# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6d6e7705-38af-44b9-842e-c96bc4e16f92/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 KNa2Y(Si2O5)3 / Imma (74) / materials id 555155](https://mdr.nims.go.jp/datasets/c00622be-962e-40fd-b183-c4a5c361f12c) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Imma" number: 74 Hall_symbol: "-I 2b 2"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -7.512110170000000, 4.285868535000000, 5.330288450000000 ] # a - [ 7.512110170000000, -4.285868535000000, 5.330288450000000 ] # b - [ 7.512110170000000, 4.285868535000000, -5.330288450000000 ] # c points: - symbol: K # 1 coordinates: [ 0.680095690000000, 0.430095690000000, 0.250000000000000 ] mass: 39.098300 - symbol: K # 2 coordinates: [ 0.319904310000000, 0.569904310000000, 0.750000000000000 ] mass: 39.098300 - symbol: Na # 3 coordinates: [ 0.500000000000000, 0.756732380000000, 0.256732380000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.500000000000000, 0.243267620000000, 0.743267620000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.000000000000000, 0.756732380000000, 0.756732380000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.000000000000000, 0.243267620000000, 0.243267620000000 ] mass: 22.989769 - symbol: Y # 7 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 88.905850 - symbol: Y # 8 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 88.905850 - symbol: Si # 9 coordinates: [ 0.856756640000000, 0.384042030000000, 0.681622170000000 ] mass: 28.085500 - symbol: Si # 10 coordinates: [ 0.217247370000000, 0.067384290000000, 0.350136920000000 ] mass: 28.085500 - symbol: Si # 11 coordinates: [ 0.856756640000000, 0.175134470000000, 0.472714610000000 ] mass: 28.085500 - symbol: Si # 12 coordinates: [ 0.782752630000000, 0.132889550000000, 0.850136920000000 ] mass: 28.085500 - symbol: Si # 13 coordinates: [ 0.217247370000000, 0.867110450000000, 0.149863080000000 ] mass: 28.085500 - symbol: Si # 14 coordinates: [ 0.797580140000000, 0.615957970000000, 0.972714610000000 ] mass: 28.085500 - symbol: Si # 15 coordinates: [ 0.143243360000000, 0.615957970000000, 0.318377830000000 ] mass: 28.085500 - symbol: Si # 16 coordinates: [ 0.782752630000000, 0.932615710000000, 0.649863080000000 ] mass: 28.085500 - symbol: Si # 17 coordinates: [ 0.797580140000000, 0.824865530000000, 0.181622170000000 ] mass: 28.085500 - symbol: Si # 18 coordinates: [ 0.143243360000000, 0.824865530000000, 0.527285390000000 ] mass: 28.085500 - symbol: Si # 19 coordinates: [ 0.202419860000000, 0.384042030000000, 0.027285390000000 ] mass: 28.085500 - symbol: Si # 20 coordinates: [ 0.202419860000000, 0.175134470000000, 0.818377830000000 ] mass: 28.085500 - symbol: O # 21 coordinates: [ 0.606064850000000, 0.830835460000000, 0.103654150000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.722660190000000, 0.237304420000000, 0.707532730000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.393935150000000, 0.169164540000000, 0.896345850000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.681926470000000, 0.753697740000000, 0.571771270000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.029771690000000, 0.237304420000000, 0.014644230000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.606064850000000, 0.502410700000000, 0.775229390000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.863222440000000, 0.319459660000000, 0.543762780000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.227181310000000, 0.502410700000000, 0.396345850000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.318073530000000, 0.889844800000000, 0.071771270000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.029771690000000, 0.015127460000000, 0.792467270000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.136777560000000, 0.680540340000000, 0.456237220000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.318073530000000, 0.246302260000000, 0.428228730000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.227181310000000, 0.830835460000000, 0.724770610000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.970228310000000, 0.762695580000000, 0.985355770000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.393935150000000, 0.497589300000000, 0.224770610000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.909083570000000, 0.529529540000000, 0.120445970000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.277339810000000, 0.762695580000000, 0.292467270000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.090916430000000, 0.211362400000000, 0.620445970000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.772818690000000, 0.497589300000000, 0.603654150000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.724303120000000, 0.680540340000000, 0.043762780000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.277230470000000, 0.027230470000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.772818690000000, 0.169164540000000, 0.275229390000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.275696880000000, 0.319459660000000, 0.956237220000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.722769530000000, 0.972769530000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.277339810000000, 0.984872540000000, 0.514644230000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.722660190000000, 0.015127460000000, 0.485355770000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.970228310000000, 0.984872540000000, 0.207532730000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.909083570000000, 0.788637600000000, 0.379554030000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.681926470000000, 0.110155200000000, 0.928228730000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.090916430000000, 0.470470460000000, 0.879554030000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.116662467809457, 0.093803553914610 ] # a* - [ 0.066559194245683, 0.000000000000000, 0.093803553914610 ] # b* - [ 0.066559194245683, 0.116662467809457, 0.000000000000000 ] # c*unit_cell: lattice: - [ 15.024220339999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.571737069999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.660576900000001 ] # c points: - symbol: K # 1 coordinates: [ 0.000000000000000, 0.250000000000000, 0.430095690000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.000000000000000, 0.750000000000000, 0.569904310000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.500000000000000, 0.750000000000000, 0.930095690000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 4 coordinates: [ 0.500000000000000, 0.250000000000000, 0.069904310000000 ] mass: 39.098300 reduced_to: 2 - symbol: Na # 5 coordinates: [ 0.256732380000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.743267620000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.256732380000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.743267620000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.756732380000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 10 coordinates: [ 0.243267620000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 11 coordinates: [ 0.756732380000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 12 coordinates: [ 0.243267620000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 8 - symbol: Y # 13 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 88.905850 reduced_to: 13 - symbol: Y # 14 coordinates: [ 0.250000000000000, 0.750000000000000, 0.750000000000000 ] mass: 88.905850 reduced_to: 14 - symbol: Y # 15 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 88.905850 reduced_to: 13 - symbol: Y # 16 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 88.905850 reduced_to: 14 - symbol: Si # 17 coordinates: [ 0.104453780000000, 0.577168390000000, 0.279588250000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 18 coordinates: [ 0.600136920000000, 0.750000000000000, 0.467247370000000 ] mass: 28.085500 reduced_to: 18 - symbol: Si # 19 coordinates: [ 0.895546220000000, 0.577168390000000, 0.279588250000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 20 coordinates: [ 0.600136920000000, 0.250000000000000, 0.532752630000000 ] mass: 28.085500 reduced_to: 20 - symbol: Si # 21 coordinates: [ 0.399863080000000, 0.750000000000000, 0.467247370000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 22 coordinates: [ 0.895546220000000, 0.077168390000000, 0.720411750000000 ] mass: 28.085500 reduced_to: 22 - symbol: Si # 23 coordinates: [ 0.895546220000000, 0.422831610000000, 0.720411750000000 ] mass: 28.085500 reduced_to: 23 - symbol: Si # 24 coordinates: [ 0.399863080000000, 0.250000000000000, 0.532752630000000 ] mass: 28.085500 reduced_to: 24 - symbol: Si # 25 coordinates: [ 0.104453780000000, 0.077168390000000, 0.720411750000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 26 coordinates: [ 0.104453780000000, 0.422831610000000, 0.720411750000000 ] mass: 28.085500 reduced_to: 26 - symbol: Si # 27 coordinates: [ 0.104453780000000, 0.922831610000000, 0.279588250000000 ] mass: 28.085500 reduced_to: 27 - symbol: Si # 28 coordinates: [ 0.895546220000000, 0.922831610000000, 0.279588250000000 ] mass: 28.085500 reduced_to: 28 - symbol: Si # 29 coordinates: [ 0.604453780000000, 0.077168390000000, 0.779588250000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 30 coordinates: [ 0.100136920000000, 0.250000000000000, 0.967247370000000 ] mass: 28.085500 reduced_to: 18 - symbol: Si # 31 coordinates: [ 0.395546220000000, 0.077168390000000, 0.779588250000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 32 coordinates: [ 0.100136920000000, 0.750000000000000, 0.032752630000000 ] mass: 28.085500 reduced_to: 20 - symbol: Si # 33 coordinates: [ 0.899863080000000, 0.250000000000000, 0.967247370000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 34 coordinates: [ 0.395546220000000, 0.577168390000000, 0.220411750000000 ] mass: 28.085500 reduced_to: 22 - symbol: Si # 35 coordinates: [ 0.395546220000000, 0.922831610000000, 0.220411750000000 ] mass: 28.085500 reduced_to: 23 - symbol: Si # 36 coordinates: [ 0.899863080000000, 0.750000000000000, 0.032752630000000 ] mass: 28.085500 reduced_to: 24 - symbol: Si # 37 coordinates: [ 0.604453780000000, 0.577168390000000, 0.220411750000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 38 coordinates: [ 0.604453780000000, 0.922831610000000, 0.220411750000000 ] mass: 28.085500 reduced_to: 26 - symbol: Si # 39 coordinates: [ 0.604453780000000, 0.422831610000000, 0.779588250000000 ] mass: 28.085500 reduced_to: 27 - symbol: Si # 40 coordinates: [ 0.395546220000000, 0.422831610000000, 0.779588250000000 ] mass: 28.085500 reduced_to: 28 - symbol: O # 41 coordinates: [ 0.164212380000000, 0.939441770000000, 0.666623080000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.111088480000000, 0.596444250000000, 0.126215940000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.835787620000000, 0.060558230000000, 0.333376920000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.321771270000000, 0.250000000000000, 0.431926470000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.111088480000000, 0.903555750000000, 0.126215940000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.835787620000000, 0.939441770000000, 0.666623080000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.000000000000000, 0.543762780000000, 0.319459660000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.835787620000000, 0.560558230000000, 0.666623080000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.321771270000000, 0.750000000000000, 0.568073530000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.888911520000000, 0.903555750000000, 0.126215940000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.000000000000000, 0.456237220000000, 0.680540340000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.678228730000000, 0.750000000000000, 0.568073530000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.164212380000000, 0.560558230000000, 0.666623080000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.888911520000000, 0.096444250000000, 0.873784060000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.164212380000000, 0.060558230000000, 0.333376920000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.870445970000000, 0.250000000000000, 0.659083570000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.888911520000000, 0.403555750000000, 0.873784060000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.870445970000000, 0.750000000000000, 0.340916430000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.164212380000000, 0.439441770000000, 0.333376920000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.000000000000000, 0.043762780000000, 0.680540340000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.000000000000000, 0.250000000000000, 0.027230470000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.835787620000000, 0.439441770000000, 0.333376920000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.000000000000000, 0.956237220000000, 0.319459660000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.000000000000000, 0.750000000000000, 0.972769530000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.111088480000000, 0.403555750000000, 0.873784060000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.888911520000000, 0.596444250000000, 0.126215940000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.111088480000000, 0.096444250000000, 0.873784060000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.129554030000000, 0.250000000000000, 0.659083570000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.678228730000000, 0.250000000000000, 0.431926470000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.129554030000000, 0.750000000000000, 0.340916430000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.664212380000000, 0.439441770000000, 0.166623080000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 72 coordinates: [ 0.611088480000000, 0.096444250000000, 0.626215940000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 73 coordinates: [ 0.335787620000000, 0.560558230000000, 0.833376920000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 74 coordinates: [ 0.821771270000000, 0.750000000000000, 0.931926470000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 75 coordinates: [ 0.611088480000000, 0.403555750000000, 0.626215940000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 76 coordinates: [ 0.335787620000000, 0.439441770000000, 0.166623080000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 77 coordinates: [ 0.500000000000000, 0.043762780000000, 0.819459660000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 78 coordinates: [ 0.335787620000000, 0.060558230000000, 0.166623080000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 79 coordinates: [ 0.821771270000000, 0.250000000000000, 0.068073530000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 80 coordinates: [ 0.388911520000000, 0.403555750000000, 0.626215940000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 81 coordinates: [ 0.500000000000000, 0.956237220000000, 0.180540340000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 82 coordinates: [ 0.178228730000000, 0.250000000000000, 0.068073530000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 83 coordinates: [ 0.664212380000000, 0.060558230000000, 0.166623080000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 84 coordinates: [ 0.388911520000000, 0.596444250000000, 0.373784060000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 85 coordinates: [ 0.664212380000000, 0.560558230000000, 0.833376920000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 86 coordinates: [ 0.370445970000000, 0.750000000000000, 0.159083570000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 87 coordinates: [ 0.388911520000000, 0.903555750000000, 0.373784060000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 88 coordinates: [ 0.370445970000000, 0.250000000000000, 0.840916430000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 89 coordinates: [ 0.664212380000000, 0.939441770000000, 0.833376920000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 90 coordinates: [ 0.500000000000000, 0.543762780000000, 0.180540340000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 91 coordinates: [ 0.500000000000000, 0.750000000000000, 0.527230470000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 