0005333400000000, 0.0003525100000000 ] - [ 0.0007358400000000, -0.0005712700000000, 0.0003570400000000 ] - [ 0.0005871400000000, -0.0003865200000000, 0.0005657200000000 ] - [ 0.0004816600000000, -0.0007458300000000, 0.0002717100000000 ] - [ 0.0003108100000000, -0.0007057000000000, 0.0002231800000000 ] - [ 0.0003075100000000, -0.0006891900000000, 0.0002001800000000 ] - [ 0.0001357900000000, 0.0000000000000000, 0.0004406400000000 ] - [ -0.0004155300000000, 0.0000000000000000, -0.0001613500000000 ] - [ 0.0020248100000000, 0.0000000000000000, -0.0000889600000000 ] - [ 0.0002472800000000, 0.0000000000000000, -0.0002991700000000 ] - [ -0.0006168800000000, 0.0000000000000000, -0.0005461800000000 ] - [ -0.0006539100000000, 0.0000000000000000, -0.0005635000000000 ] - [ 0.0007358400000000, 0.0005712700000000, 0.0003570400000000 ] - [ 0.0008931000000000, 0.0005333400000000, 0.0003525100000000 ] - [ 0.0004816600000000, 0.0007458300000000, 0.0002717100000000 ] - [ 0.0005871400000000, 0.0003865200000000, 0.0005657200000000 ] - [ 0.0003075100000000, 0.0006891900000000, 0.0002001800000000 ] - [ 0.0003108100000000, 0.0007057000000000, 0.0002231800000000 ] - [ 0.0008450600000000, 0.0001856200000000, -0.0010486600000000 ] - [ 0.0008450600000000, -0.0001856200000000, -0.0010486600000000 ] - [ 0.0000021200000000, 0.0000582500000000, -0.0007187000000000 ] - [ 0.0000021200000000, -0.0000582500000000, -0.0007187000000000 ] - [ 0.0000028200000000, -0.0000251600000000, -0.0007546900000000 ] - [ 0.0000028200000000, 0.0000251600000000, -0.0007546900000000 ] - [ -0.0004137300000000, -0.0012192200000000, 0.0007193700000000 ] - [ 0.0005925800000000, -0.0002259300000000, 0.0033434600000000 ] - [ 0.0000181100000000, -0.0007212900000000, -0.0004738300000000 ] - [ 0.0003694600000000, -0.0002177600000000, -0.0010488400000000 ] - [ -0.0003297300000000, -0.0005483900000000, -0.0004438200000000 ] - [ -0.0003418200000000, -0.0005883400000000, -0.0004222400000000 ] - [ 0.0005925800000000, 0.0002259300000000, 0.0033434600000000 ] - [ -0.0004137300000000, 0.0012192200000000, 0.0007193700000000 ] - [ 0.0003694600000000, 0.0002177600000000, -0.0010488400000000 ] - [ 0.0000181100000000, 0.0007212900000000, -0.0004738300000000 ] - [ -0.0003418200000000, 0.0005883400000000, -0.0004222400000000 ] - [ -0.0003297300000000, 0.0005483900000000, -0.0004438200000000 ] - [ 0.0021810500000000, -0.0001287700000000, 0.0010853600000000 ] - [ 0.0021810500000000, 0.0001287700000000, 0.0010853600000000 ] - [ 0.0011008300000000, 0.0000263500000000, 0.0006136900000000 ] - [ 0.0011008300000000, -0.0000263500000000, 0.0006136900000000 ] - [ 0.0004837900000000, -0.0000456800000000, 0.0006098800000000 ] - [ 0.0004837900000000, 0.0000456800000000, 0.0006098800000000 ] - [ -0.0015541200000000, 0.0000000000000000, 0.0019318200000000 ] - [ -0.0005334000000000, 0.0000000000000000, 0.0013662400000000 ] - [ 0.0062885300000000, 0.0000000000000000, -0.0023642300000000 ] - [ 0.0012679600000000, 0.0000000000000000, 0.0002276200000000 ] - [ 0.0003748500000000, 0.0000000000000000, 0.0004630400000000 ] - [ 0.0003278800000000, 0.0000000000000000, 0.0005353900000000 ]- atom: 55 displacement: [ -0.0099999527214042, 0.0000000000000000, 0.0000307501167644 ] forces: - [ 0.0011565800000000, 0.0000000000000000, -0.0000844100000000 ] - [ 0.0006665900000000, 0.0000000000000000, -0.0000048000000000 ] - [ 0.0061262500000000, 0.0000000000000000, 0.0021388800000000 ] - [ 0.0010576300000000, 0.0000000000000000, 0.0003812400000000 ] - [ -0.0003452100000000, 0.0000000000000000, 0.0006321500000000 ] - [ -0.0002252300000000, 0.0000000000000000, 0.0002979500000000 ] - [ -0.0017363700000000, 0.0012682500000000, -0.0018529400000000 ] - [ -0.0017363700000000, -0.0012682500000000, -0.0018529400000000 ] - [ -0.0019766000000000, -0.0032142400000000, 0.0005221700000000 ] - [ -0.0019766000000000, 0.0032142400000000, 0.0005221700000000 ] - [ 0.0004162900000000, -0.0002527500000000, -0.0013042600000000 ] - [ 0.0004162900000000, 0.0002527500000000, -0.0013042600000000 ] - [ -0.0956620700000000, 0.0000000000000000, 0.0484897000000000 ] - [ -0.0025888500000000, 0.0000000000000000, 0.0015188600000000 ] - [ -0.0017693200000000, 0.0000000000000000, -0.0037001700000000 ] - [ -0.0013296500000000, 0.0000000000000000, -0.0013696800000000 ] - [ -0.0000911800000000, 0.0000000000000000, -0.0017528800000000 ] - [ -0.0006199000000000, 0.0000000000000000, -0.0008347100000000 ] - [ 0.0019022600000000, 0.0014375800000000, -0.0008808600000000 ] - [ 0.0019022600000000, -0.0014375800000000, -0.0008808600000000 ] - [ -0.0001971200000000, 0.0015463400000000, 0.0016423200000000 ] - [ -0.0001971200000000, -0.0015463400000000, 0.0016423200000000 ] - [ 0.0003148400000000, -0.0000311200000000, -0.0002973100000000 ] - [ 0.0003148400000000, 0.0000311200000000, -0.0002973100000000 ] - [ 0.0015531100000000, -0.0000163300000000, 0.0004472600000000 ] - [ 0.0015531100000000, 0.0000163300000000, 0.0004472600000000 ] - [ -0.0001288100000000, 0.0002957000000000, 0.0003243300000000 ] - [ -0.0001288100000000, -0.0002957000000000, 0.0003243300000000 ] - [ -0.0007199000000000, -0.0000565600000000, 0.0000838600000000 ] - [ -0.0007199000000000, 0.0000565600000000, 0.0000838600000000 ] - [ 0.0003044300000000, 0.0000000000000000, 0.0052362400000000 ] - [ 0.0003748600000000, 0.0000000000000000, 0.0016035900000000 ] - [ 0.0054523900000000, 0.0000000000000000, -0.0027388500000000 ] - [ 0.0024938400000000, 0.0000000000000000, -0.0005331200000000 ] - [ 0.0009955700000000, 0.0000000000000000, -0.0004655500000000 ] - [ 0.0009484700000000, 0.0000000000000000, -0.0003769100000000 ] - [ 0.0007317700000000, -0.0012842400000000, -0.0003906400000000 ] - [ -0.0002279500000000, 0.0128876000000000, 0.0207702100000000 ] - [ 0.0005821900000000, -0.0002467800000000, 0.0008500800000000 ] - [ 0.0003956300000000, -0.0007536500000000, 0.0023015200000000 ] - [ 0.0002904500000000, -0.0006172200000000, 0.0004848200000000 ] - [ 0.0002402000000000, -0.0004243900000000, 0.0007495400000000 ] - [ -0.0010184400000000, -0.0003624000000000, -0.0001794200000000 ] - [ -0.0010184400000000, 0.0003624000000000, -0.0001794200000000 ] - [ 0.0004534500000000, -0.0012906500000000, -0.0010706000000000 ] - [ 0.0004534500000000, 0.0012906500000000, -0.0010706000000000 ] - [ -0.0004106800000000, 0.0000411000000000, -0.0002049900000000 ] - [ -0.0004106800000000, -0.0000411000000000, -0.0002049900000000 ] - [ -0.0002279500000000, -0.0128876000000000, 0.0207702100000000 ] - [ 0.0007317700000000, 0.0012842400000000, -0.0003906400000000 ] - [ 0.0003956300000000, 0.0007536500000000, 0.0023015200000000 ] - [ 0.0005821900000000, 0.0002467800000000, 0.0008500800000000 ] - [ 0.0002402000000000, 0.0004243900000000, 0.0007495400000000 ] - [ 0.0002904500000000, 0.0006172200000000, 0.0004848200000000 ] - [ 0.1577757000000000, 0.0000000000000000, -0.0986894700000000 ] - [ 0.0014376800000000, 0.0000000000000000, -0.0017970700000000 ] - [ -0.0005003800000000, 0.0000000000000000, 0.0001015900000000 ] - [ -0.0001967400000000, 0.0000000000000000, -0.0004298400000000 ] - [ -0.0005049000000000, 0.0000000000000000, 0.0001706500000000 ] - [ -0.0001999800000000, 0.0000000000000000, -0.0005674700000000 ] - [ -0.0009777000000000, -0.0015751400000000, 0.0006288200000000 ] - [ -0.0005899400000000, -0.0002756300000000, -0.0001980800000000 ] - [ -0.0001338600000000, -0.0010849900000000, -0.0008391700000000 ] - [ -0.0002130600000000, -0.0002315200000000, -0.0006193200000000 ] - [ -0.0002656800000000, -0.0007976300000000, 0.0000354400000000 ] - [ -0.0002590100000000, -0.0008012600000000, 0.0000136800000000 ] - [ -0.0005899400000000, 0.0002756300000000, -0.0001980800000000 ] - [ -0.0009777000000000, 0.0015751400000000, 0.0006288200000000 ] - [ -0.0002130600000000, 0.0002315200000000, -0.0006193200000000 ] - [ -0.0001338600000000, 0.0010849900000000, -0.0008391700000000 ] - [ -0.0002590100000000, 0.0008012600000000, 0.0000136800000000 ] - [ -0.0002656800000000, 0.0007976300000000, 0.0000354400000000 ] - [ -0.0532275800000000, 0.0000000000000000, 0.0098892200000000 ] - [ 0.0011402800000000, 0.0000000000000000, 0.0004097700000000 ] - [ 0.0018626400000000, 0.0000000000000000, 0.0012690800000000 ] - [ 0.0012890000000000, 0.0000000000000000, 0.0008782300000000 ] - [ 0.0004678000000000, 0.0000000000000000, 0.0008390200000000 ] - [ 0.0006403200000000, 0.0000000000000000, 0.0006887400000000 ] - [ -0.0005607000000000, -0.0002014100000000, 0.0013259000000000 ] - [ -0.0005607000000000, 0.0002014100000000, 0.0013259000000000 ] - [ 0.0002024200000000, -0.0008109100000000, 0.0001380400000000 ] - [ 0.0002024200000000, 0.0008109100000000, 0.0001380400000000 ] - [ 0.0002350900000000, 0.0000065200000000, 0.0008229100000000 ] - [ 0.0002350900000000, -0.0000065200000000, 0.0008229100000000 ] - [ -0.0002818000000000, -0.0009264600000000, -0.0000868700000000 ] - [ -0.0001247900000000, -0.0008914200000000, -0.0000917000000000 ] - [ 0.0000227400000000, -0.0010706400000000, -0.0002944300000000 ] - [ 0.0001284000000000, -0.0007147200000000, -0.0000031500000000 ] - [ 0.0002987600000000, -0.0007548600000000, 0.0000444700000000 ] - [ 0.0003020100000000, -0.0007714500000000, 0.0000676600000000 ] - [ -0.0014825900000000, 0.0000000000000000, -0.0014500800000000 ] - [ -0.0009304900000000, 0.0000000000000000, -0.0008450800000000 ] - [ -0.0033808200000000, 0.0000000000000000, -0.0009152800000000 ] - [ -0.0015929500000000, 0.0000000000000000, -0.0007075500000000 ] - [ -0.0007284700000000, 0.0000000000000000, -0.0004587900000000 ] - [ -0.0006915400000000, 0.0000000000000000, -0.0004419300000000 ] - [ -0.0001247900000000, 