92 coordinates: [ 0.335787620000000, 0.939441770000000, 0.833376920000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 93 coordinates: [ 0.500000000000000, 0.456237220000000, 0.819459660000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 94 coordinates: [ 0.500000000000000, 0.250000000000000, 0.472769530000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 95 coordinates: [ 0.611088480000000, 0.903555750000000, 0.373784060000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 96 coordinates: [ 0.388911520000000, 0.096444250000000, 0.626215940000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 97 coordinates: [ 0.611088480000000, 0.596444250000000, 0.373784060000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 98 coordinates: [ 0.629554030000000, 0.750000000000000, 0.159083570000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 99 coordinates: [ 0.178228730000000, 0.750000000000000, 0.931926470000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 100 coordinates: [ 0.629554030000000, 0.250000000000000, 0.840916430000000 ] mass: 15.999400 reduced_to: 70supercell: lattice: - [ 15.024220339999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.571737069999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.660576900000001 ] # c points: - symbol: K # 1 coordinates: [ 0.000000000000000, 0.250000000000000, 0.430095690000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.000000000000000, 0.750000000000000, 0.569904310000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.500000000000000, 0.750000000000000, 0.930095690000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 4 coordinates: [ 0.500000000000000, 0.250000000000000, 0.069904310000000 ] mass: 39.098300 reduced_to: 2 - symbol: Na # 5 coordinates: [ 0.256732380000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.743267620000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.256732380000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.743267620000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.756732380000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 10 coordinates: [ 0.243267620000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 11 coordinates: [ 0.756732380000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 12 coordinates: [ 0.243267620000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 8 - symbol: Y # 13 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 88.905850 reduced_to: 13 - symbol: Y # 14 coordinates: [ 0.250000000000000, 0.750000000000000, 0.750000000000000 ] mass: 88.905850 reduced_to: 14 - symbol: Y # 15 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 88.905850 reduced_to: 13 - symbol: Y # 16 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 88.905850 reduced_to: 14 - symbol: Si # 17 coordinates: [ 0.104453780000000, 0.577168390000000, 0.279588250000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 18 coordinates: [ 0.600136920000000, 0.750000000000000, 0.467247370000000 ] mass: 28.085500 reduced_to: 18 - symbol: Si # 19 coordinates: [ 0.895546220000000, 0.577168390000000, 0.279588250000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 20 coordinates: [ 0.600136920000000, 0.250000000000000, 0.532752630000000 ] mass: 28.085500 reduced_to: 20 - symbol: Si # 21 coordinates: [ 0.399863080000000, 0.750000000000000, 0.467247370000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 22 coordinates: [ 0.895546220000000, 0.077168390000000, 0.720411750000000 ] mass: 28.085500 reduced_to: 22 - symbol: Si # 23 coordinates: [ 0.895546220000000, 0.422831610000000, 0.720411750000000 ] mass: 28.085500 reduced_to: 23 - symbol: Si # 24 coordinates: [ 0.399863080000000, 0.250000000000000, 0.532752630000000 ] mass: 28.085500 reduced_to: 24 - symbol: Si # 25 coordinates: [ 0.104453780000000, 0.077168390000000, 0.720411750000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 26 coordinates: [ 0.104453780000000, 0.422831610000000, 0.720411750000000 ] mass: 28.085500 reduced_to: 26 - symbol: Si # 27 coordinates: [ 0.104453780000000, 0.922831610000000, 0.279588250000000 ] mass: 28.085500 reduced_to: 27 - symbol: Si # 28 coordinates: [ 0.895546220000000, 0.922831610000000, 0.279588250000000 ] mass: 28.085500 reduced_to: 28 - symbol: Si # 29 coordinates: [ 0.604453780000000, 0.077168390000000, 0.779588250000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 30 coordinates: [ 0.100136920000000, 0.250000000000000, 0.967247370000000 ] mass: 28.085500 reduced_to: 18 - symbol: Si # 31 coordinates: [ 0.395546220000000, 0.077168390000000, 0.779588250000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 32 coordinates: [ 0.100136920000000, 0.750000000000000, 0.032752630000000 ] mass: 28.085500 reduced_to: 20 - symbol: Si # 33 coordinates: [ 0.899863080000000, 0.250000000000000, 0.967247370000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 34 coordinates: [ 0.395546220000000, 0.577168390000000, 0.220411750000000 ] mass: 28.085500 reduced_to: 22 - symbol: Si # 35 coordinates: [ 0.395546220000000, 0.922831610000000, 0.220411750000000 ] mass: 28.085500 reduced_to: 23 - symbol: Si # 36 coordinates: [ 0.899863080000000, 0.750000000000000, 0.032752630000000 ] mass: 28.085500 reduced_to: 24 - symbol: Si # 37 coordinates: [ 0.604453780000000, 0.577168390000000, 0.220411750000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 38 coordinates: [ 0.604453780000000, 0.922831610000000, 0.220411750000000 ] mass: 28.085500 reduced_to: 26 - symbol: Si # 39 coordinates: [ 0.604453780000000, 0.422831610000000, 0.779588250000000 ] mass: 28.085500 reduced_to: 27 - symbol: Si # 40 coordinates: [ 0.395546220000000, 0.422831610000000, 0.779588250000000 ] mass: 28.085500 reduced_to: 28 - symbol: O # 41 coordinates: [ 0.164212380000000, 0.939441770000000, 0.666623080000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.111088480000000, 0.596444250000000, 0.126215940000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.835787620000000, 0.060558230000000, 0.333376920000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.321771270000000, 0.250000000000000, 0.431926470000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.111088480000000, 0.903555750000000, 0.126215940000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.835787620000000, 0.939441770000000, 0.666623080000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.000000000000000, 0.543762780000000, 0.319459660000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.835787620000000, 0.560558230000000, 0.666623080000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.321771270000000, 0.750000000000000, 0.568073530000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.888911520000000, 0.903555750000000, 0.126215940000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.000000000000000, 0.456237220000000, 0.680540340000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.678228730000000, 0.750000000000000, 0.568073530000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.164212380000000, 0.560558230000000, 0.666623080000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.888911520000000, 0.096444250000000, 0.873784060000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.164212380000000, 0.060558230000000, 0.333376920000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.870445970000000, 0.250000000000000, 0.659083570000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.888911520000000, 0.403555750000000, 0.873784060000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.870445970000000, 0.750000000000000, 0.340916430000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.164212380000000, 0.439441770000000, 0.333376920000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.000000000000000, 0.043762780000000, 0.680540340000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.000000000000000, 0.250000000000000, 0.027230470000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.835787620000000, 0.439441770000000, 0.333376920000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.000000000000000, 0.956237220000000, 0.319459660000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.000000000000000, 0.750000000000000, 0.972769530000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.111088480000000, 0.403555750000000, 0.873784060000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.888911520000000, 0.596444250000000, 0.126215940000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.111088480000000, 0.096444250000000, 0.873784060000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.129554030000000, 0.250000000000000, 0.659083570000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.678228730000000, 0.250000000000000, 0.431926470000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.129554030000000, 0.750000000000000, 0.340916430000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.664212380000000, 0.439441770000000, 0.166623080000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 72 coordinates: [ 0.611088480000000, 0.096444250000000, 0.626215940000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 73 coordinates: [ 0.335787620000000, 0.560558230000000, 0.833376920000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 74 coordinates: [ 0.821771270000000, 0.750000000000000, 0.931926470000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 75 coordinates: [ 0.611088480000000, 0.403555750000000, 0.626215940000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 76 coordinates: [ 0.335787620000000, 0.439441770000000, 0.166623080000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 77 coordinates: [ 0.500000000000000, 0.043762780000000, 0.819459660000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 78 coordinates: [ 0.335787620000000, 0.060558230000000, 0.166623080000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 79 coordinates: [ 0.821771270000000, 0.250000000000000, 0.068073530000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 80 coordinates: [ 0.388911520000000, 0.403555750000000, 0.626215940000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 81 coordinates: [ 0.500000000000000, 0.956237220000000, 0.180540340000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 82 coordinates: [ 0.178228730000000, 0.250000000000000, 0.068073530000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 83 coordinates: [ 0.664212380000000, 0.060558230000000, 0.166623080000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 84 coordinates: [ 0.388911520000000, 0.596444250000000, 0.373784060000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 85 coordinates: [ 0.664212380000000, 0.560558230000000, 0.833376920000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 86 coordinates: [ 0.370445970000000, 0.750000000000000, 0.159083570000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 87 coordinates: [ 0.388911520000000, 0.903555750000000, 0.373784060000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 88 coordinates: [ 0.370445970000000, 0.250000000000000, 0.840916430000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 89 coordinates: [ 0.664212380000000, 0.939441770000000, 0.833376920000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 90 coordinates: [ 0.500000000000000, 0.543762780000000, 0.180540340000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 91 coordinates: [ 0.500000000000000, 0.750000000000000, 0.527230470000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 92 coordinates: [ 0.335787620000000, 0.939441770000000, 0.833376920000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 93 coordinates: [ 0.500000000000000, 0.456237220000000, 0.819459660000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 94 coordinates: [ 0.500000000000000, 0.250000000000000, 0.472769530000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 95 coordinates: [ 0.611088480000000, 0.903555750000000, 0.373784060000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 96 coordinates: [ 0.388911520000000, 0.096444250000000, 0.626215940000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 97 coordinates: [ 0.611088480000000, 0.596444250000000, 0.373784060000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 98 coordinates: [ 0.629554030000000, 0.750000000000000, 0.159083570000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 99 coordinates: [ 0.178228730000000, 0.750000000000000, 0.931926470000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 100 coordinates: [ 0.629554030000000, 0.250000000000000, 0.840916430000000 ] mass: 15.999400 reduced_to: 70displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0066375600000000, 0.0000000000000000, -0.0001167700000000 ] - [ -0.0014293800000000, 0.0000000000000000, 0.0001220100000000 ] - [ 0.0005265100000000, 0.0000000000000000, -0.0001238400000000 ] - [ 0.0006957500000000, 0.0000000000000000, 0.0001233300000000 ] - [ 0.0010435000000000, -0.0007666500000000, 0.0004900000000000 ] - [ 0.0015203600000000, 0.0007585000000000, -0.0004876200000000 ] - [ 0.0010435000000000, 0.0007666500000000, 0.0004900000000000 ] - [ 0.0015203600000000, -0.0007585000000000, -0.0004876200000000 ] - [ -0.0000692100000000, -0.0001261300000000, 0.0002212400000000 ] - [ 0.0004114700000000, 0.0001264600000000, -0.0002219400000000 ] - [ -0.0000692100000000, 0.0001261300000000, 0.0002212400000000 ] - [ 0.0004114700000000, -0.0001264600000000, -0.0002219400000000 ] - [ 0.0009423000000000, 0.0000000000000000, -0.0006275600000000 ] - [ 0.0009362500000000, 0.0000000000000000, 0.0006298700000000 ] - [ 0.0055662700000000, 0.0000000000000000, -0.0036245800000000 ] - [ 0.0055347100000000, 0.0000000000000000, 0.0035896900000000 ] - [ -0.0053921900000000, 0.0051695900000000, -0.0024423600000000 ] - [ 0.0014434400000000, 0.0000000000000000, -0.0006969200000000 ] - [ -0.0048920800000000, -0.0047353500000000, 0.0031557700000000 ] - [ 0.0024025700000000, 0.0000000000000000, -0.0004260400000000 ] - [ 0.0020801600000000, 0.0000000000000000, -0.0001157800000000 ] - [ -0.0028520900000000, 0.0035385400000000, -0.0035907400000000 ] - [ -0.0028520900000000, -0.0035385400000000, -0.0035907400000000 ] - [ 0.0030449900000000, 0.0000000000000000, 0.0012477200000000 ] - [ -0.0033385200000000, -0.0031179900000000, 0.0028762200000000 ] - [ -0.0033385200000000, 0.0031179900000000, 0.0028762200000000 ] - [ -0.0053921900000000, -0.0051695900000000, -0.0024423600000000 ] - [ -0.0048920800000000, 0.0047353500000000, 0.0031557700000000 ] - [ 0.0011750900000000, 0.0002565600000000, 0.0000255100000000 ] - [ -0.0029241000000000, 0.0000000000000000, -0.0004821600000000 ] - [ 0.0016309300000000, 0.0001642100000000, 0.0006943100000000 ] - [ -0.0021521300000000, 0.0000000000000000, -0.0007900000000000 ] - [ -0.0022757300000000, 0.0000000000000000, -0.0003351400000000 ] - [ 0.0022760400000000, 0.0006483100000000, -0.0004838700000000 ] - [ 0.0022760400000000, -0.0006483100000000, -0.0004838700000000 ] - [ -0.0015116200000000, 0.0000000000000000, 0.0016070900000000 ] - [ 0.0018188000000000, -0.0002251400000000, -0.0002336300000000 ] - [ 0.0018188000000000, 0.0002251400000000, -0.0002336300000000 ] - [ 0.0011750900000000, -0.0002565600000000, 0.0000255100000000 ] - [ 0.0016309300000000, -0.0001642100000000, 0.0006943100000000 ] - [ 0.0005064500000000, 0.0007435600000000, -0.0009270700000000 ] - [ 0.0012433500000000, -0.0004662200000000, 0.0007216500000000 ] - [ -0.0009899900000000, -0.0027063400000000, -0.0022235100000000 ] - [ -0.0025693000000000, 0.0000000000000000, -0.0008016300000000 ] - [ 0.0012433500000000, 0.0004662200000000, 0.0007216500000000 ] - [ -0.0000458900000000, -0.0010890600000000, 0.0010512400000000 ] - [ 0.0060694000000000, 0.0000082600000000, 0.0004756400000000 ] - [ -0.0000458900000000, 0.0010890600000000, 0.0010512400000000 ] - [ -0.0012582600000000, 0.0000000000000000, 0.0000209900000000 ] - [ 0.0010130300000000, -0.0010126000000000, -0.0017071500000000 ] - [ 0.0043684100000000, -0.0000155200000000, -0.0004653000000000 ] - [ -0.0002432600000000, 0.0000000000000000, -0.0001241200000000 ] - [ 0.0005064500000000, -0.0007435600000000, -0.0009270700000000 ] - [ 0.0007518800000000, -0.0000669100000000, 0.0011685500000000 ] - [ -0.0003893700000000, 0.0030423000000000, 0.0020839100000000 ] - [ 0.0008989600000000, 0.0000000000000000, 