0.0008914200000000, -0.0000917000000000 ] - [ -0.0002818000000000, 0.0009264600000000, -0.0000868700000000 ] - [ 0.0001284000000000, 0.0007147200000000, -0.0000031500000000 ] - [ 0.0000227400000000, 0.0010706400000000, -0.0002944300000000 ] - [ 0.0003020100000000, 0.0007714500000000, 0.0000676600000000 ] - [ 0.0002987600000000, 0.0007548600000000, 0.0000444700000000 ] - [ -0.0009807000000000, -0.0001832300000000, -0.0006071800000000 ] - [ -0.0009807000000000, 0.0001832300000000, -0.0006071800000000 ] - [ -0.0001418900000000, -0.0000578900000000, -0.0009343000000000 ] - [ -0.0001418900000000, 0.0000578900000000, -0.0009343000000000 ] - [ -0.0001394700000000, 0.0000254700000000, -0.0009005700000000 ] - [ -0.0001394700000000, -0.0000254700000000, -0.0009005700000000 ] - [ -0.0001970300000000, -0.0002403400000000, -0.0009895700000000 ] - [ -0.0012165400000000, -0.0012496500000000, -0.0036510700000000 ] - [ -0.0006281400000000, -0.0007401500000000, 0.0002074900000000 ] - [ -0.0009813100000000, -0.0012514500000000, 0.0007922600000000 ] - [ -0.0002808400000000, -0.0009130500000000, 0.0001773700000000 ] - [ -0.0002688000000000, -0.0008728400000000, 0.0001557600000000 ] - [ -0.0012165400000000, 0.0012496500000000, -0.0036510700000000 ] - [ -0.0001970300000000, 0.0002403400000000, -0.0009895700000000 ] - [ -0.0009813100000000, 0.0012514500000000, 0.0007922600000000 ] - [ -0.0006281400000000, 0.0007401500000000, 0.0002074900000000 ] - [ -0.0002688000000000, 0.0008728400000000, 0.0001557600000000 ] - [ -0.0002808400000000, 0.0009130500000000, 0.0001773700000000 ] - [ -0.0008372500000000, 0.0001310600000000, -0.0000809200000000 ] - [ -0.0008372500000000, -0.0001310600000000, -0.0000809200000000 ] - [ 0.0002450500000000, -0.0000257600000000, 0.0003927000000000 ] - [ 0.0002450500000000, 0.0000257600000000, 0.0003927000000000 ] - [ 0.0008617900000000, 0.0000459100000000, 0.0003966400000000 ] - [ 0.0008617900000000, -0.0000459100000000, 0.0003966400000000 ] - [ 0.0017000000000000, 0.0000000000000000, -0.0002818700000000 ] - [ 0.0006719800000000, 0.0000000000000000, 0.0002864500000000 ] - [ -0.0062944500000000, 0.0000000000000000, 0.0040789500000000 ] - [ -0.0011351100000000, 0.0000000000000000, 0.0014279800000000 ] - [ -0.0002380600000000, 0.0000000000000000, 0.0011923500000000 ] - [ -0.0001907000000000, 0.0000000000000000, 0.0011190800000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000023500000000, 0.0003226000000000, -0.0000008900000000 ] - [ 0.0000021200000000, -0.0003117500000000, 0.0000004200000000 ] - [ 0.0000242200000000, 0.0007385300000000, 0.0000100900000000 ] - [ 0.0000030100000000, -0.0007275400000000, 0.0000028700000000 ] - [ -0.0000019300000000, 0.0004464000000000, 0.0000008200000000 ] - [ -0.0000022100000000, -0.0004274400000000, -0.0000013000000000 ] - [ 0.0004693100000000, -0.0009518900000000, 0.0021915700000000 ] - [ -0.0004799200000000, -0.0009685000000000, -0.0022104900000000 ] - [ 0.0006064900000000, 0.0019751700000000, -0.0003877800000000 ] - [ -0.0007660100000000, 0.0017286500000000, 0.0004431100000000 ] - [ 0.0001167500000000, -0.0000107300000000, -0.0002239200000000 ] - [ -0.0001135200000000, -0.0000122700000000, 0.0002114600000000 ] - [ -0.0009127000000000, 0.0467772600000000, 0.0000554100000000 ] - [ -0.0007452700000000, -0.0029259900000000, -0.0001099100000000 ] - [ -0.0007397500000000, 0.0028097400000000, -0.0001335000000000 ] - [ -0.0007387100000000, -0.0018310000000000, -0.0001313300000000 ] - [ -0.0007332600000000, 0.0003759800000000, -0.0001297800000000 ] - [ -0.0007356100000000, -0.0003782700000000, -0.0001256800000000 ] - [ -0.0000405800000000, -0.0001029700000000, 0.0000800300000000 ] - [ 0.0015215000000000, -0.0001169400000000, 0.0001586400000000 ] - [ -0.0026806000000000, -0.0000780000000000, -0.0018000200000000 ] - [ 0.0041195000000000, -0.0000994900000000, 0.0020465200000000 ] - [ 0.0007025800000000, -0.0000009100000000, -0.0000399100000000 ] - [ 0.0007646700000000, -0.0000021200000000, 0.0002788700000000 ] - [ 0.0000658800000000, -0.0000281700000000, 0.0003070300000000 ] - [ -0.0015176500000000, -0.0000321900000000, -0.0005421100000000 ] - [ -0.0008109100000000, -0.0000009200000000, -0.0001972900000000 ] - [ -0.0006570300000000, -0.0000052900000000, -0.0000452000000000 ] - [ -0.0004911000000000, -0.0000014200000000, 0.0000925100000000 ] - [ -0.0009828300000000, -0.0000033000000000, -0.0003384100000000 ] - [ 0.0007250500000000, 0.0043324900000000, 0.0001239600000000 ] - [ 0.0007344800000000, -0.0019795600000000, 0.0001310000000000 ] - [ 0.0007462400000000, 0.0008882200000000, 0.0001212200000000 ] - [ 0.0007486700000000, -0.0009344900000000, 0.0001161800000000 ] - [ 0.0007367100000000, 0.0004123800000000, 0.0001189100000000 ] - [ 0.0007366900000000, -0.0004747900000000, 0.0001193300000000 ] - [ 0.0004933900000000, 0.0006963400000000, 0.0004204900000000 ] - [ -0.0148701300000000, 0.0065812300000000, 0.0286894800000000 ] - [ 0.0003975300000000, 0.0002582500000000, 0.0009269400000000 ] - [ 0.0005337700000000, -0.0018369800000000, -0.0013830700000000 ] - [ 0.0003353800000000, -0.0005829300000000, 0.0001610400000000 ] - [ 0.0002827500000000, -0.0008893900000000, 0.0000954200000000 ] - [ -0.0001363000000000, 0.0001374300000000, -0.0005842400000000 ] - [ -0.0012210200000000, 0.0001408400000000, -0.0004236200000000 ] - [ 0.0026373600000000, 0.0023368300000000, 0.0015213000000000 ] - [ -0.0039334300000000, 0.0022936800000000, -0.0025031400000000 ] - [ -0.0006364800000000, 0.0000050200000000, -0.0004241100000000 ] - [ -0.0007139100000000, 0.0000052000000000, -0.0005824000000000 ] - [ 0.0156074400000000, 0.0079538500000000, -0.0286748600000000 ] - [ 0.0001182600000000, 0.0021675200000000, -0.0001620500000000 ] - [ 0.0000746400000000, -0.0003762800000000, 0.0016651200000000 ] - [ 0.0002131300000000, 0.0017170200000000, -0.0006503500000000 ] - [ 0.0003245100000000, 0.0005716300000000, 0.0001770700000000 ] - [ 0.0002721800000000, 0.0008812500000000, 0.0001083800000000 ] - [ 0.0003168100000000, -0.0627746900000000, -0.0008580100000000 ] - [ -0.0000605000000000, 0.0013377700000000, -0.0008344700000000 ] - [ -0.0000698200000000, -0.0004615200000000, -0.0008249800000000 ] - [ -0.0000696300000000, 0.0003000900000000, -0.0008252500000000 ] - [ -0.0000703800000000, -0.0004615000000000, -0.0008241800000000 ] - [ -0.0000693900000000, 0.0003000700000000, -0.0008267300000000 ] - [ -0.0001301500000000, -0.0008682800000000, -0.0000817400000000 ] - [ -0.0004347500000000, -0.0005624200000000, -0.0001959700000000 ] - [ 0.0002071500000000, -0.0012872600000000, 0.0004801100000000 ] - [ -0.0008911400000000, -0.0000234700000000, -0.0008753600000000 ] - [ -0.0002941000000000, -0.0007920400000000, -0.0000888800000000 ] - [ -0.0003144700000000, -0.0006737400000000, -0.0001753700000000 ] - [ -0.0001765600000000, 0.0008971600000000, -0.0000716400000000 ] - [ -0.0004846500000000, 0.0006032200000000, -0.0001784300000000 ] - [ 0.0002882200000000, 0.0014394700000000, 0.0006110900000000 ] - [ -0.0008120400000000, 0.0001841500000000, -0.0007481900000000 ] - [ -0.0002940800000000, 0.0007912700000000, -0.0000883500000000 ] - [ -0.0003144400000000, 0.0006739800000000, -0.0001743200000000 ] - [ 0.0004972700000000, -0.0089217800000000, 0.0005247900000000 ] - [ 0.0006781400000000, 0.0005537700000000, 0.0005037300000000 ] - [ 0.0006802500000000, -0.0003904700000000, 0.0005081200000000 ] - [ 0.0006795500000000, 0.0002890600000000, 0.0005081500000000 ] - [ 0.0006753900000000, -0.0001019800000000, 0.0005069800000000 ] - [ 0.0006765400000000, 0.0000941900000000, 0.0005065300000000 ] - [ 0.0002668000000000, 0.0000046700000000, 0.0007342700000000 ] - [ -0.0001360000000000, 0.0000069100000000, 0.0009262500000000 ] - [ 0.0008833300000000, 0.0000011100000000, 0.0007223800000000 ] - [ -0.0007410500000000, 0.0000092100000000, 0.0009272000000000 ] - [ 0.0000617900000000, 0.0000014300000000, 0.0009134300000000 ] - [ 0.0000751400000000, 0.0000019900000000, 0.0007443800000000 ] - [ 0.0001722900000000, -0.0009127200000000, -0.0000260800000000 ] - [ 0.0004226700000000, -0.0005482300000000, 0.0002892900000000 ] - [ 0.0003503400000000, -0.0007786700000000, 0.0001519300000000 ] - [ 0.0002588700000000, -0.0006855200000000, 0.0001137900000000 ] - [ 0.0002645800000000, -0.0008125200000000, 0.0000659800000000 ] - [ 0.0003452700000000, -0.0006513900000000, 0.0002020300000000 ] - [ -0.0006755900000000, -0.0005948900000000, -0.0005056300000000 ] - [ -0.0006786000000000, 0.0002845800000000, -0.0005069700000000 ] - [ -0.0006840000000000, -0.0001495400000000, -0.0005071700000000 ] - [ -0.0006827000000000, 0.0001505800000000, -0.0005064100000000 ] - [ -0.0006765900000000, -0.0000736800000000, -0.0005044400000000 ] - [ -0.0006767900000000, 0.0000848200000000, -0.0005045600000000 ] - [ 0.0001813800000000, 0.0009166200000000, -0.0000255400000000 ] - [ 0.0004309700000000, 0.0005556600000000, 0.0002887000000000 ] - [ 0.0003480500000000, 0.0007774300000000, 0.0001526000000000 ] - [ 0.0002557200000000, 0.0006890000000000, 0.0001110600000000 ] - [ 0.0002630300000000, 0.0008120400000000, 0.0000653900000000 ] - [ 0.0003436500000000, 0.0006520500000000, 0.0002011600000000 ] - [ -0.0002560100000000, 0.0000023200000000, -0.0007921900000000 ] - [ 0.0001122300000000, 0.0000048800000000, -0.0008635800000000 ] - [ -0.0000427800000000, -0.0000000900000000, -0.0007865400000000 ] - [ -0.0000947600000000, 0.0000009400000000, -0.0008696100000000 ] - [ -0.0001262700000000, 0.0000001100000000, -0.0008598500000000 ] - [ -0.0000104800000000, 0.0000008400000000, -0.0007966300000000 ] - [ -0.0005005000000000, 