0.0027880700000000 ] - [ 0.0007518800000000, 0.0000669100000000, 0.0011685500000000 ] - [ 0.0014236400000000, 0.0000000000000000, -0.0004761600000000 ] - [ -0.0003893700000000, -0.0030423000000000, 0.0020839100000000 ] - [ 0.0043684100000000, 0.0000155200000000, -0.0004653000000000 ] - [ 0.0024903500000000, 0.0000000000000000, -0.0000174700000000 ] - [ -0.0009899900000000, 0.0027063400000000, -0.0022235100000000 ] - [ 0.0060694000000000, -0.0000082600000000, 0.0004756400000000 ] - [ 0.0021190400000000, 0.0000000000000000, 0.0000156100000000 ] - [ 0.0009803100000000, -0.0006158600000000, -0.0001812300000000 ] - [ 0.0010130300000000, 0.0010126000000000, -0.0017071500000000 ] - [ 0.0009803100000000, 0.0006158600000000, -0.0001812300000000 ] - [ 0.0013554800000000, 0.0000000000000000, -0.0023956200000000 ] - [ -0.0015436900000000, 0.0000000000000000, 0.0009014400000000 ] - [ 0.0018539200000000, 0.0000000000000000, 0.0001108200000000 ] - [ -0.0010785600000000, 0.0005857100000000, -0.0003702400000000 ] - [ -0.0005916300000000, 0.0001861600000000, -0.0000972900000000 ] - [ -0.0008972600000000, 0.0003816600000000, -0.0001561100000000 ] - [ -0.0002519600000000, 0.0000000000000000, 0.0000266700000000 ] - [ -0.0005916300000000, -0.0001861600000000, -0.0000972900000000 ] - [ -0.0016239300000000, -0.0009342800000000, 0.0005003100000000 ] - [ -0.0013408400000000, 0.0000171100000000, 0.0004728600000000 ] - [ -0.0016239300000000, 0.0009342800000000, 0.0005003100000000 ] - [ -0.0000041500000000, 0.0000000000000000, -0.0014008900000000 ] - [ -0.0008159800000000, -0.0003635300000000, -0.0008912300000000 ] - [ -0.0018245500000000, -0.0000167700000000, -0.0004732700000000 ] - [ 0.0010185100000000, 0.0000000000000000, 0.0013081200000000 ] - [ -0.0010785600000000, -0.0005857100000000, -0.0003702400000000 ] - [ -0.0008519500000000, 0.0000706100000000, 0.0004780400000000 ] - [ -0.0003538600000000, -0.0000360600000000, 0.0000270500000000 ] - [ -0.0008324100000000, 0.0000000000000000, 0.0002272100000000 ] - [ -0.0008519500000000, -0.0000706100000000, 0.0004780400000000 ] - [ -0.0007166200000000, 0.0000000000000000, -0.0002315500000000 ] - [ -0.0003538600000000, 0.0000360600000000, 0.0000270500000000 ] - [ -0.0018245500000000, 0.0000167700000000, -0.0004732700000000 ] - [ -0.0015372900000000, 0.0000000000000000, -0.0000154700000000 ] - [ -0.0008972600000000, -0.0003816600000000, -0.0001561100000000 ] - [ -0.0013408400000000, -0.0000171100000000, 0.0004728600000000 ] - [ -0.0021667500000000, 0.0000000000000000, 0.0000141400000000 ] - [ -0.0006279800000000, -0.0004766100000000, 0.0005068500000000 ] - [ -0.0008159800000000, 0.0003635300000000, -0.0008912300000000 ] - [ -0.0006279800000000, 0.0004766100000000, 0.0005068500000000 ] - [ -0.0004142200000000, 0.0000000000000000, 0.0001396900000000 ] - [ 0.0007677600000000, 0.0000000000000000, 0.0000718500000000 ] - [ -0.0002984600000000, 0.0000000000000000, -0.0001358300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0257725500000000, 0.0001025000000000 ] - [ 0.0000000000000000, 0.0034115100000000, 0.0001338700000000 ] - [ 0.0000000000000000, 0.0000492600000000, -0.0001255300000000 ] - [ 0.0000000000000000, -0.0000807700000000, 0.0001253500000000 ] - [ -0.0010742100000000, 0.0001711900000000, -0.0002880300000000 ] - [ 0.0010742100000000, 0.0001711900000000, -0.0002880300000000 ] - [ 0.0005912700000000, 0.0001677800000000, 0.0002896100000000 ] - [ -0.0005912700000000, 0.0001677800000000, 0.0002896100000000 ] - [ -0.0003977300000000, -0.0000195200000000, -0.0001234700000000 ] - [ 0.0003977300000000, -0.0000195200000000, -0.0001234700000000 ] - [ -0.0000870800000000, -0.0000182200000000, 0.0001222900000000 ] - [ 0.0000870800000000, -0.0000182200000000, 0.0001222900000000 ] - [ -0.0000008400000000, 0.0012735100000000, 0.0000008200000000 ] - [ 0.0000008400000000, 0.0012735100000000, 0.0000008200000000 ] - [ -0.0000040100000000, -0.0039255500000000, 0.0000014700000000 ] - [ 0.0000040100000000, -0.0039255500000000, 0.0000014700000000 ] - [ 0.0062341600000000, 0.0079364100000000, -0.0038201000000000 ] - [ -0.0003176000000000, 0.0003427700000000, -0.0004106500000000 ] - [ -0.0062341600000000, 0.0079364100000000, -0.0038201000000000 ] - [ -0.0003164700000000, -0.0001869100000000, 0.0004104800000000 ] - [ 0.0003176000000000, 0.0003427700000000, -0.0004106500000000 ] - [ 0.0035069400000000, -0.0014304800000000, -0.0032300000000000 ] - [ -0.0030430600000000, -0.0018875500000000, 0.0024971700000000 ] - [ 0.0003164700000000, -0.0001869100000000, 0.0004104800000000 ] - [ -0.0035069400000000, -0.0014304800000000, -0.0032300000000000 ] - [ 0.0030430600000000, -0.0018875500000000, 0.0024971700000000 ] - [ -0.0066420400000000, 0.0074827000000000, 0.0044977000000000 ] - [ 0.0066420400000000, 0.0074827000000000, 0.0044977000000000 ] - [ -0.0001579200000000, 0.0001000300000000, 0.0003187600000000 ] - [ -0.0003186500000000, -0.0012883200000000, -0.0004129700000000 ] - [ 0.0001579200000000, 0.0001000300000000, 0.0003187600000000 ] - [ -0.0003172900000000, 0.0024997000000000, 0.0004066000000000 ] - [ 0.0003186500000000, -0.0012883200000000, -0.0004129700000000 ] - [ 0.0004599600000000, 0.0004893800000000, -0.0004480300000000 ] - [ 0.0000016400000000, 0.0000698700000000, -0.0002788500000000 ] - [ 0.0003172900000000, 0.0024997000000000, 0.0004066000000000 ] - [ -0.0004599600000000, 0.0004893800000000, -0.0004480300000000 ] - [ -0.0000016400000000, 0.0000698700000000, -0.0002788500000000 ] - [ -0.0003022500000000, -0.0003211000000000, 0.0004077600000000 ] - [ 0.0003022500000000, -0.0003211000000000, 0.0004077600000000 ] - [ 0.0013304000000000, -0.0007660500000000, 0.0009548200000000 ] - [ -0.0005849300000000, -0.0013511400000000, 0.0013514300000000 ] - [ -0.0039273000000000, 0.0007344600000000, -0.0016324600000000 ] - [ -0.0005135200000000, 0.0004764800000000, 0.0000440400000000 ] - [ 0.0008075400000000, -0.0018932600000000, -0.0023275800000000 ] - [ -0.0013304000000000, -0.0007660500000000, 0.0009548200000000 ] - [ 0.0000000000000000, 0.0028864800000000, -0.0002655900000000 ] - [ 0.0007880900000000, -0.0004145900000000, -0.0008304200000000 ] - [ -0.0005150600000000, -0.0002735500000000, -0.0000449000000000 ] - [ -0.0008075400000000, -0.0018932600000000, -0.0023275800000000 ] - [ 0.0000000000000000, 0.0004457600000000, -0.0028828200000000 ] - [ 0.0005150600000000, -0.0002735500000000, -0.0000449000000000 ] - [ -0.0007880900000000, -0.0004145900000000, -0.0008304200000000 ] - [ -0.0005083100000000, 0.0009723100000000, 0.0011441600000000 ] - [ 0.0039273000000000, 0.0007344600000000, -0.0016324600000000 ] - [ -0.0002083700000000, 0.0029234700000000, 0.0001966600000000 ] - [ 0.0002812000000000, 0.0004324000000000, -0.0001538600000000 ] - [ -0.0002008200000000, -0.0046010300000000, -0.0001820500000000 ] - [ -0.0033924600000000, 0.0004305800000000, 0.0014947400000000 ] - [ 0.0000000000000000, 0.0004628800000000, 0.0019712500000000 ] - [ 0.0000000000000000, 0.0005753500000000, -0.0000080500000000 ] - [ 0.0033924600000000, 0.0004305800000000, 0.0014947400000000 ] - [ 0.0000000000000000, 0.0025053300000000, 0.0010251800000000 ] - [ 0.0000000000000000, -0.0006939400000000, 0.0000078400000000 ] - [ -0.0002812000000000, 0.0004324000000000, -0.0001538600000000 ] - [ 0.0005849300000000, -0.0013511400000000, 0.0013514300000000 ] - [ 0.0005083100000000, 0.0009723100000000, 0.0011441600000000 ] - [ 0.0002083700000000, 0.0029234700000000, 0.0001966600000000 ] - [ 0.0005135200000000, 0.0004764800000000, 0.0000440400000000 ] - [ 0.0002008200000000, -0.0046010300000000, -0.0001820500000000 ] - [ 0.0004975800000000, 0.0000393900000000, 0.0001493700000000 ] - [ 0.0000504400000000, 0.0003599200000000, -0.0005004800000000 ] - [ -0.0003371100000000, 0.0000847400000000, -0.0000658400000000 ] - [ -0.0005135700000000, -0.0005710300000000, 0.0000465000000000 ] - [ 0.0001756400000000, -0.0001834100000000, -0.0004842000000000 ] - [ -0.0004975800000000, 0.0000393900000000, 0.0001493700000000 ] - [ 0.0000000000000000, 0.0000497400000000, 0.0004749000000000 ] - [ -0.0000459600000000, 0.0003820100000000, -0.0000179800000000 ] - [ -0.0005158400000000, 0.0006443900000000, -0.0000438700000000 ] - [ -0.0001756400000000, -0.0001834100000000, -0.0004842000000000 ] - [ 0.0000000000000000, -0.0000917500000000, -0.0004878300000000 ] - [ 0.0005158400000000, 0.0006443900000000, -0.0000438700000000 ] - [ 0.0000459600000000, 0.0003820100000000, -0.0000179800000000 ] - [ -0.0002467600000000, 0.0001014300000000, 0.0004479200000000 ] - [ 0.0003371100000000, 0.0000847400000000, -0.0000658400000000 ] - [ -0.0002049500000000, -0.0002130400000000, 0.0001858300000000 ] - [ 0.0000200400000000, -0.0004426600000000, 0.0005362600000000 ] - [ -0.0002044700000000, 0.0000983200000000, -0.0001858500000000 ] - [ 0.0002061800000000, -0.0002587300000000, -0.0000653400000000 ] - [ 0.0000000000000000, -0.0000423900000000, -0.0004401600000000 ] - [ 0.0000000000000000, -0.0000795600000000, -0.0000069500000000 ] - [ -0.0002061800000000, -0.0002587300000000, -0.0000653400000000 ] - [ 0.0000000000000000, 0.0000015500000000, 0.0004540600000000 ] - [ 0.0000000000000000, 0.0000389100000000, 0.0000070300000000 ] - [ -0.0000200400000000, -0.0004426600000000, 0.0005362600000000 ] - [ -0.0000504400000000, 0.0003599200000000, -0.0005004800000000 ] - [ 0.0002467600000000, 0.0001014300000000, 0.0004479200000000 ] - [ 0.0002049500000000, -0.0002130400000000, 0.0001858300000000 ] - [ 0.0005135700000000, -0.0005710300000000, 0.0000465000000000 ] - [ 0.0002044700000000, 0.0000983200000000, -0.0001858500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0143396900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011525600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000821500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003316800000000 ] - [ 0.0000326200000000, -0.0001852900000000, -0.0009074800000000 ] - [ -0.0000326200000000, -0.0001852900000000, -0.0009074800000000 ] - [ 0.0000326200000000, 0.0001852900000000, -0.0009074800000000 ] - [ -0.0000326200000000, 0.0001852900000000, -0.0009074800000000 ] - [ -0.0002190700000000, 0.0000006700000000, 0.0005843600000000 ] - [ 0.0002190700000000, 0.0000006700000000, 0.0005843600000000 ] - [ -0.0002190700000000, -0.0000006700000000, 0.0005843600000000 ] - [ 0.0002190700000000, -0.0000006700000000, 0.0005843600000000 ] - [ -0.0014348300000000, 0.0000000000000000, 0.0009761900000000 ] - [ 0.0014348300000000, 0.0000000000000000, 0.0009761900000000 ] - [ -0.0034656000000000, 0.0000000000000000, 0.0007296300000000 ] - [ 0.0034656000000000, 0.0000000000000000, 0.0007296300000000 ] - [ -0.0031129000000000, -0.0034685800000000, 0.0016109600000000 ] - [ -0.0004938700000000, 0.0000000000000000, -0.0012403300000000 ] - [ 0.0031129000000000, -0.0034685800000000, 0.0016109600000000 ] - [ -0.0002541800000000, 0.0000000000000000, -0.0004182500000000 ] - [ 0.0004938700000000, 0.0000000000000000, -0.0012403300000000 ] - [ -0.0040666200000000, -0.0035889300000000, 0.0053640100000000 ] - [ -0.0040666200000000, 0.0035889300000000, 0.0053640100000000 ] - [ 0.0002541800000000, 0.0000000000000000, -0.0004182500000000 ] - [ 0.0040666200000000, -0.0035889300000000, 0.0053640100000000 ] - [ 0.0040666200000000, 0.0035889300000000, 0.0053640100000000 ] - [ -0.0031129000000000, 0.0034685800000000, 0.0016109600000000 ] - [ 0.0031129000000000, 0.0034685800000000, 0.0016109600000000 ] - [ -0.0005827300000000, 0.0002847500000000, 0.0003052200000000 ] - [ -0.0012550700000000, 0.0000000000000000, 0.0043842200000000 ] - [ 0.0005827300000000, 0.0002847500000000, 0.0003052200000000 ] - [ -0.0004766900000000, 0.0000000000000000, 0.0030801800000000 ] - [ 0.0012550700000000, 0.0000000000000000, 0.0043842200000000 ] - [ -0.0001353100000000, 0.0000067400000000, -0.0005574400000000 ] - [ -0.0001353100000000, -0.0000067400000000, -0.0005574400000000 ] - [ 0.0004766900000000, 0.0000000000000000, 0.0030801800000000 ] - [ 0.0001353100000000, 0.0000067400000000, -0.0005574400000000 ] - [ 0.0001353100000000, -0.0000067400000000, -0.0005574400000000 ] - [ -0.0005827300000000, -0.0002847500000000, 0.0003052200000000 ] - [ 0.0005827300000000, -0.0002847500000000, 0.0003052200000000 ] - [ -0.0013546100000000, 0.0013995200000000, -0.0002581100000000 ] - [ 0.0004738200000000, 0.0008859300000000, -0.0020356200000000 ] - [ -0.0023800100000000, -0.0005391700000000, 0.0010796100000000 ] - [ -0.0001304400000000, 0.0000000000000000, 0.0009865300000000 ] - [ 0.0004738200000000, -0.0008859300000000, -0.0020356200000000 ] - [ 0.0013546100000000, 0.0013995200000000, -0.0002581100000000 ] - [ 0.0000000000000000, -0.0011330700000000, 0.0024731200000000 ] - [ 0.0013546100000000, -0.0013995200000000, -0.0002581100000000 ] - [ -0.0009339700000000, 0.0000000000000000, 0.0006140100000000 ] - [ -0.0004738200000000, -0.0008859300000000, -0.0020356200000000 ] - [ 0.0000000000000000, -0.0018552000000000, -0.0029096400000000 ] - [ 0.0009339700000000, 0.0000000000000000, 0.0006140100000000 ] - [ -0.0013546100000000, -0.0013995200000000, -0.0002581100000000 ] - [ 0.0002270100000000, -0.0000727000000000, -0.0025202500000000 ] - [ 0.0023800100000000, -0.0005391700000000, 0.0010796100000000 ] - [ 0.0014959000000000, 0.0000000000000000, -0.0017542600000000 ] - [ 0.0002270100000000, 0.0000727000000000, -0.0025202500000000 ] - [ -0.0009383300000000, 0.0000000000000000, 0.0001093500000000 ] - [ 0.0023800100000000, 0.0005391700000000, 0.0010796100000000 ] - [ 0.0000000000000000, 0.0018552000000000, -0.0029096400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028150400000000 ] - [ -0.0023800100000000, 0.0005391700000000, 0.0010796100000000 ] - [ 0.0000000000000000, 0.0011330700000000, 0.0024731200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010690000000000 ] - [ -0.0002270100000000, 0.0000727000000000, -0.0025202500000000 ] - [ -0.0004738200000000, 0.0008859300000000, -0.0020356200000000 ] - [ -0.0002270100000000, -0.0000727000000000, -0.0025202500000000 ] - [ -0.0014959000000000, 0.0000000000000000, -0.0017542600000000 ] - [ 0.0001304400000000, 0.0000000000000000, 0.0009865300000000 ] - [ 0.0009383300000000, 0.0000000000000000, 0.0001093500000000 ] - [ -0.0002063400000000, 0.0001030300000000, -0.0001585500000000 ] - [ 0.0002399600000000, 0.0001594400000000, -0.0001881100000000 ] - [ -0.0006411600000000, 0.0003370200000000, -0.0003267600000000 ] - [ -0.0009005000000000, 0.0000000000000000, -0.0013412100000000 ] - [ 0.0002399600000000, -0.0001594400000000, -0.0001881100000000 ] - [ 0.0002063400000000, 0.0001030300000000, -0.0001585500000000 ] - [ 0.0000000000000000, 0.0000121800000000, 0.0004505800000000 ] - [ 0.0002063400000000, -0.0001030300000000, -0.0001585500000000 ] - [ -0.0006769200000000, 0.0000000000000000, -0.0020733000000000 ] - [ -0.0002399600000000, -0.0001594400000000, -0.0001881100000000 ] - [ 0.0000000000000000, -0.0000567500000000, -0.0004557400000000 ] - [ 0.0006769200000000, 0.0000000000000000, -0.0020733000000000 ] - [ -0.0002063400000000, -0.0001030300000000, -0.0001585500000000 ] - [ -0.0000151700000000, 0.0004265900000000, 0.0008689100000000 ] - [ 0.0006411600000000, 0.0003370200000000, -0.0003267600000000 ] - [ -0.0000937100000000, 0.0000000000000000, 0.0001641000000000 ] - [ -0.0000151700000000, -0.0004265900000000, 0.0008689100000000 ] - [ -0.0003573400000000, 0.0000000000000000, -0.0002747700000000 ] - [ 0.0006411600000000, -0.0003370200000000, -0.0003267600000000 ] - [ 0.0000000000000000, 0.0000567500000000, -0.0004557400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002487000000000 ] - [ -0.0006411600000000, -0.0003370200000000, -0.0003267600000000 ] - [ 0.0000000000000000, -0.0000121800000000, 0.0004505800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002699600000000 ] - [ 0.0000151700000000, -0.0004265900000000, 0.0008689100000000 ] - [ -0.0002399600000000, 0.0001594400000000, -0.0001881100000000 ] - [ 0.0000151700000000, 0.0004265900000000, 0.0008689100000000 ] - [ 0.0000937100000000, 0.0000000000000000, 0.0001641000000000 ] - [ 0.0009005000000000, 0.0000000000000000, -0.0013412100000000 ] - [ 0.0003573400000000, 0.0000000000000000, -0.0002747700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0138767300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013899800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003303500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000807900000000 ] - [ -0.0005185800000000, 0.0001864400000000, 0.0009013500000000 ] - [ 0.0005185800000000, 0.0001864400000000, 0.0009013500000000 ] - [ -0.0005185800000000, -0.0001864400000000, 0.0009013500000000 ] - [ 0.0005185800000000, -0.0001864400000000, 0.0009013500000000 ] - [ -0.0002665200000000, 0.0000011500000000, -0.0005811400000000 ] - [ 0.0002665200000000, 0.0000011500000000, -0.0005811400000000 ] - [ -0.0002665200000000, -0.0000011500000000, -0.0005811400000000 ] - [ 0.0002665200000000, -0.0000011500000000, -0.0005811400000000 ] - [ 0.0014270000000000, 0.0000000000000000, -0.0009738500000000 ] - [ -0.0014270000000000, 0.0000000000000000, -0.0009738500000000 ] - [ 0.0034643900000000, 0.0000000000000000, -0.0007080200000000 ] - [ -0.0034643900000000, 0.0000000000000000, -0.0007080200000000 ] - [ 0.0026491000000000, 0.0038950900000000, -0.0008579300000000 ] - [ -0.0001421900000000, 0.0000000000000000, 0.0004187200000000 ] - [ -0.0026491000000000, 0.0038950900000000, -0.0008579300000000 ] - [ -0.0003795900000000, 0.0000000000000000, 0.0012273800000000 ] - [ 0.0001421900000000, 0.0000000000000000, 0.0004187200000000 ] - [ 0.0044848000000000, 0.0039774400000000, -0.0060505000000000 ] - [ 0.0044848000000000, -0.0039774400000000, -0.0060505000000000 ] - [ 0.0003795900000000, 0.0000000000000000, 0.0012273800000000 ] - [ -0.0044848000000000, 0.0039774400000000, -0.0060505000000000 ] - [ -0.0044848000000000, -0.0039774400000000, -0.0060505000000000 ] - [ 0.0026491000000000, -0.0038950900000000, -0.0008579300000000 ] - [ -0.0026491000000000, -0.0038950900000000, -0.0008579300000000 ] - [ 0.0001224600000000, 0.0001353300000000, 0.0004146800000000 ] - [ 0.0006375400000000, 0.0000000000000000, -0.0051998500000000 ] - [ -0.0001224600000000, 0.0001353300000000, 0.0004146800000000 ] - [ -0.0001585700000000, 0.0000000000000000, -0.0022504700000000 ] - [ -0.0006375400000000, 0.0000000000000000, -0.0051998500000000 ] - [ 0.0005916400000000, 0.0004124300000000, -0.0001641400000000 ] - [ 0.0005916400000000, -0.0004124300000000, -0.0001641400000000 ] - [ 0.0001585700000000, 0.0000000000000000, -0.0022504700000000 ] - [ -0.0005916400000000, 0.0004124300000000, -0.0001641400000000 ] - [ -0.0005916400000000, -0.0004124300000000, -0.0001641400000000 ] - [ 0.0001224600000000, -0.0001353300000000, 0.0004146800000000 ] - [ -0.0001224600000000, -0.0001353300000000, 0.0004146800000000 ] - [ 0.0018905500000000, -0.0017359200000000, 0.0003908700000000 ] - [ -0.0002481600000000, -0.0003387700000000, 0.0010363600000000 ] - [ 0.0018177200000000, 0.0008754100000000, -0.0012312700000000 ] - [ -0.0008890500000000, 0.0000000000000000, -0.0008891800000000 ] - [ -0.0002481600000000, 0.0003387700000000, 0.0010363600000000 ] - [ -0.0018905500000000, -0.0017359200000000, 0.0003908700000000 ] - [ 0.0000000000000000, 0.0012536000000000, -0.0015684700000000 ] - [ -0.0018905500000000, 0.0017359200000000, 0.0003908700000000 ] - [ -0.0000921100000000, 0.0000000000000000, -0.0007033900000000 ] - [ 0.0002481600000000, 0.0003387700000000, 0.0010363600000000 ] - [ 0.0000000000000000, 0.0018135300000000, 0.0019994500000000 ] - [ 0.0000921100000000, 0.0000000000000000, -0.0007033900000000 ] - [ 0.0018905500000000, 0.0017359200000000, 0.0003908700000000 ] - [ -0.0004459800000000, 0.0006218400000000, 0.0035005900000000 ] - [ -0.0018177200000000, 0.0008754100000000, -0.0012312700000000 ] - [ -0.0019240800000000, 0.0000000000000000, 0.0021662400000000 ] - [ -0.0004459800000000, -0.0006218400000000, 0.0035005900000000 ] - [ 0.0005185500000000, 0.0000000000000000, -0.0004805900000000 ] - [ -0.0018177200000000, -0.0008754100000000, -0.0012312700000000 ] - [ 0.0000000000000000, -0.0018135300000000, 0.0019994500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028079800000000 ] - [ 0.0018177200000000, -0.0008754100000000, -0.0012312700000000 ] - [ 0.0000000000000000, -0.0012536000000000, -0.0015684700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010842200000000 ] - [ 0.0004459800000000, -0.0006218400000000, 0.0035005900000000 ] - [ 0.0002481600000000, -0.0003387700000000, 0.0010363600000000 ] - [ 0.0004459800000000, 0.0006218400000000, 0.0035005900000000 ] - [ 0.0019240800000000, 0.0000000000000000, 0.0021662400000000 ] - [ 0.0008890500000000, 0.0000000000000000, -0.0008891800000000 ] - [ -0.0005185500000000, 0.0000000000000000, -0.0004805900000000 ] - [ 0.0007494700000000, -0.0004479000000000, 0.0002855200000000 ] - [ -0.0000146200000000, 0.0003860900000000, -0.0007944300000000 ] - [ 0.0000935100000000, 0.0000091900000000, 0.0001964400000000 ] - [ -0.0001238800000000, 0.0000000000000000, 0.0014296700000000 ] - [ -0.0000146200000000, -0.0003860900000000, -0.0007944300000000 ] - [ -0.0007494700000000, -0.0004479000000000, 0.0002855200000000 ] - [ 0.0000000000000000, 0.0000295400000000, 0.0004865000000000 ] - [ -0.0007494700000000, 0.0004479000000000, 0.0002855200000000 ] - [ -0.0003340600000000, 0.0000000000000000, 0.0019728900000000 ] - [ 0.0000146200000000, -0.0003860900000000, -0.0007944300000000 ] - [ 0.0000000000000000, 0.0000148000000000, -0.0004810600000000 ] - [ 0.0003340600000000, 0.0000000000000000, 0.0019728900000000 ] - [ 0.0007494700000000, 0.0004479000000000, 0.0002855200000000 ] - [ -0.0002089100000000, 0.0001209100000000, 0.0001173500000000 ] - [ -0.0000935100000000, 0.0000091900000000, 0.0001964400000000 ] - [ -0.0003205300000000, 0.0000000000000000, 0.0002050600000000 ] - [ -0.0002089100000000, -0.0001209100000000, 0.0001173500000000 ] - [ -0.0000587800000000, 0.0000000000000000, -0.0000944500000000 ] - [ -0.0000935100000000, -0.0000091900000000, 0.0001964400000000 ] - [ 0.0000000000000000, -0.0000148000000000, -0.0004810600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002685000000000 ] - [ 0.0000935100000000, -0.0000091900000000, 0.0001964400000000 ] - [ 0.0000000000000000, -0.0000295400000000, 0.0004865000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002474200000000 ] - [ 0.0002089100000000, -0.0001209100000000, 0.0001173500000000 ] - [ 0.0000146200000000, 0.0003860900000000, -0.0007944300000000 ] - [ 0.0002089100000000, 0.0001209100000000, 0.0001173500000000 ] - [ 0.0003205300000000, 0.0000000000000000, 0.0002050600000000 ] - [ 0.0001238800000000, 0.0000000000000000, 0.0014296700000000 ] - [ 0.0000587800000000, 0.0000000000000000, -0.0000944500000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012781900000000, -0.0008295000000000, 0.0001476800000000 ] - [ 0.0012781900000000, 0.0008295000000000, -0.0001476800000000 ] - [ 0.0001706000000000, -0.0001555700000000, -0.0001025200000000 ] - [ 0.0001706000000000, 0.0001555700000000, 0.0001025200000000 ] - [ -0.0340955200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0009791600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0019705900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008726400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002637600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006073400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003287200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0009596300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0021013300000000, 0.0000172100000000, 0.0001602800000000 ] - [ -0.0077946900000000, 0.0018570000000000, 0.0002517900000000 ] - [ -0.0077946900000000, -0.0018570000000000, -0.0002517900000000 ] - [ 0.0021013300000000, -0.0000172100000000, -0.0001602800000000 ] - [ -0.0000982600000000, 0.0028247800000000, 0.0012923100000000 ] - [ 0.0023453900000000, -0.0003153700000000, -0.0006016300000000 ] - [ 0.0016111300000000, 0.0005253700000000, 0.0005998600000000 ] - [ 0.0023453900000000, 0.0003153700000000, 0.0006016300000000 ] - [ 0.0055553500000000, -0.0109832600000000, 0.0002656700000000 ] - [ 0.0027798600000000, 0.0001220800000000, -0.0007954000000000 ] - [ 0.0016111300000000, -0.0005253700000000, -0.0005998600000000 ] - [ 0.0055553500000000, 0.0109832600000000, -0.0002656700000000 ] - [ 0.0043048600000000, -0.0020780700000000, -0.0067680900000000 ] - [ -0.0000982600000000, -0.0028247800000000, -0.0012923100000000 ] - [ 0.0043048600000000, 0.0020780700000000, 0.0067680900000000 ] - [ 0.0027798600000000, -0.0001220800000000, 0.0007954000000000 ] - [ 0.0016782600000000, 0.0001576500000000, 0.0008514100000000 ] - [ -0.0006043500000000, -0.0007132200000000, -0.0015151000000000 ] - [ 0.0002407000000000, -0.0004758000000000, 0.0076431500000000 ] - [ -0.0006043500000000, 0.0007132200000000, 0.0015151000000000 ] - [ 0.0014529900000000, -0.0001954300000000, -0.0007241200000000 ] - [ -0.0001838300000000, -0.0012258000000000, -0.0021046600000000 ] - [ 0.0002407000000000, 0.0004758000000000, -0.0076431500000000 ] - [ 0.0014529900000000, 0.0001954300000000, 0.0007241200000000 ] - [ 0.0008197900000000, -0.0001416900000000, -0.0008128100000000 ] - [ 0.0016782600000000, -0.0001576500000000, -0.0008514100000000 ] - [ 0.0008197900000000, 0.0001416900000000, 0.0008128100000000 ] - [ -0.0001838300000000, 0.0012258000000000, 0.0021046600000000 ] - [ 0.0082685300000000, -0.0004910600000000, -0.0033209200000000 ] - [ 0.0002550500000000, -0.0002083300000000, -0.0012781700000000 ] - [ -0.0015263000000000, 0.0006369500000000, -0.0001510100000000 ] - [ 0.0046408800000000, -0.0009239000000000, 0.0026547400000000 ] - [ -0.0000936100000000, -0.0012255300000000, -0.0024952900000000 ] - [ -0.0015263000000000, -0.0006369500000000, 0.0001510100000000 ] - [ -0.0009370200000000, -0.0003566000000000, 0.0002109600000000 ] - [ -0.0012237400000000, 0.0005358500000000, 0.0001325300000000 ] - [ 0.0046408800000000, 0.0009239000000000, -0.0026547400000000 ] - [ -0.0007281700000000, -0.0003833800000000, -0.0008968200000000 ] - [ -0.0009370200000000, 0.0003566000000000, -0.0002109600000000 ] - [ -0.0006948400000000, 0.0000385400000000, -0.0006339200000000 ] - [ 0.0015760500000000, 0.0006748200000000, 0.0003047300000000 ] - [ -0.0007281700000000, 0.0003833800000000, 0.0008968200000000 ] - [ 0.0082685300000000, 0.0004910600000000, 0.0033209200000000 ] - [ -0.0009304500000000, 0.0002898500000000, 0.0002222000000000 ] - [ -0.0005352800000000, -0.0001900700000000, 0.0006584800000000 ] - [ -0.0009304500000000, -0.0002898500000000, -0.0002222000000000 ] - [ 0.0015760500000000, -0.0006748200000000, -0.0003047300000000 ] - [ -0.0024870700000000, 0.0003447800000000, 0.0002040300000000 ] - [ -0.0005713300000000, 0.0001675500000000, 0.0001055400000000 ] - [ -0.0012237400000000, -0.0005358500000000, -0.0001325300000000 ] - [ -0.0024870700000000, -0.0003447800000000, -0.0002040300000000 ] - [ -0.0005713300000000, -0.0001675500000000, -0.0001055400000000 ] - [ 0.0002550500000000, 0.0002083300000000, 0.0012781700000000 ] - [ -0.0005352800000000, 0.0001900700000000, -0.0006584800000000 ] - [ -0.0000936100000000, 0.0012255300000000, 0.0024952900000000 ] - [ -0.0004884300000000, 0.0029234100000000, 0.0018381400000000 ] - [ -0.0006948400000000, -0.0000385400000000, 0.0006339200000000 ] - [ -0.0004884300000000, -0.0029234100000000, -0.0018381400000000 ] - [ -0.0005066800000000, 0.0002005600000000, 0.0001335000000000 ] - [ -0.0007413500000000, 0.0003032100000000, -0.0007234300000000 ] - [ 0.0010032000000000, -0.0006882100000000, -0.0003380500000000 ] - [ -0.0013233100000000, -0.0000383100000000, -0.0004019200000000 ] - [ -0.0005108300000000, -0.0005251900000000, -0.0008282900000000 ] - [ 0.0010032000000000, 0.0006882100000000, 0.0003380500000000 ] - [ -0.0013779900000000, 0.0003013300000000, -0.0006379100000000 ] - [ 0.0016272500000000, -0.0010114200000000, 0.0014020700000000 ] - [ -0.0013233100000000, 0.0000383100000000, 0.0004019200000000 ] - [ 0.0000421100000000, -0.0019606100000000, -0.0016417400000000 ] - [ -0.0013779900000000, -0.0003013300000000, 0.0006379100000000 ] - [ 0.0016908500000000, 0.0003040800000000, 0.0004378000000000 ] - [ -0.0007302400000000, -0.0002756800000000, 0.0001286600000000 ] - [ 0.0000421100000000, 0.0019606100000000, 0.0016417400000000 ] - [ -0.0005066800000000, -0.0002005600000000, -0.0001335000000000 ] - [ 0.0003145500000000, 0.0010932700000000, 0.0017688100000000 ] - [ 0.0007330800000000, 0.0004838800000000, 0.0030047200000000 ] - [ 0.0003145500000000, -0.0010932700000000, -0.0017688100000000 ] - [ -0.0007302400000000, 0.0002756800000000, -0.0001286600000000 ] - [ -0.0004827300000000, 0.0002375700000000, -0.0001837300000000 ] - [ -0.0020264700000000, 0.0007779300000000, -0.0002821700000000 ] - [ 0.0016272500000000, 0.0010114200000000, -0.0014020700000000 ] - [ -0.0004827300000000, -0.0002375700000000, 0.0001837300000000 ] - [ -0.0020264700000000, -0.0007779300000000, 0.0002821700000000 ] - [ -0.0007413500000000, -0.0003032100000000, 0.0007234300000000 ] - [ 0.0007330800000000, -0.0004838800000000, -0.0030047200000000 ] - [ -0.0005108300000000, 0.0005251900000000, 0.0008282900000000 ] - [ -0.0002986200000000, 0.0001936200000000, 0.0003853600000000 ] - [ 0.0016908500000000, -0.0003040800000000, -0.0004378000000000 ] - [ -0.0002986200000000, -0.0001936200000000, -0.0003853600000000 ]- atom: 5 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012846500000000, 0.0008363600000000, -0.0004023800000000 ] - [ -0.0012846500000000, -0.0008363600000000, 0.0004023800000000 ] - [ -0.0001717100000000, 0.0001551800000000, -0.0001479800000000 ] - [ -0.0001717100000000, -0.0001551800000000, 0.0001479800000000 ] - [ 0.0335688600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004921000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0014887700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003877600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007491400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0010929300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0008137300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0014443100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0021023400000000, -0.0000183400000000, -0.0001584900000000 ] - [ 0.0077970500000000, -0.0018291100000000, -0.0002869100000000 ] - [ 0.0077970500000000, 0.0018291100000000, 0.0002869100000000 ] - [ -0.0021023400000000, 0.0000183400000000, 0.0001584900000000 ] - [ -0.0003600600000000, -0.0024132400000000, -0.0005671200000000 ] - [ -0.0029754100000000, 0.0003136700000000, -0.0002210500000000 ] - [ -0.0011495400000000, -0.0001063000000000, 0.0001272000000000 ] - [ -0.0029754100000000, -0.0003136700000000, 0.0002210500000000 ] - [ -0.0049074700000000, 0.0108639200000000, -0.0010932700000000 ] - [ -0.0023220800000000, 0.0002987600000000, 0.0000690300000000 ] - [ -0.0011495400000000, 0.0001063000000000, -0.0001272000000000 ] - [ -0.0049074700000000, -0.0108639200000000, 0.0010932700000000 ] - [ -0.0047618500000000, 0.0024768900000000, 0.0061011700000000 ] - [ -0.0003600600000000, 0.0024132400000000, 0.0005671200000000 ] - [ -0.0047618500000000, -0.0024768900000000, -0.0061011700000000 ] - [ -0.0023220800000000, -0.0002987600000000, -0.0000690300000000 ] - [ -0.0021402500000000, 0.0002623000000000, -0.0001210200000000 ] - [ -0.0000237400000000, 0.0007102300000000, 0.0006963100000000 ] - [ 0.0002170800000000, 0.0008979700000000, -0.0068979700000000 ] - [ -0.0000237400000000, -0.0007102300000000, -0.0006963100000000 ] - [ -0.0008170300000000, 0.0001959300000000, -0.0000957100000000 ] - [ 0.0006419200000000, 0.0016416100000000, 0.0013787500000000 ] - [ 0.0002170800000000, -0.0008979700000000, 0.0068979700000000 ] - [ -0.0008170300000000, -0.0001959300000000, 0.0000957100000000 ] - [ -0.0012842700000000, 0.0005605400000000, 0.0000833000000000 ] - [ -0.0021402500000000, -0.0002623000000000, 0.0001210200000000 ] - [ -0.0012842700000000, -0.0005605400000000, -0.0000833000000000 ] - [ 0.0006419200000000, -0.0016416100000000, -0.0013787500000000 ] - [ -0.0079163800000000, 0.0000820700000000, 0.0037420400000000 ] - [ -0.0000300900000000, 0.0007532000000000, 0.0002983700000000 ] - [ 0.0009838800000000, -0.0002930200000000, 0.0000201400000000 ] - [ -0.0056222100000000, 0.0009706500000000, -0.0025707900000000 ] - [ 0.0003168400000000, 0.0006741800000000, 0.0015073600000000 ] - [ 0.0009838800000000, 0.0002930200000000, -0.0000201400000000 ] - [ 0.0009356600000000, 0.0004059400000000, 0.0007176900000000 ] - [ 0.0006805100000000, -0.0001916100000000, -0.0000038600000000 ] - [ -0.0056222100000000, -0.0009706500000000, 0.0025707900000000 ] - [ 0.0005023500000000, -0.0001603600000000, -0.0000867600000000 ] - [ 0.0009356600000000, -0.0004059400000000, -0.0007176900000000 ] - [ 0.0017237000000000, -0.0000382800000000, 0.0005441900000000 ] - [ -0.0010369200000000, -0.0003342400000000, -0.0001765100000000 ] - [ 0.0005023500000000, 0.0001603600000000, 0.0000867600000000 ] - [ -0.0079163800000000, -0.0000820700000000, -0.0037420400000000 ] - [ 0.0005216800000000, -0.0002908700000000, 0.0001504900000000 ] - [ 0.0003089700000000, -0.0003539400000000, 0.0003251500000000 ] - [ 0.0005216800000000, 0.0002908700000000, -0.0001504900000000 ] - [ -0.0010369200000000, 0.0003342400000000, 0.0001765100000000 ] - [ 0.0024837800000000, -0.0002934900000000, -0.0011410200000000 ] - [ 0.0005679500000000, -0.0001673100000000, -0.0001185400000000 ] - [ 0.0006805100000000, 0.0001916100000000, 0.0000038600000000 ] - [ 0.0024837800000000, 0.0002934900000000, 0.0011410200000000 ] - [ 0.0005679500000000, 0.0001673100000000, 0.0001185400000000 ] - [ -0.0000300900000000, -0.0007532000000000, -0.0002983700000000 ] - [ 0.0003089700000000, 0.0003539400000000, -0.0003251500000000 ] - [ 0.0003168400000000, -0.0006741800000000, -0.0015073600000000 ] - [ 0.0008925900000000, -0.0029343800000000, -0.0014752200000000 ] - [ 0.0017237000000000, 0.0000382800000000, -0.0005441900000000 ] - [ 0.0008925900000000, 0.0029343800000000, 0.0014752200000000 ] - [ 0.0010512000000000, -0.0005451400000000, -0.0000016400000000 ] - [ 0.0009668500000000, 0.0002407200000000, -0.0002615400000000 ] - [ -0.0015448100000000, 0.0010295500000000, 0.0002085100000000 ] - [ 0.0002936100000000, 0.0000383000000000, 0.0004910500000000 ] - [ 0.0007370100000000, -0.0000199200000000, -0.0001590100000000 ] - [ -0.0015448100000000, -0.0010295500000000, -0.0002085100000000 ] - [ 0.0013793800000000, -0.0002527000000000, 0.0015630300000000 ] - [ -0.0021638600000000, 0.0013522000000000, -0.0012719700000000 ] - [ 0.0002936100000000, -0.0000383000000000, -0.0004910500000000 ] - [ -0.0002637900000000, 0.0014100300000000, 0.0006606000000000 ] - [ 0.0013793800000000, 0.0002527000000000, -0.0015630300000000 ] - [ -0.0006638500000000, -0.0003024100000000, -0.0005320600000000 ] - [ 0.0012740000000000, 0.0006196200000000, 0.0000011300000000 ] - [ -0.0002637900000000, -0.0014100300000000, -0.0006606000000000 ] - [ 0.0010512000000000, 0.0005451400000000, 0.0000016400000000 ] - [ -0.0007224200000000, -0.0010889500000000, -0.0013915200000000 ] - [ -0.0008112300000000, -0.0010918100000000, -0.0021063200000000 ] - [ -0.0007224200000000, 0.0010889500000000, 0.0013915200000000 ] - [ 0.0012740000000000, -0.0006196200000000, -0.0000011300000000 ] - [ 0.0004858200000000, -0.0001877000000000, -0.0007448600000000 ] - [ 0.0020292800000000, -0.0007719700000000, 0.0002693500000000 ] - [ -0.0021638600000000, -0.0013522000000000, 0.0012719700000000 ] - [ 0.0004858200000000, 0.0001877000000000, 0.0007448600000000 ] - [ 0.0020292800000000, 0.0007719700000000, -0.0002693500000000 ] - [ 0.0009668500000000, -0.0002407200000000, 0.0002615400000000 ] - [ -0.0008112300000000, 0.0010918100000000, 0.0021063200000000 ] - [ 0.0007370100000000, 0.0000199200000000, 0.0001590100000000 ] - [ 0.0007088100000000, -0.0001928100000000, -0.0000119800000000 ] - [ -0.0006638500000000, 0.0003024100000000, 0.0005320600000000 ] - [ 0.0007088100000000, 0.0001928100000000, 0.0000119800000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007636700000000, 0.0001665600000000, -0.0003122200000000 ] - [ 0.0007612900000000, 0.0001709900000000, -0.0000596700000000 ] - [ -0.0001262600000000, -0.0000190100000000, -0.0001256700000000 ] - [ 0.0001261600000000, -0.0000201800000000, 0.0001251800000000 ] - [ -0.0005341200000000, -0.0269858200000000, 0.0107759200000000 ] - [ 0.0002424400000000, -0.0001223700000000, -0.0000435300000000 ] - [ -0.0002382000000000, 0.0036498200000000, 0.0002203600000000 ] - [ 0.0002421600000000, 0.0001119500000000, -0.0000379400000000 ] - [ -0.0002425200000000, 0.0000309300000000, 0.0000383700000000 ] - [ 0.0002428800000000, 0.0003250900000000, -0.0000737700000000 ] - [ -0.0002424300000000, -0.0000292100000000, 0.0000420700000000 ] - [ 0.0002428100000000, -0.0003170100000000, -0.0001229500000000 ] - [ -0.0000192900000000, -0.0000067600000000, -0.0001963200000000 ] - [ 0.0016831100000000, 0.0031275000000000, -0.0093882700000000 ] - [ -0.0016849800000000, 0.0031155200000000, -0.0094511600000000 ] - [ 0.0000181900000000, -0.0000075300000000, -0.0001965900000000 ] - [ -0.0001835300000000, 0.0036620000000000, 0.0009532700000000 ] - [ -0.0018367300000000, 0.0000717800000000, -0.0000005300000000 ] - [ 0.0005004100000000, 0.0002838300000000, 0.0004067100000000 ] - [ 0.0012026000000000, 0.0000699900000000, 0.0008215800000000 ] - [ -0.0110717900000000, 0.0059420200000000, 0.0039303200000000 ] - [ 0.0001813600000000, 0.0000638100000000, -0.0003668700000000 ] - [ -0.0000449300000000, -0.0001370300000000, -0.0003208100000000 ] - [ 0.0118026000000000, 0.0059697500000000, 0.0047602800000000 ] - [ -0.0013186400000000, -0.0044048200000000, 0.0016115100000000 ] - [ -0.0002883700000000, 0.0032484000000000, 0.0002354600000000 ] - [ 0.0008781300000000, -0.0047704300000000, 0.0023554300000000 ] - [ 0.0002829800000000, -0.0003537700000000, 0.0003620900000000 ] - [ 0.0002445200000000, 0.0000619400000000, 0.0005521600000000 ] - [ -0.0008581700000000, -0.0001804000000000, -0.0005341400000000 ] - [ 0.0002635000000000, -0.0019596900000000, 0.0039751900000000 ] - [ 0.0002241300000000, -0.0001734000000000, 0.0002848100000000 ] - [ 0.0001787700000000, -0.0000267400000000, -0.0003973000000000 ] - [ 0.0003824600000000, 0.0021406500000000, 0.0010467700000000 ] - [ 0.0001908700000000, -0.0023735500000000, 0.0032646500000000 ] - [ 0.0004543800000000, -0.0000250200000000, 0.0004240900000000 ] - [ -0.0004020100000000, 0.0004525400000000, -0.0001782000000000 ] - [ -0.0007084700000000, -0.0003564400000000, -0.0001757900000000 ] - [ -0.0000582600000000, 0.0000323700000000, 0.0005499400000000 ] - [ 0.0000822200000000, 0.0017186500000000, 0.0017820100000000 ] - [ 0.0010171800000000, 0.0044274100000000, -0.0017805500000000 ] - [ 0.0001029200000000, -0.0002742700000000, -0.0007372200000000 ] - [ -0.0002652700000000, 0.0002645800000000, -0.0000243700000000 ] - [ -0.0011609400000000, 0.0016765700000000, 0.0012105000000000 ] - [ 0.0002296500000000, 0.0006565700000000, -0.0001748700000000 ] - [ -0.0002771700000000, -0.0000782200000000, 0.0001073700000000 ] - [ -0.0002853500000000, -0.0005959800000000, 0.0004657100000000 ] - [ -0.0002102400000000, 0.0000564100000000, 0.0001093800000000 ] - [ 0.0002909700000000, 0.0013536400000000, 0.0012052500000000 ] - [ -0.0001305400000000, -0.0002231300000000, -0.0004705800000000 ] - [ 0.0002928600000000, -0.0006451400000000, -0.0004632700000000 ] - [ 0.0009633200000000, -0.0000033800000000, 0.0001732500000000 ] - [ -0.0006354300000000, -0.0019917100000000, 0.0003951700000000 ] - [ -0.0000956100000000, 0.0003213200000000, 0.0005155600000000 ] - [ -0.0004688000000000, 0.0047597200000000, -0.0019191700000000 ] - [ -0.0001995500000000, 0.0000614300000000, 0.0001395500000000 ] - [ -0.0000591200000000, -0.0002925600000000, 0.0004699500000000 ] - [ -0.0002096100000000, 0.0000594200000000, -0.0002334100000000 ] - [ 0.0011820400000000, -0.0023344500000000, 0.0002756900000000 ] - [ -0.0002648000000000, 0.0007649600000000, -0.0004874600000000 ] - [ 0.0002017600000000, 0.0000275800000000, 0.0000413400000000 ] - [ -0.0003300100000000, -0.0002854500000000, -0.0000198600000000 ] - [ 0.0002577400000000, 0.0007094000000000, 0.0004413900000000 ] - [ -0.0002011000000000, 0.0000262600000000, 0.0000561500000000 ] - [ 0.0001241800000000, -0.0008154100000000, 0.0002393800000000 ] - [ -0.0001654200000000, 0.0002501400000000, -0.0005131500000000 ] - [ -0.0000057800000000, 0.0012102900000000, 0.0008148100000000 ] - [ 0.0019907300000000, -0.0007215100000000, -0.0019144800000000 ] - [ 0.0000659500000000, -0.0000029400000000, 0.0002626100000000 ] - [ -0.0015656500000000, -0.0007334400000000, -0.0022718800000000 ] - [ 0.0003440400000000, -0.0003234600000000, 0.0000246400000000 ] - [ -0.0002315200000000, 0.0005102100000000, -0.0007256300000000 ] - [ 0.0002963800000000, -0.0011812900000000, 0.0002732200000000 ] - [ -0.0005574800000000, 0.0000018300000000, 0.0000177900000000 ] - [ -0.0001489600000000, -0.0005660100000000, -0.0007664300000000 ] - [ -0.0008396900000000, -0.0015231200000000, 0.0004063400000000 ] - [ -0.0005180100000000, 0.0004179100000000, -0.0002455700000000 ] - [ -0.0010586800000000, 0.0018157700000000, 0.0002719400000000 ] - [ -0.0004711700000000, 0.0000024400000000, -0.0000718300000000 ] - [ -0.0007847500000000, -0.0024612500000000, -0.0026521000000000 ] - [ 0.0005211400000000, 0.0003698200000000, -0.0011749100000000 ] - [ 0.0011067200000000, -0.0000102400000000, 0.0009473700000000 ] - [ 0.0004174600000000, 0.0003486900000000, 0.0000193200000000 ] - [ 0.0005510200000000, -0.0019183700000000, -0.0016619900000000 ] - [ 0.0001982200000000, 0.0000192900000000, -0.0001068900000000 ] - [ -0.0001266300000000, -0.0003525800000000, -0.0006318500000000 ] - [ 0.0011137400000000, 0.0022574900000000, -0.0023023800000000 ] - [ -0.0002852100000000, -0.0003467900000000, -0.0010028400000000 ] - [ 0.0001253100000000, 0.0000059700000000, -0.0001101700000000 ] - [ 0.0001677200000000, -0.0003087700000000, -0.0007513700000000 ] - [ 0.0027706000000000, -0.0001395900000000, -0.0003117000000000 ] - [ 0.0005182200000000, 0.0014678100000000, 0.0001475700000000 ] - [ -0.0001695900000000, -0.0003570400000000, 0.0001769300000000 ] - [ -0.0027747700000000, -0.0001377500000000, -0.0002998800000000 ] - [ 0.0004583900000000, -0.0000340400000000, 0.0002584200000000 ] - [ -0.0013253800000000, 0.0028276200000000, -0.0032858400000000 ] - [ 0.0003745400000000, -0.0000228700000000, 0.0002193900000000 ] - [ 0.0002812400000000, -0.0000618500000000, 0.0001129300000000 ] - [ -0.0000764600000000, -0.0000138500000000, 0.0010357100000000 ] - [ 0.0001290500000000, -0.0000609700000000, -0.0002594000000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004905100000000, -0.0002898800000000, -0.0010305300000000 ] - [ -0.0004874300000000, -0.0002877800000000, -0.0007792200000000 ] - [ 0.0002230400000000, -0.0001238000000000, 0.0004564300000000 ] - [ -0.0002201100000000, -0.0001221600000000, 0.0007084800000000 ] - [ 0.0001217700000000, 0.0107782500000000, -0.0388821900000000 ] - [ 0.0002424100000000, -0.0000432600000000, -0.0002626300000000 ] - [ -0.0002415100000000, -0.0002177900000000, -0.0012487400000000 ] - [ 0.0002425200000000, 0.0000376600000000, -0.0002028600000000 ] - [ -0.0002423900000000, 0.0000382700000000, 0.0001866100000000 ] - [ 0.0002421600000000, -0.0000735400000000, 0.0007940400000000 ] - [ -0.0002422000000000, -0.0000419700000000, 0.0002363100000000 ] - [ 0.0002396500000000, 0.0001228900000000, 0.0017066200000000 ] - [ -0.0000767800000000, -0.0001275900000000, 0.0000412500000000 ] - [ 0.0005591800000000, -0.0087690300000000, 0.0069064000000000 ] - [ -0.0005751400000000, -0.0086780900000000, 0.0068732200000000 ] - [ 0.0000774900000000, -0.0001277600000000, 0.0000430100000000 ] - [ 0.0010674500000000, 0.0019007800000000, 0.0016329600000000 ] - [ -0.0006157900000000, 0.0001784000000000, -0.0011547700000000 ] - [ 0.0009690300000000, 0.0003073700000000, 0.0006451200000000 ] - [ -0.0000207500000000, 0.0001786800000000, -0.0003364000000000 ] - [ 0.0006200200000000, 0.0041270700000000, -0.0089157900000000 ] - [ -0.0013877900000000, 0.0003996300000000, 0.0000529900000000 ] - [ -0.0005083000000000, -0.0001120300000000, -0.0000852000000000 ] - [ -0.0000301000000000, 0.0040930500000000, -0.0081244900000000 ] - [ -0.0075731800000000, 0.0036363400000000, 0.0046606800000000 ] - [ -0.0015300900000000, 0.0014869900000000, 0.0009034600000000 ] - [ 0.0070675100000000, 0.0032463500000000, 0.0053763600000000 ] - [ 0.0018523200000000, -0.0000185400000000, 0.0007841200000000 ] - [ 0.0010515600000000, 0.0003360000000000, 0.0002154300000000 ] - [ 0.0002257100000000, 0.0006888900000000, 0.0027809500000000 ] - [ 0.0043305000000000, 0.0016876200000000, 0.0052237400000000 ] - [ -0.0008631000000000, 0.0006880400000000, 0.0036019700000000 ] - [ 0.0001947700000000, 0.0001215000000000, 0.0003575000000000 ] - [ -0.0008359600000000, 0.0010267000000000, -0.0004468500000000 ] - [ -0.0038156200000000, 0.0012397100000000, 0.0045001500000000 ] - [ 0.0004375900000000, 0.0001220400000000, 0.0011787400000000 ] - [ -0.0007382400000000, 0.0003447300000000, -0.0005154200000000 ] - [ -0.0015095300000000, -0.0000827700000000, -0.0005107100000000 ] - [ 0.0002778600000000, -0.0000737500000000, 0.0002110400000000 ] - [ 0.0013015100000000, 0.0006131500000000, 0.0002714500000000 ] - [ -0.0046604200000000, -0.0014194400000000, 0.0085418400000000 ] - [ 0.0000258600000000, 0.0001995800000000, -0.0019430700000000 ] - [ -0.0007486800000000, 0.0003860600000000, 0.0000149900000000 ] - [ 0.0011447400000000, 0.0002500300000000, 0.0055143000000000 ] - [ -0.0004950900000000, -0.0016249000000000, -0.0032876700000000 ] - [ 0.0002067000000000, 0.0000445800000000, 0.0001477100000000 ] - [ -0.0011397100000000, -0.0003284200000000, 0.0004056900000000 ] - [ -0.0000084000000000, 0.0000496300000000, 0.0001254000000000 ] - [ -0.0021662600000000, 0.0002191900000000, 0.0054501600000000 ] - [ -0.0003806000000000, -0.0004464400000000, -0.0010631100000000 ] - [ 0.0011419600000000, -0.0003815400000000, -0.0005182000000000 ] - [ 0.0006710500000000, 0.0000050800000000, 0.0003312700000000 ] - [ 0.0007746000000000, 0.0007278200000000, 0.0003040400000000 ] - [ 0.0001545300000000, 0.0000977800000000, -0.0000770800000000 ] - [ 0.0048116400000000, -0.0009566800000000, 0.0079735900000000 ] - [ 0.0001896000000000, -0.0002588100000000, 0.0002589200000000 ] - [ 0.0000064000000000, -0.0002376100000000, 0.0001165600000000 ] - [ -0.0005962200000000, -0.0002593200000000, -0.0001160900000000 ] - [ -0.0002326600000000, 0.0003862300000000, 0.0001690800000000 ] - [ 0.0029814300000000, -0.0005005000000000, -0.0005562200000000 ] - [ 0.0000701000000000, -0.0000993600000000, -0.0007399700000000 ] - [ -0.0005327300000000, -0.0002915300000000, -0.0000050000000000 ] - [ -0.0029832400000000, -0.0005563200000000, 0.0003700000000000 ] - [ -0.0000680900000000, -0.0000992600000000, -0.0007314100000000 ] - [ 0.0002013000000000, -0.0003450500000000, -0.0009584400000000 ] - [ -0.0002320600000000, 0.0003053600000000, -0.0008682100000000 ] - [ 0.0007250000000000, -0.0010757000000000, -0.0022964200000000 ] - [ 0.0019291400000000, -0.0027398700000000, -0.0004450700000000 ] - [ 0.0003597300000000, 0.0000051200000000, 0.0004200600000000 ] - [ -0.0015152100000000, -0.0027316000000000, -0.0008244700000000 ] - [ 0.0004152200000000, -0.0002566800000000, -0.0000058400000000 ] - [ -0.0001866400000000, 0.0001136800000000, -0.0000632500000000 ] - [ -0.0009323900000000, 0.0008657800000000, -0.0006621400000000 ] - [ -0.0006553800000000, -0.0000014500000000, -0.0003565200000000 ] - [ 0.0000177400000000, -0.0002658500000000, -0.0001926600000000 ] - [ 0.0003893000000000, 0.0005221900000000, -0.0005329100000000 ] - [ -0.0017451200000000, 0.0000434200000000, -0.0001836700000000 ] - [ 0.0010130700000000, 0.0004322200000000, -0.0025486800000000 ] - [ -0.0003750200000000, -0.0000010900000000, -0.0004452300000000 ] - [ -0.0000573500000000, -0.0007616500000000, 0.0009852900000000 ] - [ 0.0017387600000000, -0.0000050400000000, -0.0011132200000000 ] - [ -0.0004555900000000, 0.0001896100000000, -0.0024705300000000 ] - [ 0.0005915400000000, 0.0003371500000000, -0.0000290500000000 ] - [ -0.0001678500000000, -0.0002178900000000, 0.0019613700000000 ] - [ 0.0001253600000000, 0.0000848000000000, -0.0001371300000000 ] - [ 0.0002396400000000, -0.0011337300000000, -0.0006817300000000 ] - [ 0.0013452900000000, -0.0022998100000000, 0.0029560100000000 ] - [ -0.0006525900000000, -0.0011404100000000, -0.0010500700000000 ] - [ -0.0000521500000000, -0.0000031700000000, -0.0001586300000000 ] - [ 0.0007173700000000, -0.0001212200000000, -0.0004826800000000 ] - [ -0.0001004800000000, -0.0003891000000000, 0.0013227300000000 ] - [ -0.0015700300000000, 