0.0003448100000000, -0.0008791500000000 ] - [ 0.0010437200000000, -0.0021627700000000, 0.0019284600000000 ] - [ -0.0004569400000000, -0.0003221300000000, -0.0001664600000000 ] - [ -0.0001607600000000, -0.0011226400000000, -0.0000764400000000 ] - [ -0.0003450800000000, -0.0004525300000000, -0.0003610300000000 ] - [ -0.0002737200000000, -0.0009631600000000, 0.0000376300000000 ] - [ -0.0016493600000000, -0.0007073400000000, -0.0022068000000000 ] - [ -0.0001078300000000, 0.0018048100000000, 0.0006024400000000 ] - [ -0.0004523700000000, 0.0003409100000000, -0.0001870000000000 ] - [ -0.0001568600000000, 0.0011434600000000, -0.0000932800000000 ] - [ -0.0003352700000000, 0.0005023600000000, -0.0003000300000000 ] - [ -0.0002638500000000, 0.0010140600000000, 0.0000986200000000 ] - [ -0.0003356200000000, -0.0000136800000000, 0.0001548600000000 ] - [ 0.0016701400000000, -0.0000117600000000, 0.0008475700000000 ] - [ 0.0006803100000000, -0.0000021000000000, 0.0005235700000000 ] - [ 0.0006689700000000, -0.0000013100000000, 0.0004868600000000 ] - [ 0.0004189900000000, 0.0000041400000000, 0.0003399800000000 ] - [ 0.0009360800000000, 0.0000050400000000, 0.0006717600000000 ] - [ 0.0000724200000000, -0.0009216800000000, 0.0008280700000000 ] - [ 0.0000706300000000, 0.0005058900000000, 0.0008255100000000 ] - [ 0.0000625100000000, -0.0011228800000000, 0.0008292600000000 ] - [ 0.0000582200000000, 0.0017709200000000, 0.0008329700000000 ] - [ 0.0000663400000000, -0.0001039600000000, 0.0008303100000000 ] - [ 0.0000664000000000, 0.0001145700000000, 0.0008302200000000 ]- atom: 55 displacement: [ -0.0037734251549958, 0.0000000000000000, 0.0092607376919792 ] forces: - [ 0.0006204100000000, 0.0000000000000000, -0.0003172800000000 ] - [ 0.0004679300000000, 0.0000000000000000, -0.0001480400000000 ] - [ 0.0036564700000000, 0.0000000000000000, 0.0021903000000000 ] - [ 0.0006677300000000, 0.0000000000000000, 0.0008627000000000 ] - [ -0.0010491900000000, 0.0000000000000000, -0.0007188900000000 ] - [ -0.0005079000000000, 0.0000000000000000, -0.0004538100000000 ] - [ -0.0016933500000000, 0.0025846000000000, -0.0036244900000000 ] - [ -0.0016933500000000, -0.0025846000000000, -0.0036244900000000 ] - [ 0.0003819800000000, -0.0047044700000000, 0.0034737500000000 ] - [ 0.0003819800000000, 0.0047044700000000, 0.0034737500000000 ] - [ 0.0007814800000000, -0.0004513400000000, -0.0017929300000000 ] - [ 0.0007814800000000, 0.0004513400000000, -0.0017929300000000 ] - [ -0.0840181400000000, 0.0000000000000000, 0.1020239000000000 ] - [ -0.0019598100000000, 0.0000000000000000, 0.0031117200000000 ] - [ -0.0007330600000000, 0.0000000000000000, -0.0061405200000000 ] - [ -0.0010132100000000, 0.0000000000000000, -0.0015736900000000 ] - [ 0.0007771100000000, 0.0000000000000000, -0.0026558500000000 ] - [ -0.0002176000000000, 0.0000000000000000, -0.0012438800000000 ] - [ 0.0026911100000000, 0.0011752300000000, -0.0000973000000000 ] - [ 0.0026911100000000, -0.0011752300000000, -0.0000973000000000 ] - [ -0.0019066700000000, -0.0000488900000000, 0.0011138600000000 ] - [ -0.0019066700000000, 0.0000488900000000, 0.0011138600000000 ] - [ 0.0003661900000000, -0.0001330300000000, -0.0009478000000000 ] - [ 0.0003661900000000, 0.0001330300000000, -0.0009478000000000 ] - [ 0.0008981800000000, 0.0000574400000000, 0.0008900800000000 ] - [ 0.0008981800000000, -0.0000574400000000, 0.0008900800000000 ] - [ -0.0005397300000000, 0.0000717600000000, -0.0000787200000000 ] - [ -0.0005397300000000, -0.0000717600000000, -0.0000787200000000 ] - [ -0.0013299900000000, 0.0000497400000000, -0.0006512500000000 ] - [ -0.0013299900000000, -0.0000497400000000, -0.0006512500000000 ] - [ -0.0018726900000000, 0.0000000000000000, 0.0019519800000000 ] - [ 0.0000129100000000, 0.0000000000000000, 0.0014370900000000 ] - [ 0.0050264000000000, 0.0000000000000000, -0.0020267400000000 ] - [ 0.0022460200000000, 0.0000000000000000, -0.0002116800000000 ] - [ 0.0008410200000000, 0.0000000000000000, -0.0013690000000000 ] - [ 0.0008131700000000, 0.0000000000000000, -0.0010476600000000 ] - [ 0.0005633800000000, -0.0017872500000000, -0.0009385100000000 ] - [ -0.0180674900000000, 0.0264635000000000, 0.0350379800000000 ] - [ 0.0004289300000000, -0.0002029200000000, 0.0007528600000000 ] - [ -0.0006180000000000, -0.0012783300000000, 0.0037158800000000 ] - [ 0.0002091800000000, -0.0005600800000000, 0.0006854000000000 ] - [ 0.0001004100000000, -0.0002709500000000, 0.0011048900000000 ] - [ -0.0017440000000000, -0.0004592100000000, -0.0003356600000000 ] - [ -0.0017440000000000, 0.0004592100000000, -0.0003356600000000 ] - [ 0.0015208300000000, 0.0009600900000000, -0.0006825500000000 ] - [ 0.0015208300000000, -0.0009600900000000, -0.0006825500000000 ] - [ -0.0004087400000000, 0.0001049900000000, -0.0000016100000000 ] - [ -0.0004087400000000, -0.0001049900000000, -0.0000016100000000 ] - [ -0.0180674900000000, -0.0264635000000000, 0.0350379800000000 ] - [ 0.0005633800000000, 0.0017872500000000, -0.0009385100000000 ] - [ -0.0006180000000000, 0.0012783300000000, 0.0037158800000000 ] - [ 0.0004289300000000, 0.0002029200000000, 0.0007528600000000 ] - [ 0.0001004100000000, 0.0002709500000000, 0.0011048900000000 ] - [ 0.0002091800000000, 0.0005600800000000, 0.0006854000000000 ] - [ 0.1486428600000000, 0.0000000000000000, -0.1730357600000000 ] - [ 0.0013867700000000, 0.0000000000000000, -0.0022318000000000 ] - [ -0.0011505300000000, 0.0000000000000000, 0.0008158000000000 ] - [ -0.0003545500000000, 0.0000000000000000, -0.0002969200000000 ] - [ -0.0010895500000000, 0.0000000000000000, 0.0008366600000000 ] - [ -0.0004870800000000, 0.0000000000000000, -0.0003466000000000 ] - [ -0.0010173800000000, -0.0011652900000000, 0.0000690100000000 ] - [ -0.0006862700000000, -0.0002166800000000, -0.0004568200000000 ] - [ 0.0003394200000000, -0.0006522400000000, -0.0004644300000000 ] - [ 0.0000909500000000, -0.0008416800000000, -0.0001695300000000 ] - [ -0.0002497800000000, -0.0008803500000000, 0.0002991000000000 ] - [ -0.0002422200000000, -0.0009305900000000, 0.0002459000000000 ] - [ -0.0006862700000000, 0.0002166800000000, -0.0004568200000000 ] - [ -0.0010173800000000, 0.0011652900000000, 0.0000690100000000 ] - [ 0.0000909500000000, 0.0008416800000000, -0.0001695300000000 ] - [ 0.0003394200000000, 0.0006522400000000, -0.0004644300000000 ] - [ -0.0002422200000000, 0.0009305900000000, 0.0002459000000000 ] - [ -0.0002497800000000, 0.0008803500000000, 0.0002991000000000 ] - [ -0.0260451700000000, 0.0000000000000000, -0.0037447100000000 ] - [ 0.0006648300000000, 0.0000000000000000, -0.0001305200000000 ] - [ 0.0019695900000000, 0.0000000000000000, 0.0018377200000000 ] - [ 0.0011754300000000, 0.0000000000000000, 0.0009324200000000 ] - [ 0.0002025900000000, 0.0000000000000000, 0.0008886900000000 ] - [ 0.0005016300000000, 0.0000000000000000, 0.0007206900000000 ] - [ -0.0006274300000000, -0.0001652900000000, 0.0012204000000000 ] - [ -0.0006274300000000, 0.0001652900000000, 0.0012204000000000 ] - [ 0.0007572000000000, -0.0004024000000000, -0.0000969800000000 ] - [ 0.0007572000000000, 0.0004024000000000, -0.0000969800000000 ] - [ 0.0001375500000000, 0.0000807300000000, 0.0011174200000000 ] - [ 0.0001375500000000, -0.0000807300000000, 0.0011174200000000 ] - [ -0.0000877700000000, -0.0009940100000000, -0.0002652300000000 ] - [ -0.0000142900000000, -0.0009058500000000, -0.0002075100000000 ] - [ 0.0002132100000000, -0.0008746800000000, -0.0000733200000000 ] - [ 0.0002465100000000, -0.0007480700000000, 0.0000631300000000 ] - [ 0.0004417500000000, -0.0006050300000000, 0.0004012100000000 ] - [ 0.0004329000000000, -0.0005921100000000, 0.0003688600000000 ] - [ -0.0001963600000000, 0.0000000000000000, -0.0006148900000000 ] - [ -0.0006635300000000, 0.0000000000000000, -0.0007284000000000 ] - [ -0.0029535400000000, 0.0000000000000000, -0.0009307600000000 ] - [ -0.0014524900000000, 0.0000000000000000, -0.0007470800000000 ] - [ -0.0004131900000000, 0.0000000000000000, -0.0001608500000000 ] - [ -0.0004518000000000, 0.0000000000000000, -0.0002108300000000 ] - [ -0.0000142900000000, 0.0009058500000000, -0.0002075100000000 ] - [ -0.0000877700000000, 0.0009940100000000, -0.0002652300000000 ] - [ 0.0002465100000000, 0.0007480700000000, 0.0000631300000000 ] - [ 0.0002132100000000, 0.0008746800000000, -0.0000733200000000 ] - [ 0.0004329000000000, 0.0005921100000000, 0.0003688600000000 ] - [ 0.0004417500000000, 0.0006050300000000, 0.0004012100000000 ] - [ -0.0006184500000000, -0.0001029000000000, -0.0008852100000000 ] - [ -0.0006184500000000, 0.0001029000000000, -0.0008852100000000 ] - [ -0.0000308800000000, 0.0000071500000000, -0.0007875400000000 ] - [ -0.0000308800000000, -0.0000071500000000, -0.0007875400000000 ] - [ 0.0000033700000000, -0.0000295700000000, -0.0007737200000000 ] - [ 0.0000033700000000, 0.0000295700000000, -0.0007737200000000 ] - [ -0.0001140100000000, -0.0003814800000000, -0.0010864600000000 ] - [ 0.0010289800000000, -0.0001256500000000, -0.0012214700000000 ] - [ -0.0006121000000000, -0.0006906900000000, 0.0001052200000000 ] - [ -0.0010237100000000, -0.0011678400000000, 0.0005960000000000 ] - [ -0.0002403000000000, -0.0011096900000000, 0.0005362800000000 ] - [ -0.0002383900000000, -0.0010405100000000, 0.0005711100000000 ] - [ 0.0010289800000000, 0.0001256500000000, -0.0012214700000000 ] - [ -0.0001140100000000, 0.0003814800000000, -0.0010864600000000 ] - [ -0.0010237100000000, 0.0011678400000000, 0.0005960000000000 ] - [ -0.0006121000000000, 0.0006906900000000, 0.0001052200000000 ] - [ -0.0002383900000000, 0.0010405100000000, 0.0005711100000000 ] - [ -0.0002403000000000, 0.0011096900000000, 0.0005362800000000 ] - [ -0.0006065300000000, 0.0000720500000000, -0.0001952300000000 ] - [ -0.0006065300000000, -0.0000720500000000, -0.0001952300000000 ] - [ 0.0004557100000000, 0.0000043000000000, 0.0005605900000000 ] - [ 0.0004557100000000, -0.0000043000000000, 0.0005605900000000 ] - [ 0.0013204700000000, -0.0000530900000000, 0.0007704400000000 ] - [ 0.0013204700000000, 0.0000530900000000, 0.0007704400000000 ] - [ 0.0017028300000000, 0.0000000000000000, 0.0005287100000000 ] - [ 0.0007943100000000, 0.0000000000000000, 0.0002827000000000 ] - [ -0.0053130400000000, 0.0000000000000000, 0.0029075800000000 ] - [ -0.0009360700000000, 0.0000000000000000, 0.0012329300000000 ] - [ -0.0003806600000000, 0.0000000000000000, 0.0014662300000000 ] - [ -0.0002952600000000, 0.0000000000000000, 0.0013281500000000 ]- atom: 55 displacement: [ 0.0037734251549958, 0.0000000000000000, -0.0092607376919792 ] forces: - [ -0.0006266600000000, 0.0000000000000000, 0.0003122500000000 ] - [ -0.0004706600000000, 0.0000000000000000, 0.0001451300000000 ] - [ -0.0036428500000000, 0.0000000000000000, -0.0021864000000000 ] - [ -0.0006676600000000, 0.0000000000000000, -0.0008632100000000 ] - [ 0.0010438800000000, 0.0000000000000000, 0.0007178900000000 ] - [ 0.0005070600000000, 0.0000000000000000, 0.0004546400000000 ] - [ 0.0017060700000000, -0.0025881900000000, 0.0036317000000000 ] - [ 0.0017060700000000, 0.0025881900000000, 0.0036317000000000 ] - [ -0.0004006200000000, 0.0047202800000000, -0.0034349700000000 ] - [ -0.0004006200000000, -0.0047202800000000, -0.0034349700000000 ] - [ -0.0007769000000000, 0.0004463100000000, 0.0017898300000000 ] - [ -0.0007769000000000, -0.0004463100000000, 0.0017898300000000 ] - [ 0.0910870500000000, 0.0000000000000000, -0.1092932800000000 ] - [ 0.0004865500000000, 0.0000000000000000, -0.0033640900000000 ] - [ -0.0007433100000000, 0.0000000000000000, 0.0058532700000000 ] - [ -0.0004620100000000, 0.0000000000000000, 0.0013293300000000 ] - [ -0.0022531600000000, 0.0000000000000000, 0.0024093300000000 ] - [ -0.0012570800000000, 0.0000000000000000, 0.0009972100000000 ] - [ -0.0012262400000000, -0.0011728600000000, 0.0003359900000000 ] - [ -0.0012262400000000, 0.0011728600000000, 0.0003359900000000 ] - [ 0.0033910200000000, 0.0000499400000000, -0.0008579800000000 ] - [ 0.0033910200000000, -0.0000499400000000, -0.0008579800000000 ] - [ 0.0011012700000000, 0.0001316300000000, 0.0011880300000000 ] - [ 0.0011012700000000, -0.0001316300000000, 0.0011880300000000 ] - [ -0.0023725400000000, -0.0000559200000000, -0.0011342000000000 ] - [ -0.0023725400000000, 0.0000559200000000, -0.0011342000000000 ] - [ -0.0009297300000000, -0.0000717100000000, -0.0001642600000000 ] - [ -0.0009297300000000, 0.0000717100000000, -0.0001642600000000 ] - [ -0.0001430700000000, -0.0000482500000000, 0.0004026600000000 ] - [ -0.0001430700000000, 0.0000482500000000, 0.0004026600000000 ] - [ 0.0033312900000000, 0.0000000000000000, -0.0017591000000000 ] - [ 0.0014624200000000, 0.0000000000000000, -0.0011981700000000 ] - [ -0.0035382700000000, 0.0000000000000000, 0.0022660100000000 ] - [ -0.0007743600000000, 0.0000000000000000, 0.0004608600000000 ] - [ 0.0006356000000000, 0.0000000000000000, 0.0016117000000000 ] - [ 0.0006621500000000, 0.0000000000000000, 0.0012925700000000 ] - [ 0.0000433000000000, 0.0003247300000000, 0.0012071800000000 ] - [ 0.0191245300000000, -0.0285833400000000, -0.0354731900000000 ] - [ 0.0001789600000000, -0.0012620500000000, -0.0004907600000000 ] - [ 0.0012069500000000, -0.0002114900000000, -0.0033928200000000 ] - [ 0.0003989800000000, -0.0009067000000000, -0.0004219700000000 ] - [ 0.0005078500000000, -0.0011948600000000, -0.0008406000000000 ] - [ 0.0003925200000000, 0.0004600400000000, -0.0006775200000000 ] - [ 0.0003925200000000, -0.0004600400000000, -0.0006775200000000 ] - [ -0.0028881600000000, -0.0009705700000000, -0.0003443500000000 ] - [ -0.0028881600000000, 0.0009705700000000, -0.0003443500000000 ] - [ -0.0009447000000000, -0.0001038300000000, -0.0010096200000000 ] - [ -0.0009447000000000, 0.0001038300000000, -0.0010096200000000 ] - [ 0.0191245300000000, 0.0285833400000000, -0.0354731900000000 ] - [ 0.0000433000000000, -0.0003247300000000, 0.0012071800000000 ] - [ 0.0012069500000000, 0.0002114900000000, -0.0033928200000000 ] - [ 0.0001789600000000, 0.0012620500000000, -0.0004907600000000 ] - [ 0.0005078500000000, 0.0011948600000000, -0.0008406000000000 ] - [ 0.0003989800000000, 0.0009067000000000, -0.0004219700000000 ] - [ -0.1581224700000000, 0.0000000000000000, 0.1795673900000000 ] - [ -0.0015225000000000, 0.0000000000000000, 0.0005749300000000 ] - [ 0.0010079800000000, 0.0000000000000000, -0.0024646100000000 ] - [ 0.0002200900000000, 0.0000000000000000, -0.0013631500000000 ] - [ 0.0009546000000000, 0.0000000000000000, -0.0024967500000000 ] - [ 0.0003507800000000, 