0.0000953300000000, -0.0026955600000000 ] - [ -0.0007198400000000, -0.0001741700000000, 0.0004448100000000 ] - [ 0.0001071200000000, -0.0003896600000000, 0.0013333800000000 ] - [ 0.0004129700000000, -0.0004291700000000, 0.0009177900000000 ] - [ -0.0015037000000000, -0.0017319900000000, 0.0020517000000000 ] - [ 0.0002088000000000, 0.0002769600000000, 0.0007912500000000 ] - [ 0.0004618800000000, -0.0001814700000000, 0.0001169600000000 ] - [ 0.0014909900000000, 0.0001902500000000, -0.0023824900000000 ] - [ -0.0000558700000000, -0.0001823200000000, -0.0002557200000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0009372800000000, 0.0000000000000000, -0.0015564300000000 ] - [ 0.0055665400000000, 0.0000000000000000, -0.0033571300000000 ] - [ 0.0055334700000000, 0.0000000000000000, -0.0035724600000000 ] - [ 0.0009425300000000, 0.0000000000000000, -0.0013052400000000 ] - [ 0.0018597500000000, -0.0000184000000000, -0.0000778500000000 ] - [ -0.0075513400000000, -0.0016991200000000, -0.0005530500000000 ] - [ 0.0018597500000000, 0.0000184000000000, -0.0000778500000000 ] - [ -0.0075513400000000, 0.0016991200000000, -0.0005530500000000 ] - [ -0.0080391800000000, -0.0016710600000000, -0.0005819000000000 ] - [ 0.0023451600000000, -0.0000186800000000, -0.0000761400000000 ] - [ -0.0080391800000000, 0.0016710600000000, -0.0005819000000000 ] - [ 0.0023451600000000, 0.0000186800000000, -0.0000761400000000 ] - [ -0.1434784000000000, 0.0000000000000000, -0.0093346100000000 ] - [ 0.0088492500000000, 0.0000000000000000, 0.0000380600000000 ] - [ 0.0060220200000000, 0.0000000000000000, 0.0007228000000000 ] - [ -0.0096464800000000, 0.0000000000000000, 0.0008994700000000 ] - [ 0.0032278700000000, -0.0006294900000000, 0.0009828500000000 ] - [ 0.0125455000000000, 0.0000000000000000, 0.0177285100000000 ] - [ -0.0013370500000000, -0.0017572100000000, 0.0031991500000000 ] - [ -0.0024824600000000, 0.0000000000000000, 0.0094125700000000 ] - [ 0.0078538800000000, 0.0000000000000000, 0.0011637400000000 ] - [ 0.0123126400000000, 0.0172158300000000, 0.0044293500000000 ] - [ 0.0123126400000000, -0.0172158300000000, 0.0044293500000000 ] - [ 0.0049700900000000, 0.0000000000000000, 0.0022874100000000 ] - [ 0.0081074500000000, 0.0000910700000000, 0.0005799800000000 ] - [ 0.0081074500000000, -0.0000910700000000, 0.0005799800000000 ] - [ 0.0032278700000000, 0.0006294900000000, 0.0009828500000000 ] - [ -0.0013370500000000, 0.0017572100000000, 0.0031991500000000 ] - [ 0.0118751400000000, -0.0166967800000000, 0.0051850200000000 ] - [ 0.0043343900000000, 0.0000000000000000, 0.0014771700000000 ] - [ 0.0085622900000000, 0.0003322300000000, 0.0013062300000000 ] - [ 0.0072290300000000, 0.0000000000000000, 0.0019914000000000 ] - [ -0.0018664600000000, 0.0000000000000000, 0.0086109200000000 ] - [ 0.0036959700000000, 0.0010448400000000, 0.0002516500000000 ] - [ 0.0036959700000000, -0.0010448400000000, 0.0002516500000000 ] - [ 0.0131068000000000, 0.0000000000000000, 0.0185894700000000 ] - [ -0.0017820700000000, 0.0021764100000000, 0.0024769000000000 ] - [ -0.0017820700000000, -0.0021764100000000, 0.0024769000000000 ] - [ 0.0118751400000000, 0.0166967800000000, 0.0051850200000000 ] - [ 0.0085622900000000, -0.0003322300000000, 0.0013062300000000 ] - [ -0.0042175000000000, 0.0014704200000000, -0.0000817000000000 ] - [ -0.0017714500000000, 0.0009391600000000, -0.0014115500000000 ] - [ 0.0030463200000000, -0.0017175800000000, 0.0005637700000000 ] - [ -0.0035385700000000, 0.0000000000000000, -0.0019078000000000 ] - [ -0.0017714500000000, -0.0009391600000000, -0.0014115500000000 ] - [ 0.0213628000000000, 0.0123797000000000, -0.0084781500000000 ] - [ -0.0015135600000000, 0.0003544600000000, 0.0004553800000000 ] - [ 0.0213628000000000, -0.0123797000000000, -0.0084781500000000 ] - [ -0.0044197900000000, 0.0000000000000000, 0.0014218100000000 ] - [ -0.0010046900000000, -0.0032838100000000, -0.0063067300000000 ] - [ -0.0087321500000000, 0.0018918900000000, -0.0009377900000000 ] - [ 0.0194429300000000, 0.0000000000000000, 0.0151589700000000 ] - [ -0.0042175000000000, -0.0014704200000000, -0.0000817000000000 ] - [ -0.0005990300000000, -0.0040856600000000, -0.0060118100000000 ] - [ -0.0022660000000000, -0.0009793300000000, -0.0000096800000000 ] - [ -0.0015828800000000, 0.0000000000000000, 0.0002686200000000 ] - [ -0.0005990300000000, 0.0040856600000000, -0.0060118100000000 ] - [ 0.0011001800000000, 0.0000000000000000, -0.0004008200000000 ] - [ -0.0022660000000000, 0.0009793300000000, -0.0000096800000000 ] - [ -0.0087321500000000, -0.0018918900000000, -0.0009377900000000 ] - [ -0.0025913400000000, 0.0000000000000000, -0.0016928600000000 ] - [ 0.0030463200000000, 0.0017175800000000, 0.0005637700000000 ] - [ -0.0015135600000000, -0.0003544600000000, 0.0004553800000000 ] - [ -0.0070890800000000, 0.0000000000000000, -0.0029294500000000 ] - [ -0.0021320800000000, -0.0000401100000000, -0.0007509800000000 ] - [ -0.0010046900000000, 0.0032838100000000, -0.0063067300000000 ] - [ -0.0021320800000000, 0.0000401100000000, -0.0007509800000000 ] - [ -0.0028756400000000, 0.0000000000000000, 0.0004626000000000 ] - [ 0.0053570300000000, 0.0000000000000000, -0.0039754100000000 ] - [ -0.0012377000000000, 0.0000000000000000, -0.0002062700000000 ] - [ 0.0035876000000000, -0.0020628400000000, 0.0006956500000000 ] - [ -0.0003805900000000, 0.0046184000000000, -0.0069931500000000 ] - [ -0.0047612700000000, 0.0018169000000000, -0.0002123000000000 ] - [ 0.0186203800000000, 0.0000000000000000, 0.0159316200000000 ] - [ -0.0003805900000000, -0.0046184000000000, -0.0069931500000000 ] - [ -0.0028135800000000, -0.0013230800000000, 0.0001218200000000 ] - [ -0.0087404500000000, 0.0019244000000000, -0.0000095200000000 ] - [ -0.0028135800000000, 0.0013230800000000, 0.0001218200000000 ] - [ 0.0043393400000000, 0.0000000000000000, -0.0040731400000000 ] - [ -0.0023605700000000, -0.0005029400000000, -0.0017344100000000 ] - [ -0.0015264800000000, 0.0003064500000000, -0.0004786800000000 ] - [ -0.0025123900000000, 0.0000000000000000, -0.0020035000000000 ] - [ 0.0035876000000000, 0.0020628400000000, 0.0006956500000000 ] - [ -0.0020002500000000, -0.0003918100000000, -0.0004203200000000 ] - [ 0.0214850800000000, 0.0120247500000000, -0.0082227800000000 ] - [ -0.0016497100000000, 0.0000000000000000, 0.0001647800000000 ] - [ -0.0020002500000000, 0.0003918100000000, -0.0004203200000000 ] - [ -0.0032850800000000, 0.0000000000000000, 0.0000888600000000 ] - [ 0.0214850800000000, -0.0120247500000000, -0.0082227800000000 ] - [ -0.0015264800000000, -0.0003064500000000, -0.0004786800000000 ] - [ -0.0071033400000000, 0.0000000000000000, -0.0029269300000000 ] - [ -0.0047612700000000, -0.0018169000000000, -0.0002123000000000 ] - [ -0.0087404500000000, -0.0019244000000000, -0.0000095200000000 ] - [ -0.0025992000000000, 0.0000000000000000, -0.0016719000000000 ] - [ -0.0007941500000000, 0.0027493500000000, -0.0053342400000000 ] - [ -0.0023605700000000, 0.0005029400000000, -0.0017344100000000 ] - [ -0.0007941500000000, -0.0027493500000000, -0.0053342400000000 ] - [ 0.0015027200000000, 0.0000000000000000, -0.0000307600000000 ] - [ -0.0033943400000000, 0.0000000000000000, 0.0015108100000000 ] - [ -0.0011897100000000, 0.0000000000000000, -0.0001149300000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000005700000000, 0.0012740400000000, -0.0001278500000000 ] - [ -0.0000028600000000, -0.0039264000000000, 0.0001256400000000 ] - [ 0.0000028600000000, -0.0039264000000000, -0.0001256400000000 ] - [ -0.0000005700000000, 0.0012740400000000, 0.0001278500000000 ] - [ -0.0002245100000000, -0.0000073800000000, -0.0001287500000000 ] - [ -0.0016033900000000, 0.0031133100000000, -0.0087577900000000 ] - [ -0.0002600200000000, -0.0000052600000000, 0.0001268900000000 ] - [ 0.0020820300000000, 0.0031309400000000, 0.0086888700000000 ] - [ -0.0020820300000000, 0.0031309400000000, -0.0086888700000000 ] - [ 0.0002600200000000, -0.0000052600000000, -0.0001268900000000 ] - [ 0.0016033900000000, 0.0031133100000000, 0.0087577900000000 ] - [ 0.0002245100000000, -0.0000073800000000, 0.0001287500000000 ] - [ 0.0000000000000000, -0.1531848700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0016987500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004014600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0035557400000000, 0.0000000000000000 ] - [ -0.0008426800000000, -0.0001206300000000, 0.0004874200000000 ] - [ -0.0002541500000000, -0.0027798000000000, -0.0003432900000000 ] - [ -0.0004994700000000, -0.0014431000000000, 0.0012209500000000 ] - [ -0.0003218400000000, 0.0119353400000000, 0.0003766100000000 ] - [ 0.0003300800000000, -0.0005775200000000, -0.0004073100000000 ] - [ 0.0207144200000000, 0.0305605400000000, 0.0039330200000000 ] - [ -0.0200852400000000, 0.0300522700000000, -0.0047122900000000 ] - [ 0.0003078400000000, 0.0017895100000000, 0.0004096200000000 ] - [ 0.0046434100000000, 0.0019552100000000, 0.0003859000000000 ] - [ -0.0050868500000000, 0.0015404000000000, -0.0011124700000000 ] - [ 0.0003759200000000, -0.0005415800000000, 0.0002388200000000 ] - [ 0.0009578200000000, -0.0018799500000000, -0.0005123300000000 ] - [ -0.0207144200000000, 0.0305605400000000, -0.0039330200000000 ] - [ -0.0003078400000000, 0.0017895100000000, -0.0004096200000000 ] - [ -0.0046434100000000, 0.0019552100000000, -0.0003859000000000 ] - [ -0.0003300800000000, -0.0005775200000000, 0.0004073100000000 ] - [ 0.0003218400000000, 0.0119353400000000, -0.0003766100000000 ] - [ 0.0008426800000000, -0.0001206300000000, -0.0004874200000000 ] - [ -0.0003759200000000, -0.0005415800000000, -0.0002388200000000 ] - [ 0.0002541500000000, -0.0027798000000000, 0.0003432900000000 ] - [ 0.0004994700000000, -0.0014431000000000, -0.0012209500000000 ] - [ -0.0009578200000000, -0.0018799500000000, 0.0005123300000000 ] - [ 0.0200852400000000, 0.0300522700000000, 0.0047122900000000 ] - [ 0.0050868500000000, 0.0015404000000000, 0.0011124700000000 ] - [ -0.0009473500000000, 0.0003757100000000, 0.0000835000000000 ] - [ 0.0002085700000000, 0.0004667700000000, -0.0006005700000000 ] - [ -0.0004145300000000, -0.0004891100000000, 0.0017025800000000 ] - [ -0.0005119200000000, -0.0003295400000000, 0.0000467300000000 ] - [ 0.0000222700000000, -0.0000735900000000, -0.0003798900000000 ] - [ 0.0094243500000000, 0.0204333300000000, -0.0108708100000000 ] - [ 0.0005645200000000, 0.0002881800000000, 0.0001713900000000 ] - [ -0.0090246500000000, 0.0197107600000000, 0.0103413200000000 ] - [ -0.0005191800000000, 0.0003359700000000, -0.0000417800000000 ] - [ -0.0003282000000000, 0.0008682300000000, -0.0001266700000000 ] - [ 0.0091193000000000, -0.0038420800000000, -0.0002158000000000 ] - [ 0.0005777600000000, 0.0099076400000000, 0.0000613600000000 ] - [ 0.0014854500000000, 0.0007157400000000, 0.0000466200000000 ] - [ -0.0040267400000000, -0.0090799200000000, -0.0061616900000000 ] - [ 0.0001075900000000, 0.0000774600000000, 0.0000253000000000 ] - [ -0.0002206900000000, -0.0185448800000000, 0.0001899400000000 ] - [ 0.0037666800000000, -0.0095959400000000, 0.0071149300000000 ] - [ -0.0002023300000000, 0.0019563700000000, -0.0001845500000000 ] - [ 0.0004362800000000, -0.0002694800000000, -0.0001545100000000 ] - [ -0.0091331100000000, -0.0037915300000000, -0.0007022300000000 ] - [ -0.0000095900000000, -0.0019261400000000, -0.0000141900000000 ] - [ -0.0001319300000000, -0.0008451400000000, -0.0018248000000000 ] - [ -0.0005571800000000, 0.0002440100000000, 0.0007630200000000 ] - [ 0.0000282800000000, 0.0006406100000000, 0.0000131200000000 ] - [ 0.0009387300000000, -0.0011550400000000, 0.0015110600000000 ] - [ 0.0001165300000000, 0.0013859000000000, -0.0008164000000000 ] - [ -0.0007172400000000, -0.0006082600000000, -0.0005273300000000 ] - [ 0.0002033300000000, -0.0028279900000000, 0.0001865600000000 ] - [ 0.0005121800000000, -0.0030423500000000, 0.0000572300000000 ] - [ 0.0002056800000000, 0.0004075500000000, -0.0001855800000000 ] - [ 0.0001319300000000, -0.0008451400000000, 0.0018248000000000 ] - [ 0.0040267400000000, -0.0090799200000000, 0.0061616900000000 ] - [ -0.0014854500000000, 0.0007157400000000, -0.0000466200000000 ] - [ -0.0005777600000000, 0.0099076400000000, -0.0000613600000000 ] - [ -0.0037666800000000, -0.0095959400000000, -0.0071149300000000 ] - [ -0.0004362800000000, -0.0002694800000000, 0.0001545100000000 ] - [ 0.0091331100000000, -0.0037915300000000, 0.0007022300000000 ] - [ -0.0001075900000000, 0.0000774600000000, -0.0000253000000000 ] - [ -0.0005121800000000, -0.0030423500000000, -0.0000572300000000 ] - [ -0.0009387300000000, -0.0011550400000000, -0.0015110600000000 ] - [ 0.0005571800000000, 0.0002440100000000, -0.0007630200000000 ] - [ 0.0005119200000000, -0.0003295400000000, -0.0000467300000000 ] - [ 0.0004145300000000, -0.0004891100000000, -0.0017025800000000 ] - [ -0.0002085700000000, 0.0004667700000000, 0.0006005700000000 ] - [ 0.0090246500000000, 0.0197107600000000, -0.0103413200000000 ] - [ -0.0002056800000000, 0.0004075500000000, 0.0001855800000000 ] - [ -0.0000222700000000, -0.0000735900000000, 0.0003798900000000 ] - [ -0.0002033300000000, -0.0028279900000000, -0.0001865600000000 ] - [ -0.0094243500000000, 0.0204333300000000, 0.0108708100000000 ] - [ -0.0005645200000000, 0.0002881800000000, -0.0001713900000000 ] - [ -0.0000282800000000, 0.0006406100000000, -0.0000131200000000 ] - [ 0.0009473500000000, 0.0003757100000000, -0.0000835000000000 ] - [ -0.0091193000000000, -0.0038420800000000, 0.0002158000000000 ] - [ 0.0000095900000000, -0.0019261400000000, 0.0000141900000000 ] - [ 0.0003282000000000, 0.0008682300000000, 0.0001266700000000 ] - [ 0.0007172400000000, -0.0006082600000000, 0.0005273300000000 ] - [ -0.0001165300000000, 0.0013859000000000, 0.0008164000000000 ] - [ 0.0002023300000000, 0.0019563700000000, 0.0001845500000000 ] - [ 0.0005191800000000, 0.0003359700000000, 0.0000417800000000 ] - [ 0.0002206900000000, -0.0185448800000000, -0.0001899400000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006284600000000, 0.0000000000000000, 0.0008552900000000 ] - [ -0.0036077200000000, 0.0000000000000000, 0.0008527700000000 ] - [ -0.0036054600000000, 0.0000000000000000, 0.0005842500000000 ] - [ -0.0006287200000000, 0.0000000000000000, 0.0010958600000000 ] - [ -0.0000822900000000, -0.0001965100000000, 0.0000441800000000 ] - [ -0.0000249200000000, -0.0093717200000000, 0.0068741600000000 ] - [ -0.0000822900000000, 0.0001965100000000, 0.0000441800000000 ] - [ -0.0000249200000000, 0.0093717200000000, 0.0068741600000000 ] - [ -0.0005133700000000, -0.0094682300000000, 0.0069062000000000 ] - [ 0.0004016800000000, -0.0001974500000000, 0.0000407000000000 ] - [ -0.0005133700000000, 0.0094682300000000, 0.0069062000000000 ] - [ 0.0004016800000000, 0.0001974500000000, 0.0000407000000000 ] - [ -0.0093599800000000, 0.0000000000000000, -0.1677678700000000 ] - [ -0.0000401500000000, 0.0000000000000000, -0.0029099000000000 ] - [ 0.0007236100000000, 0.0000000000000000, 0.0006449800000000 ] - [ -0.0008988100000000, 0.0000000000000000, 0.0056843100000000 ] - [ 0.0002368700000000, -0.0000699800000000, 0.0025809400000000 ] - [ 0.0283708700000000, 0.0000000000000000, 0.0288207500000000 ] - [ -0.0012874700000000, -0.0000334000000000, 0.0113353400000000 ] - [ 0.0015184400000000, 0.0000000000000000, -0.0006108400000000 ] - [ 0.0070885300000000, 0.0000000000000000, 0.0018501200000000 ] - [ -0.0074330200000000, -0.0076236400000000, -0.0135628900000000 ] - [ -0.0074330200000000, 0.0076236400000000, -0.0135628900000000 ] - [ 0.0015934500000000, 0.0000000000000000, -0.0007075400000000 ] - [ -0.0028122800000000, 0.0002433000000000, -0.0026165900000000 ] - [ -0.0028122800000000, -0.0002433000000000, -0.0026165900000000 ] - [ 0.0002368700000000, 0.0000699800000000, 0.0025809400000000 ] - [ -0.0012874700000000, 0.0000334000000000, 0.0113353400000000 ] - [ -0.0078844500000000, 0.0080153400000000, -0.0127634400000000 ] - [ 0.0009570500000000, 0.0000000000000000, -0.0015834600000000 ] - [ -0.0022865000000000, 0.0001984400000000, -0.0018365700000000 ] - [ 0.0064806800000000, 0.0000000000000000, 0.0027149900000000 ] - [ 0.0021613200000000, 0.0000000000000000, -0.0015046700000000 ] - [ 0.0007326900000000, 0.0005098400000000, 0.0018064100000000 ] - [ 0.0007326900000000, -0.0005098400000000, 0.0018064100000000 ] - [ 0.0292699300000000, 0.0000000000000000, 0.0299152700000000 ] - [ -0.0018128700000000, 0.0004488800000000, 0.0105437500000000 ] - [ -0.0018128700000000, -0.0004488800000000, 0.0105437500000000 ] - [ -0.0078844500000000, -0.0080153400000000, -0.0127634400000000 ] - [ -0.0022865000000000, -0.0001984400000000, -0.0018365700000000 ] - [ 0.0012295200000000, -0.0005298200000000, 0.0006452800000000 ] - [ -0.0011793500000000, 0.0012402200000000, -0.0023986100000000 ] - [ 0.0010908300000000, 0.0001286200000000, -0.0040848100000000 ] - [ -0.0009003300000000, 0.0000000000000000, -0.0000203900000000 ] - [ -0.0011793500000000, -0.0012402200000000, -0.0023986100000000 ] - [ -0.0058289400000000, -0.0077896600000000, 0.0167657800000000 ] - [ -0.0003819900000000, 0.0002989900000000, -0.0019020800000000 ] - [ -0.0058289400000000, 0.0077896600000000, 0.0167657800000000 ] - [ -0.0026293600000000, 0.0000000000000000, 0.0011106900000000 ] - [ -0.0035300700000000, -0.0053074700000000, -0.0130340200000000 ] - [ 0.0054028900000000, -0.0013992800000000, 0.0012352200000000 ] - [ 0.0118264200000000, 0.0000000000000000, 0.0331105900000000 ] - [ 0.0012295200000000, 0.0005298200000000, 0.0006452800000000 ] - [ -0.0007461000000000, 0.0002245700000000, 0.0079408800000000 ] - [ -0.0000212900000000, -0.0001399200000000, -0.0006599200000000 ] - [ 0.0021002800000000, 0.0000000000000000, 0.0029178100000000 ] - [ -0.0007461000000000, -0.0002245700000000, 0.0079408800000000 ] - [ 0.0018571600000000, 0.0000000000000000, -0.0060686900000000 ] - [ -0.0000212900000000, 0.0001399200000000, -0.0006599200000000 ] - [ 0.0054028900000000, 0.0013992800000000, 0.0012352200000000 ] - [ -0.0009208100000000, 0.0000000000000000, 0.0004983100000000 ] - [ 0.0010908300000000, -0.0001286200000000, -0.0040848100000000 ] - [ -0.0003819900000000, -0.0002989900000000, -0.0019020800000000 ] - [ -0.0126454900000000, 0.0000000000000000, -0.0024640200000000 ] - [ 0.0002027800000000, -0.0003730500000000, 0.0020437800000000 ] - [ -0.0035300700000000, 0.0053074700000000, -0.0130340200000000 ] - [ 0.0002027800000000, 0.0003730500000000, 0.0020437800000000 ] - [ 0.0012410300000000, 0.0000000000000000, 0.0006336700000000 ] - [ 0.0000462200000000, 0.0000000000000000, -0.0011635100000000 ] - [ 0.0000624000000000, 0.0000000000000000, -0.0011599400000000 ] - [ 0.0017183000000000, -0.0002660100000000, -0.0039658700000000 ] - [ -0.0005300900000000, 0.0003254400000000, 0.0068848200000000 ] - [ 0.0006007000000000, -0.0001203500000000, 0.0005298100000000 ] - [ 0.0121647200000000, 0.0000000000000000, 0.0354599700000000 ] - [ -0.0005300900000000, -0.0003254400000000, 0.0068848200000000 ] - [ -0.0006403500000000, -0.0005429500000000, -0.0005401700000000 ] - [ 0.0053637000000000, -0.0012885900000000, 0.0020881100000000 ] - [ -0.0006403500000000, 0.0005429500000000, -0.0005401700000000 ] - [ -0.0010419200000000, 0.0000000000000000, -0.0011901100000000 ] - [ -0.0000167800000000, -0.0001790200000000, 0.0010230500000000 ] - [ -0.0003675100000000, 0.0001905600000000, -0.0027524500000000 ] - [ 0.0001796000000000, 0.0000000000000000, -0.0000606000000000 ] - [ 0.0017183000000000, 0.0002660100000000, -0.0039658700000000 ] - [ -0.0013905500000000, -0.0006861000000000, -0.0013856400000000 ] - [ -0.0053723100000000, -0.0075993400000000, 0.0166918000000000 ] - [ -0.0003221800000000, 0.0000000000000000, -0.0007290100000000 ] - [ -0.0013905500000000, 0.0006861000000000, -0.0013856400000000 ] - [ 0.0008464600000000, 0.0000000000000000, 0.0002041200000000 ] - [ -0.0053723100000000, 0.0075993400000000, 0.0166918000000000 ] - [ -0.0003675100000000, -0.0001905600000000, -0.0027524500000000 ] - [ -0.0125964400000000, 0.0000000000000000, -0.0024681200000000 ] - [ 0.0006007000000000, 0.0001203500000000, 0.0005298100000000 ] - [ 0.0053637000000000, 0.0012885900000000, 0.0020881100000000 ] - [ -0.0009208500000000, 0.0000000000000000, 0.0005046200000000 ] - [ -0.0032964200000000, 0.0047487500000000, -0.0120007300000000 ] - [ -0.0000167800000000, 0.0001790200000000, 0.0010230500000000 ] - [ -0.0032964200000000, -0.0047487500000000, -0.0120007300000000 ] - [ 0.0022634100000000, 0.0000000000000000, -0.0056506300000000 ] - [ -0.0015578100000000, 0.0000000000000000, 0.0011628800000000 ] - [ 0.0024708200000000, 0.0000000000000000, 0.0024851500000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0051315800000000, 0.0064341800000000, -0.0030042300000000 ] - [ -0.0030853900000000, -0.0032743600000000, -0.0041483500000000 ] - [ 0.0014031200000000, 0.0000729000000000, -0.0004798200000000 ] - [ 0.0020489500000000, -0.0002312300000000, -0.0002400700000000 ] - [ -0.0001170700000000, 0.0000545200000000, 0.0012973000000000 ] - [ 0.0016228600000000, -0.0002714500000000, -0.0007377600000000 ] - [ 0.0042936500000000, -0.0011105500000000, 0.0073557200000000 ] - [ 0.0027932800000000, 0.0000495000000000, -0.0016189300000000 ] - [ 0.0016670600000000, 0.0004740300000000, 0.0012776900000000 ] - [ 0.0002438400000000, -0.0000384600000000, -0.0040877700000000 ] - [ 0.0008128400000000, -0.0001706200000000, 0.0005072500000000 ] - [ -0.0001784800000000, -0.0001503200000000, -0.0010686500000000 ] - [ 0.0034673200000000, -0.0006089900000000, 0.0004826500000000 ] - [ -0.0015773500000000, 0.0007284900000000, 0.0015568200000000 ] - [ 0.0120524600000000, -0.0204519200000000, -0.0076452100000000 ] - [ 0.0083400500000000, 0.0048659000000000, 0.0025526800000000 ] - [ -0.4318396500000000, 0.0753963400000000, -0.0263356300000000 ] - [ 0.0050353800000000, -0.0001949900000000, -0.0008022100000000 ] - [ 0.0629122600000000, -0.0075488600000000, 0.0099392900000000 ] - [ 0.0050954100000000, 0.0000567600000000, -0.0004366700000000 ] - [ 0.0052483400000000, 0.0021337000000000, 0.0029504400000000 ] - [ -0.0020383600000000, 0.0008676500000000, -0.0003445000000000 ] - [ -0.0014825600000000, 0.0004414500000000, -0.0012210200000000 ] - [ 0.0060696900000000, -0.0004994200000000, 0.0034777500000000 ] - [ -0.0048983500000000, -0.0001898900000000, -0.0006714000000000 ] - [ -0.0072038400000000, -0.0003713400000000, -0.0002190000000000 ] - [ -0.0164880000000000, 0.0068246200000000, -0.0051247300000000 ] - [ -0.0061797600000000, -0.0131864200000000, 0.0028024500000000 ] - [ 0.0030384900000000, -0.0000775500000000, 0.0002695400000000 ] - [ -0.0098943200000000, 0.0002293300000000, -0.0027568500000000 ] - [ 0.0024421200000000, -0.0001663700000000, 0.0012699200000000 ] - [ -0.0079945200000000, 0.0010562100000000, -0.0033097700000000 ] - [ -0.0023615700000000, 0.0015019500000000, 0.0018255000000000 ] - [ 0.0108201500000000, 0.0027003600000000, -0.0010964500000000 ] - [ 0.0057856700000000, 0.0010649100000000, -0.0000199400000000 ] - [ -0.0044743300000000, -0.0089951700000000, 0.0123906300000000 ] - [ 0.0070064300000000, -0.0005430500000000, -0.0000673300000000 ] - [ 0.0054063500000000, 0.0000626400000000, -0.0002988600000000 ] - [ 0.0033138100000000, 0.0001802800000000, 0.0002158600000000 ] - [ 0.0026727400000000, -0.0001279100000000, 0.0014286600000000 ] - [ 0.0022891700000000, -0.0008228300000000, -0.0005919500000000 ] - [ 0.0339129500000000, -0.0018964800000000, -0.0083547700000000 ] - [ -0.0002366500000000, 0.0019534100000000, -0.0001904200000000 ] - [ -0.0047285800000000, 0.0015939200000000, -0.0036580400000000 ] - [ 0.0039396700000000, -0.0015299700000000, 0.0036107400000000 ] - [ -0.0003442400000000, 0.0001234900000000, 0.0006097800000000 ] - [ 0.1869388600000000, 0.0270022500000000, -0.0397752500000000 ] - [ -0.0008571200000000, 0.0002035800000000, 0.0016596000000000 ] - [ -0.0015856300000000, -0.0008807500000000, -0.0021845000000000 ] - [ 0.0011109100000000, 0.0028154100000000, -0.0028632000000000 ] - [ 0.0043512900000000, -0.0006487700000000, 0.0013509000000000 ] - [ -0.0020208300000000, 0.0001969400000000, -0.0005965300000000 ] - [ 0.0030893500000000, 0.0005014800000000, -0.0020895600000000 ] - [ 0.0006607200000000, -0.0000870800000000, -0.0001452600000000 ] - [ 0.0037165300000000, 0.0024376700000000, 0.0000308300000000 ] - [ 0.0002633200000000, -0.0007145900000000, 0.0007128400000000 ] - [ 0.0006197000000000, -0.0006923800000000, -0.0001697000000000 ] - [ -0.0091912800000000, 0.0148325700000000, -0.0002493000000000 ] - [ 0.1302727600000000, -0.1201233900000000, 0.0638536200000000 ] - [ 0.0035932100000000, 0.0003317000000000, 0.0001437800000000 ] - [ 0.0051926200000000, -0.0009776600000000, -0.0015383700000000 ] - [ -0.0164827200000000, -0.0074237600000000, 0.0002265000000000 ] - [ 0.0140378300000000, -0.0005342500000000, 0.0010816100000000 ] - [ 0.0090032700000000, -0.0005924800000000, 0.0001644900000000 ] - [ 0.0025028300000000, -0.0002974100000000, 0.0014022900000000 ] - [ -0.0082793800000000, 0.0068702400000000, -0.0155997100000000 ] - [ 0.0022669500000000, 0.0005411500000000, 0.0014271300000000 ] - [ 0.0024018900000000, 0.0003711600000000, -0.0005817700000000 ] - [ -0.0029852600000000, -0.0005515400000000, 0.0022039500000000 ] - [ 0.0442537500000000, 0.0296764000000000, 0.0164102500000000 ] - [ -0.0038647500000000, 0.0010773900000000, -0.0005170000000000 ] - [ -0.0013145600000000, 0.0003102100000000, -0.0001869000000000 ] - [ -0.0007770100000000, 0.0001979500000000, 0.0002350500000000 ] - [ -0.0017142400000000, 0.0016426200000000, -0.0038026600000000 ] - [ -0.0014396400000000, -0.0004060200000000, -0.0001838100000000 ] - [ -0.0069078700000000, -0.0003425200000000, 0.0022876900000000 ] - [ -0.0027819500000000, 0.0000795100000000, 0.0004442700000000 ] - [ -0.0032171700000000, 0.0028380700000000, 0.0014813800000000 ] - [ -0.0007434200000000, -0.0010616600000000, -0.0018563200000000 ] - [ -0.0015293900000000, -0.0003925000000000, -0.0020347500000000 ] - [ -0.0052044500000000, -0.0002624500000000, -0.0004976500000000 ] - [ 0.0047257700000000, 0.0016970200000000, 0.0060132900000000 ] - [ -0.0030142500000000, -0.0016048700000000, -0.0004106300000000 ] - [ -0.0038032100000000, -0.0013651800000000, -0.0008737300000000 ] - [ -0.0017142900000000, -0.0006112400000000, -0.0001747800000000 ] - [ -0.0031614100000000, -0.0015639500000000, 0.0005791900000000 ] - [ -0.0017975100000000, -0.0006206400000000, -0.0001724000000000 ] - [ -0.0009497400000000, 0.0001882400000000, -0.0001904900000000 ] - [ -0.0015775000000000, 0.0006953300000000, -0.0001116700000000 ] - [ -0.0067730400000000, -0.0001968700000000, -0.0003618700000000 ] - [ -0.0043805700000000, -0.0002351400000000, -0.0004988900000000 ] - [ -0.0006997800000000, -0.0003525700000000, 0.0000208400000000 ] - [ -0.0029809800000000, -0.0000597800000000, 0.0004497300000000 ] - [ -0.0045452700000000, 0.0000663500000000, -0.0003591700000000 ] - [ -0.0018020700000000, -0.0004184600000000, 0.0004822800000000 ] - [ -0.0012635800000000, 0.0007811000000000, -0.0019397200000000 ] - [ -0.0023181100000000, 0.0006737200000000, 0.0004491300000000 ] - [ -0.0021665700000000, 0.0000438700000000, 0.0002969900000000 ] - [ 0.0023831100000000, 0.0005736700000000, -0.0004519800000000 ] - [ -0.0010195800000000, -0.0000360900000000, -0.0002804100000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0051527100000000, -0.0064422000000000, 0.0027596300000000 ] - [ 0.0031052300000000, 0.0032755900000000, 0.0044008800000000 ] - [ -0.0014029100000000, -0.0000715900000000, 0.0002271300000000 ] - [ -0.0020461200000000, 0.0002270800000000, 0.0004854200000000 ] - [ -0.0003821200000000, -0.0000504600000000, -0.0012996400000000 ] - [ -0.0011372300000000, 0.0002738000000000, 0.0007394000000000 ] - [ -0.0047742300000000, 0.0010852800000000, -0.0072858600000000 ] - [ -0.0023068200000000, -0.0000518700000000, 0.0016208300000000 ] - [ -0.0021541400000000, -0.0004783500000000, -0.0012832400000000 ] - [ 0.0002235500000000, 0.0000329500000000, 0.0040576300000000 ] - [ -0.0012946600000000, 0.0001724100000000, -0.0005087600000000 ] - [ 0.0006507600000000, 0.0001500500000000, 0.0010695400000000 ] - [ -0.0034591700000000, 0.0006099300000000, -0.0004863800000000 ] - [ 0.0015444400000000, -0.0007285900000000, -0.0015434700000000 ] - [ -0.0121341900000000, 0.0203473400000000, 0.0076740100000000 ] - [ -0.0083311300000000, -0.0048644000000000, -0.0025453600000000 ] - [ 0.4439992200000000, -0.0667366800000000, 0.0193973100000000 ] - [ -0.0056609400000000, 0.0001973200000000, -0.0000105500000000 ] - [ -0.0629341800000000, 0.0078596700000000, -0.0090348600000000 ] - [ -0.0057251900000000, -0.0000575300000000, 0.0012534700000000 ] - [ -0.0046096000000000, -0.0021055400000000, -0.0037351300000000 ] - [ 0.0025114200000000, -0.0004462200000000, -0.0003828400000000 ] - [ 0.0019578300000000, -0.0008627400000000, 0.0004909300000000 ] - [ -0.0054419800000000, 0.0004946300000000, -0.0026582800000000 ] - [ 0.0044440300000000, 0.0006158100000000, -0.0000551900000000 ] - [ 0.0067496100000000, -0.0000518600000000, -0.0005125600000000 ] - [ 0.0160573700000000, -0.0073184400000000, 0.0058273500000000 ] - [ 0.0066644400000000, 0.0128205400000000, -0.0020830700000000 ] - [ -0.0034967200000000, 0.0004966100000000, 0.0004546400000000 ] - [ 0.0092685700000000, -0.0002155600000000, 0.0019509100000000 ] - [ -0.0019911900000000, 0.0005826400000000, -0.0005447000000000 ] - [ 0.0073793300000000, -0.0010557200000000, 0.0042128700000000 ] - [ 0.0030137200000000, -0.0015069500000000, -0.0026484300000000 ] - [ -0.0102964800000000, -0.0022612400000000, 0.0003646700000000 ] - [ -0.0053277300000000, -0.0014473800000000, -0.0007023400000000 ] - [ 0.0051445500000000, 0.0090533200000000, -0.0116338200000000 ] - [ -0.0074481600000000, 0.0009622300000000, -0.0006529700000000 ] - [ -0.0058589100000000, -0.0004771000000000, -0.0004236100000000 ] - [ -0.0037708900000000, -0.0006006100000000, 0.0005078700000000 ] - [ -0.0022211000000000, -0.0002911900000000, -0.0007033600000000 ] - [ -0.0017396400000000, 0.0004755800000000, 0.0007266400000000 ] - [ -0.0339102700000000, 0.0021715000000000, 0.0086536100000000 ] - [ -0.0003143900000000, -0.0016149700000000, 0.0000594900000000 ] - [ 0.0037243100000000, -0.0015826900000000, 0.0037559000000000 ] - [ -0.0037177100000000, 0.0010359100000000, -0.0046314500000000 ] - [ -0.0002068100000000, -0.0004723100000000, -0.0004783600000000 ] - [ -0.2001102800000000, -0.0294856100000000, 0.0445320500000000 ] - [ 0.0003058000000000, 0.0001452600000000, -0.0015306500000000 ] - [ 0.0005743600000000, 0.0008732200000000, 0.0020655700000000 ] - [ -0.0013441700000000, -0.0033782300000000, 0.0018805000000000 ] - [ -0.0043648700000000, 0.0006087300000000, -0.0022863700000000 ] - [ 0.0030380000000000, -0.0001973800000000, 0.0004948000000000 ] - [ -0.0025333900000000, -0.0001515600000000, 0.0022239400000000 ] - [ -0.0008908100000000, 0.0006346900000000, 0.0011340400000000 ] - [ -0.0031463800000000, -0.0020591200000000, -0.0001721200000000 ] - [ -0.0006813200000000, 0.0007147100000000, -0.0003402100000000 ] - [ -0.0008504900000000, 0.0001459000000000, 0.0011592800000000 ] - [ 0.0088044900000000, -0.0148526400000000, -0.0001287500000000 ] - [ -0.1279877700000000, 0.1148750500000000, -0.0616104500000000 ] - [ -0.0036037900000000, -0.0002917700000000, -0.0010814100000000 ] - [ -0.0052116800000000, 0.0009788500000000, 0.0015145500000000 ] - [ 0.0158705200000000, 0.0070502100000000, -0.0003795000000000 ] - [ -0.0140976200000000, 0.0004952900000000, -0.0001406300000000 ] - [ -0.0090602600000000, 0.0005969400000000, -0.0001497400000000 ] - [ -0.0022794300000000, -0.0002543900000000, -0.0004253300000000 ] - [ 0.0081045900000000, -0.0063543500000000, 0.0146630400000000 ] - [ -0.0020445300000000, 0.0000055200000000, -0.0004421300000000 ] - [ -0.0019897500000000, -0.0003753300000000, 0.0009583600000000 ] - [ 0.0040028800000000, 0.0005512400000000, -0.0021063200000000 ] - [ -0.0443204600000000, -0.0300628100000000, -0.0168033700000000 ] - [ 0.0044021000000000, -0.0014175500000000, 0.0006441600000000 ] - [ 0.0015387400000000, 0.0002376600000000, -0.0007977800000000 ] - [ 0.0002424200000000, 0.0001430900000000, -0.0003615100000000 ] - [ 0.0006893600000000, -0.0016510600000000, 0.0039133500000000 ] - [ 0.0016636900000000, -0.0001409000000000, -0.0008029400000000 ] - [ 0.0063321800000000, 0.0000380600000000, -0.0021488400000000 ] - [ 0.0027854200000000, -0.0000393300000000, 0.0004948700000000 ] - [ 0.0026898800000000, -0.0025076300000000, -0.0013546800000000 ] - [ -0.0002823300000000, 0.0010659800000000, 