0.0000000000000000, -0.0013113300000000 ] - [ 0.0004098800000000, -0.0003037800000000, -0.0003311900000000 ] - [ 0.0000797800000000, -0.0012501500000000, 0.0001929500000000 ] - [ -0.0009480000000000, -0.0008108000000000, 0.0001939900000000 ] - [ -0.0007015900000000, -0.0006209800000000, -0.0001003200000000 ] - [ -0.0003572000000000, -0.0005862100000000, -0.0005635900000000 ] - [ -0.0003648000000000, -0.0005366500000000, -0.0005106100000000 ] - [ 0.0000797800000000, 0.0012501500000000, 0.0001929500000000 ] - [ 0.0004098800000000, 0.0003037800000000, -0.0003311900000000 ] - [ -0.0007015900000000, 0.0006209800000000, -0.0001003200000000 ] - [ -0.0009480000000000, 0.0008108000000000, 0.0001939900000000 ] - [ -0.0003648000000000, 0.0005366500000000, -0.0005106100000000 ] - [ -0.0003572000000000, 0.0005862100000000, -0.0005635900000000 ] - [ 0.0274266600000000, 0.0000000000000000, 0.0049154200000000 ] - [ 0.0006918900000000, 0.0000000000000000, 0.0011444100000000 ] - [ -0.0006026000000000, 0.0000000000000000, -0.0008174400000000 ] - [ 0.0001821100000000, 0.0000000000000000, 0.0000792600000000 ] - [ 0.0011571300000000, 0.0000000000000000, 0.0001243900000000 ] - [ 0.0008581600000000, 0.0000000000000000, 0.0002925800000000 ] - [ 0.0007652800000000, 0.0001646700000000, 0.0004368300000000 ] - [ 0.0007652800000000, -0.0001646700000000, 0.0004368300000000 ] - [ -0.0006240900000000, 0.0004007400000000, 0.0017535500000000 ] - [ -0.0006240900000000, -0.0004007400000000, 0.0017535500000000 ] - [ -0.0000002800000000, -0.0000800900000000, 0.0005392600000000 ] - [ -0.0000002800000000, 0.0000800900000000, 0.0005392600000000 ] - [ 0.0006967900000000, -0.0004725400000000, 0.0005292100000000 ] - [ 0.0006229200000000, -0.0005591500000000, 0.0004724600000000 ] - [ 0.0003937500000000, -0.0005921200000000, 0.0003360300000000 ] - [ 0.0003606500000000, -0.0007183400000000, 0.0002000600000000 ] - [ 0.0001657500000000, -0.0008612800000000, -0.0001355000000000 ] - [ 0.0001747800000000, -0.0008735900000000, -0.0001040100000000 ] - [ -0.0011502300000000, 0.0000000000000000, -0.0003892000000000 ] - [ -0.0006937900000000, 0.0000000000000000, -0.0002838300000000 ] - [ 0.0015856200000000, 0.0000000000000000, -0.0000851800000000 ] - [ 0.0000948900000000, 0.0000000000000000, -0.0002679600000000 ] - [ -0.0009451900000000, 0.0000000000000000, -0.0008532200000000 ] - [ -0.0009073200000000, 0.0000000000000000, -0.0008040100000000 ] - [ 0.0006229200000000, 0.0005591500000000, 0.0004724600000000 ] - [ 0.0006967900000000, 0.0004725400000000, 0.0005292100000000 ] - [ 0.0003606500000000, 0.0007183400000000, 0.0002000600000000 ] - [ 0.0003937500000000, 0.0005921200000000, 0.0003360300000000 ] - [ 0.0001747800000000, 0.0008735900000000, -0.0001040100000000 ] - [ 0.0001657500000000, 0.0008612800000000, -0.0001355000000000 ] - [ 0.0004833400000000, 0.0001025500000000, -0.0007739000000000 ] - [ 0.0004833400000000, -0.0001025500000000, -0.0007739000000000 ] - [ -0.0001060600000000, -0.0000071300000000, -0.0008711600000000 ] - [ -0.0001060600000000, 0.0000071300000000, -0.0008711600000000 ] - [ -0.0001388000000000, 0.0000288400000000, -0.0008841000000000 ] - [ -0.0001388000000000, -0.0000288400000000, -0.0008841000000000 ] - [ -0.0004947500000000, -0.0010859300000000, 0.0008212600000000 ] - [ -0.0016276200000000, -0.0013364500000000, 0.0009809400000000 ] - [ 0.0000043200000000, -0.0007736300000000, -0.0003737300000000 ] - [ 0.0004127200000000, -0.0002991000000000, -0.0008618000000000 ] - [ -0.0003683100000000, -0.0003561400000000, -0.0008035900000000 ] - [ -0.0003708300000000, -0.0004250300000000, -0.0008371500000000 ] - [ -0.0016276200000000, 0.0013364500000000, 0.0009809400000000 ] - [ -0.0004947500000000, 0.0010859300000000, 0.0008212600000000 ] - [ 0.0004127200000000, 0.0002991000000000, -0.0008618000000000 ] - [ 0.0000043200000000, 0.0007736300000000, -0.0003737300000000 ] - [ -0.0003708300000000, 0.0004250300000000, -0.0008371500000000 ] - [ -0.0003683100000000, 0.0003561400000000, -0.0008035900000000 ] - [ 0.0019650000000000, -0.0000722100000000, 0.0012065600000000 ] - [ 0.0019650000000000, 0.0000722100000000, 0.0012065600000000 ] - [ 0.0008990300000000, -0.0000043000000000, 0.0004501400000000 ] - [ 0.0008990300000000, 0.0000043000000000, 0.0004501400000000 ] - [ 0.0000353300000000, 0.0000520200000000, 0.0002434700000000 ] - [ 0.0000353300000000, -0.0000520200000000, 0.0002434700000000 ] - [ -0.0015772200000000, 0.0000000000000000, 0.0011403700000000 ] - [ -0.0006617400000000, 0.0000000000000000, 0.0013767900000000 ] - [ 0.0053816900000000, 0.0000000000000000, -0.0012455200000000 ] - [ 0.0010735000000000, 0.0000000000000000, 0.0004226800000000 ] - [ 0.0005144500000000, 0.0000000000000000, 0.0001915400000000 ] - [ 0.0004305300000000, 0.0000000000000000, 0.0003280400000000 ]