0.0017636600000000 ] - [ 0.0013066000000000, -0.0001531800000000, 0.0010468000000000 ] - [ 0.0051998500000000, 0.0002163000000000, -0.0004416600000000 ] - [ -0.0036829500000000, -0.0016982000000000, -0.0061110900000000 ] - [ 0.0035529800000000, 0.0019460900000000, 0.0005366000000000 ] - [ 0.0035542300000000, 0.0018976400000000, 0.0018442800000000 ] - [ 0.0022565100000000, 0.0009563800000000, 0.0000455700000000 ] - [ 0.0027321400000000, 0.0015391900000000, -0.0002043800000000 ] - [ 0.0015735800000000, 0.0000613400000000, 0.0011530500000000 ] - [ 0.0005404200000000, -0.0001863700000000, -0.0001799700000000 ] - [ 0.0021195700000000, -0.0010403800000000, -0.0000157500000000 ] - [ 0.0067495500000000, 0.0002348400000000, -0.0005773200000000 ] - [ 0.0043742900000000, 0.0002309100000000, 0.0004683000000000 ] - [ 0.0001653700000000, 0.0000107500000000, -0.0001484100000000 ] - [ 0.0029830300000000, 0.0000200800000000, 0.0004919300000000 ] - [ 0.0045473600000000, -0.0000649800000000, 0.0003823400000000 ] - [ 0.0020252000000000, -0.0001311800000000, 0.0004998700000000 ] - [ 0.0010417900000000, -0.0002321800000000, 0.0009551400000000 ] - [ 0.0025386500000000, -0.0001261900000000, 0.0005324700000000 ] - [ 0.0025766400000000, -0.0000476500000000, 0.0000744300000000 ] - [ -0.0013283900000000, -0.0005584400000000, 0.0005119200000000 ] - [ 0.0014319900000000, 0.0000364800000000, -0.0000894700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0049287500000000, 0.0076896500000000, -0.0037770000000000 ] - [ -0.0033284200000000, -0.0016675800000000, 0.0039090900000000 ] - [ 0.0000458400000000, -0.0001103700000000, -0.0000494100000000 ] - [ -0.0004369600000000, 0.0002802500000000, 0.0003274400000000 ] - [ 0.0023792000000000, 0.0034549500000000, 0.0016941900000000 ] - [ -0.0000761100000000, 0.0000737600000000, 0.0000978600000000 ] - [ -0.0025171200000000, -0.0045837400000000, -0.0034434400000000 ] - [ 0.0003296500000000, -0.0001444500000000, -0.0001916100000000 ] - [ -0.0002936600000000, -0.0001458900000000, 0.0001275000000000 ] - [ 0.0009270800000000, -0.0021571000000000, 0.0014683500000000 ] - [ -0.0005935400000000, 0.0002427900000000, -0.0001359300000000 ] - [ 0.0016819600000000, 0.0019281400000000, -0.0008245300000000 ] - [ -0.0008388000000000, -0.0003320300000000, -0.0002890600000000 ] - [ 0.0019674800000000, -0.0016659700000000, -0.0002418300000000 ] - [ -0.0168903000000000, 0.0302986400000000, 0.0078528500000000 ] - [ -0.0001255700000000, 0.0017554100000000, -0.0000202300000000 ] - [ 0.0653809700000000, -0.4886131000000000, 0.0598567300000000 ] - [ -0.0003982400000000, -0.0002943300000000, -0.0007091200000000 ] - [ 0.0079474400000000, -0.0039230700000000, 0.0035284600000000 ] - [ -0.0012239000000000, 0.0001304300000000, 0.0000616500000000 ] - [ 0.0026957700000000, -0.0021135100000000, -0.0015613100000000 ] - [ -0.0004304200000000, 0.0014464000000000, -0.0001881400000000 ] - [ 0.0008821100000000, -0.0005907700000000, -0.0006659700000000 ] - [ -0.0027591400000000, 0.0006004600000000, -0.0026895200000000 ] - [ -0.0006291800000000, 0.0042229600000000, 0.0001725000000000 ] - [ -0.0000675000000000, -0.0012402500000000, -0.0026169700000000 ] - [ -0.0072531400000000, 0.0711181200000000, -0.0105891500000000 ] - [ -0.0128170300000000, -0.0028995800000000, -0.0004577600000000 ] - [ -0.0005179500000000, 0.0004875800000000, 0.0002108700000000 ] - [ 0.0023680200000000, 0.0018533500000000, 0.0049967800000000 ] - [ 0.0006048200000000, 0.0013674500000000, -0.0002096700000000 ] - [ -0.0017678100000000, -0.0008632200000000, -0.0233908100000000 ] - [ 0.0017896900000000, 0.0007806600000000, 0.0006144500000000 ] - [ -0.0022615300000000, -0.0057153800000000, -0.0006634400000000 ] - [ 0.0014875700000000, 0.0020240600000000, -0.0019058100000000 ] - [ -0.0039693900000000, -0.0031488900000000, 0.0006970700000000 ] - [ -0.0009841600000000, -0.0001306300000000, -0.0004521800000000 ] - [ -0.0005010700000000, -0.0003600300000000, -0.0004358400000000 ] - [ -0.0006213000000000, -0.0003457500000000, 0.0002068200000000 ] - [ 0.0003106500000000, -0.0009596700000000, -0.0005368300000000 ] - [ -0.0000074500000000, -0.0018460100000000, -0.0019171100000000 ] - [ -0.0014290200000000, 0.0368814900000000, -0.0195702200000000 ] - [ 0.0029330100000000, -0.0013646300000000, -0.0004442000000000 ] - [ 0.0034532600000000, -0.0030278400000000, 0.0034480600000000 ] - [ 0.0007541400000000, -0.0048110900000000, 0.0142872300000000 ] - [ 0.0002283100000000, -0.0004894500000000, -0.0002160800000000 ] - [ 0.0252045300000000, 0.0370472200000000, -0.0083013100000000 ] - [ -0.0002154300000000, 0.0007026400000000, 0.0001630600000000 ] - [ -0.0025806700000000, 0.0010923300000000, -0.0004670800000000 ] - [ 0.0023179000000000, 0.0007324400000000, 0.0007220800000000 ] - [ -0.0005332900000000, 0.0006458900000000, 0.0002002400000000 ] - [ 0.0007178800000000, 0.0001098700000000, 0.0001582900000000 ] - [ 0.0002480200000000, 0.0028964100000000, 0.0015071500000000 ] - [ -0.0002067700000000, -0.0004288300000000, 0.0000622400000000 ] - [ -0.0052032100000000, -0.0212756800000000, 0.0007975600000000 ] - [ -0.0002784000000000, -0.0005010500000000, 0.0005511700000000 ] - [ -0.0003557500000000, -0.0000676500000000, 0.0003194300000000 ] - [ -0.0016909200000000, 0.0072571300000000, -0.0002704400000000 ] - [ -0.1141608900000000, 0.1874042400000000, -0.0788371300000000 ] - [ 0.0003238200000000, -0.0012274000000000, -0.0008621900000000 ] - [ -0.0014134200000000, -0.0010723300000000, -0.0017235600000000 ] - [ -0.0018689900000000, -0.0006603500000000, -0.0004134000000000 ] - [ 0.0148230200000000, -0.0104729300000000, 0.0012735300000000 ] - [ 0.0030638200000000, 0.0012782400000000, 0.0014835700000000 ] - [ -0.0001184700000000, 0.0008678000000000, 0.0002097200000000 ] - [ -0.0011344300000000, 0.0029101200000000, -0.0039901200000000 ] - [ -0.0001851900000000, -0.0019292300000000, -0.0006589200000000 ] - [ -0.0000637400000000, -0.0016975700000000, 0.0018080800000000 ] - [ 0.0008322100000000, -0.0002188200000000, -0.0000398900000000 ] - [ 0.0354165900000000, 0.1645649000000000, 0.0612393400000000 ] - [ 0.0005171100000000, -0.0003020800000000, 0.0000449700000000 ] - [ 0.0003269600000000, 0.0000654000000000, -0.0002711900000000 ] - [ -0.0008927200000000, 0.0011669400000000, -0.0001286600000000 ] - [ 0.0004997400000000, 0.0005846300000000, 0.0004040900000000 ] - [ 0.0003276000000000, -0.0001631600000000, -0.0002971300000000 ] - [ 0.0045908300000000, 0.0019771600000000, -0.0024665700000000 ] - [ 0.0000711700000000, -0.0001973700000000, 0.0005756100000000 ] - [ 0.0011682600000000, -0.0044668200000000, -0.0010572800000000 ] - [ -0.0008104300000000, -0.0004423900000000, -0.0001814400000000 ] - [ 0.0004441100000000, 0.0002127300000000, 0.0008403700000000 ] - [ 0.0001822300000000, -0.0003320800000000, -0.0002253900000000 ] - [ -0.0005402300000000, -0.0036045500000000, -0.0063487600000000 ] - [ 0.0005408200000000, 0.0000113500000000, 0.0000702800000000 ] - [ 0.0006788100000000, 0.0027071000000000, 0.0015040000000000 ] - [ 0.0005535400000000, 0.0004278300000000, -0.0000625700000000 ] - [ -0.0015840100000000, 0.0011777700000000, 0.0002890300000000 ] - [ -0.0013334900000000, -0.0005215900000000, 0.0009718800000000 ] - [ -0.0001538200000000, -0.0002457800000000, -0.0001618100000000 ] - [ 0.0005556100000000, -0.0003613100000000, -0.0000269400000000 ] - [ 0.0013150300000000, 0.0008229300000000, -0.0003967500000000 ] - [ -0.0003855600000000, 0.0002833400000000, 0.0002394400000000 ] - [ -0.0010399300000000, -0.0008957900000000, -0.0000053700000000 ] - [ 0.0002254800000000, 0.0001385900000000, 0.0006018000000000 ] - [ 0.0014246500000000, -0.0000681900000000, 0.0004019600000000 ] - [ 0.0001925900000000, -0.0002413900000000, 0.0005834300000000 ] - [ 0.0000290800000000, -0.0007900200000000, 0.0007920700000000 ] - [ 0.0002416500000000, 0.0005171600000000, 0.0007601400000000 ] - [ 0.0004678700000000, 0.0002918500000000, 0.0001329700000000 ] - [ -0.0012165800000000, 0.0012775200000000, 0.0032936600000000 ] - [ 0.0003083800000000, -0.0000793600000000, -0.0001719900000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0049767700000000, -0.0077295700000000, 0.0035859300000000 ] - [ 0.0033283100000000, 0.0016506100000000, -0.0036559900000000 ] - [ -0.0000465400000000, 0.0001098400000000, -0.0001998500000000 ] - [ 0.0004364300000000, -0.0002790200000000, -0.0000771100000000 ] - [ -0.0028603200000000, -0.0034573000000000, -0.0016935500000000 ] - [ 0.0005568700000000, -0.0000744000000000, -0.0000965800000000 ] - [ 0.0020345900000000, 0.0045903400000000, 0.0034393400000000 ] - [ 0.0001547700000000, 0.0001445000000000, 0.0001903500000000 ] - [ -0.0001903600000000, 0.0001479700000000, -0.0001256000000000 ] - [ -0.0004453700000000, 0.0021752100000000, -0.0014584400000000 ] - [ 0.0001064100000000, -0.0002438000000000, 0.0001350400000000 ] - [ -0.0011828500000000, -0.0019331700000000, 0.0008154100000000 ] - [ 0.0008353500000000, 0.0003291400000000, 0.0002906100000000 ] - [ -0.0019666000000000, 0.0016578200000000, 0.0002409800000000 ] - [ 0.0170237600000000, -0.0303141400000000, -0.0077869600000000 ] - [ 0.0001157600000000, -0.0017402400000000, 0.0000235400000000 ] - [ -0.0768171900000000, 0.4854393100000000, -0.0698164300000000 ] - [ -0.0002404700000000, 0.0002923500000000, -0.0001076100000000 ] - [ -0.0074620600000000, 0.0043299900000000, -0.0028236200000000 ] - [ 0.0005835000000000, -0.0001293700000000, 0.0007538200000000 ] - [ -0.0020674900000000, 0.0021041400000000, 0.0007387700000000 ] - [ 0.0008830600000000, -0.0010294500000000, -0.0005372600000000 ] - [ -0.0004226200000000, 0.0001802500000000, -0.0000615800000000 ] - [ 0.0033825800000000, -0.0005999000000000, 0.0034945500000000 ] - [ 0.0001764500000000, -0.0038083700000000, -0.0009106600000000 ] - [ -0.0003868400000000, 0.0008369500000000, 0.0018803200000000 ] - [ 0.0068895700000000, -0.0709753600000000, 0.0114980500000000 ] - [ 0.0131896300000000, 0.0024483700000000, 0.0011642700000000 ] - [ 0.0000565200000000, -0.0000674800000000, 0.0005118600000000 ] - [ -0.0030215700000000, -0.0018347400000000, -0.0058731000000000 ] - [ -0.0001440800000000, -0.0009469100000000, 0.0009272000000000 ] - [ 0.0011167000000000, 0.0006703400000000, 0.0240826900000000 ] - [ -0.0011847800000000, -0.0007727900000000, -0.0014429100000000 ] - [ 0.0027001500000000, 0.0061309100000000, -0.0000498000000000 ] - [ -0.0010242300000000, -0.0024544400000000, 0.0011873600000000 ] - [ 0.0046109600000000, 0.0031125600000000, 0.0001207000000000 ] - [ 0.0005209100000000, 0.0005496400000000, -0.0002703900000000 ] - [ 0.0000386000000000, -0.0000621000000000, -0.0002869300000000 ] - [ 0.0001596600000000, -0.0000734200000000, 0.0005157900000000 ] - [ 0.0001476200000000, 0.0005427800000000, 0.0012551000000000 ] - [ 0.0005469000000000, 0.0015069900000000, 0.0020479900000000 ] - [ 0.0016508900000000, -0.0367153900000000, 0.0197795900000000 ] - [ -0.0034548700000000, 0.0017084000000000, 0.0003169400000000 ] - [ -0.0044566000000000, 0.0030088400000000, -0.0033436500000000 ] - [ -0.0005352700000000, 0.0042931300000000, -0.0151929900000000 ] - [ -0.0007691900000000, 0.0001477300000000, 0.0003461700000000 ] - [ -0.0242932000000000, -0.0365773900000000, 0.0091263900000000 ] - [ -0.0003284700000000, -0.0003593300000000, -0.0000319600000000 ] - [ 0.0015591700000000, -0.0010880000000000, 0.0003746200000000 ] - [ -0.0025314600000000, -0.0012640300000000, -0.0016926000000000 ] - [ 0.0005314500000000, -0.0006922400000000, -0.0011339300000000 ] - [ 0.0003052900000000, -0.0001090800000000, -0.0002546900000000 ] - [ 0.0002945600000000, -0.0025537400000000, -0.0013691200000000 ] - [ -0.0000118000000000, 0.0009793400000000, 0.0009296300000000 ] - [ 0.0057380400000000, 0.0217125600000000, -0.0009653300000000 ] - [ -0.0001337300000000, 0.0004972500000000, -0.0001827400000000 ] - [ 0.0001350000000000, -0.0004873800000000, 0.0006702000000000 ] - [ 0.0012740100000000, -0.0072093200000000, -0.0000987000000000 ] - [ 0.1219008800000000, -0.1947159400000000, 0.0832563500000000 ] - [ -0.0003229000000000, 0.0012709700000000, -0.0000772300000000 ] - [ 0.0014328500000000, 0.0010694300000000, 0.0017233100000000 ] - [ 0.0012904500000000, 0.0002853300000000, 0.0002856700000000 ] - [ -0.0147726500000000, 0.0103978600000000, -0.0003416500000000 ] - [ -0.0030842700000000, -0.0012374500000000, -0.0014729700000000 ] - [ 0.0003433300000000, -0.0014334200000000, 0.0007864600000000 ] - [ 0.0008797000000000, -0.0023453800000000, 0.0029766800000000 ] - [ 0.0004113500000000, 0.0024817400000000, 0.0016668500000000 ] - [ 0.0004740700000000, 0.0016910100000000, -0.0014364500000000 ] - [ 0.0001926700000000, 0.0002170400000000, 0.0001340600000000 ] - [ -0.0322027300000000, -0.1545125100000000, -0.0567121700000000 ] - [ 0.0000288700000000, -0.0000462700000000, 0.0000842900000000 ] - [ -0.0001008300000000, 0.0004816100000000, -0.0007128000000000 ] - [ 0.0003483000000000, -0.0008213900000000, -0.0000005000000000 ] - [ -0.0015238400000000, -0.0005791100000000, -0.0003107300000000 ] - [ -0.0001015200000000, -0.0003843700000000, -0.0006890500000000 ] - [ -0.0051329400000000, -0.0023343000000000, 0.0025898200000000 ] - [ -0.0000699900000000, 0.0002379100000000, 0.0003623100000000 ] - [ -0.0017199200000000, 0.0048127500000000, 0.0011789900000000 ] - [ -0.0002020600000000, 0.0004390000000000, 0.0000830200000000 ] - [ -0.0006664800000000, -0.0007606500000000, -0.0018209700000000 ] - [ -0.0001806500000000, 0.0002930500000000, -0.0007121500000000 ] - [ 0.0015334300000000, 0.0036151900000000, 0.0062882200000000 ] - [ 0.0000062200000000, 0.0003340000000000, 0.0000571800000000 ] - [ -0.0008925800000000, -0.0021538100000000, -0.0005170900000000 ] - [ -0.0000077000000000, -0.0000812100000000, -0.0000681300000000 ] - [ 0.0011710400000000, -0.0011701800000000, 0.0000791800000000 ] - [ 0.0011087000000000, -0.0000225600000000, 0.0000095700000000 ] - [ -0.0002622600000000, 0.0002440400000000, -0.0002057300000000 ] - [ -0.0000097900000000, 0.0000156700000000, -0.0001011100000000 ] - [ -0.0013105600000000, -0.0007809500000000, -0.0005431900000000 ] - [ 0.0003895600000000, -0.0002823400000000, -0.0002619700000000 ] - [ 0.0004936800000000, 0.0005516600000000, -0.0001186400000000 ] - [ -0.0002237400000000, -0.0001797800000000, 0.0003380400000000 ] - [ -0.0014172300000000, 0.0000684500000000, -0.0003769700000000 ] - [ 0.0000337200000000, -0.0003051400000000, 0.0003990300000000 ] - [ -0.0002526500000000, 0.0013355600000000, -0.0017687700000000 ] - [ -0.0000155500000000, 0.0000311100000000, 0.0002253400000000 ] - [ -0.0000531900000000, -0.0002900800000000, 0.0002372500000000 ] - [ 0.0022515800000000, -0.0012306100000000, -0.0032190400000000 ] - [ 0.0001069300000000, 0.0000786900000000, -0.0001974400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0028044800000000, -0.0041674700000000, 0.0010978100000000 ] - [ -0.0032551800000000, 0.0028832100000000, 0.0058431000000000 ] - [ -0.0003341500000000, -0.0000440700000000, -0.0001755800000000 ] - [ -0.0001253600000000, 0.0000845100000000, -0.0000724500000000 ] - [ 0.0006871000000000, 0.0005949300000000, 0.0012625100000000 ] - [ 0.0000061700000000, 0.0000423200000000, 0.0002783000000000 ] - [ 0.0062337100000000, -0.0019925900000000, 0.0050263400000000 ] - [ -0.0001891800000000, 0.0000018900000000, 0.0004150700000000 ] - [ 0.0002425700000000, 0.0001877800000000, -0.0001451900000000 ] - [ -0.0070098900000000, 0.0036170600000000, 0.0048503100000000 ] - [ 0.0002047900000000, -0.0001858100000000, -0.0001504800000000 ] - [ -0.0014946800000000, -0.0014150900000000, -0.0000860600000000 ] - [ 0.0006112200000000, 0.0001246600000000, 0.0021957100000000 ] - [ -0.0028239100000000, 0.0008791000000000, 0.0109530200000000 ] - [ 0.0047989600000000, -0.0043140300000000, -0.0131543900000000 ] - [ -0.0009376200000000, -0.0007442200000000, -0.0022228000000000 ] - [ -0.0243145900000000, 0.0638954000000000, -0.4190677400000000 ] - [ -0.0000056000000000, 0.0000498900000000, -0.0003278100000000 ] - [ -0.0092353900000000, 0.0033856900000000, -0.0086390200000000 ] - [ -0.0001875400000000, -0.0000210900000000, 0.0011353000000000 ] - [ 0.0019511200000000, 0.0005141500000000, -0.0000478800000000 ] - [ 0.0002411700000000, 0.0000382400000000, 0.0023698700000000 ] - [ -0.0006441200000000, -0.0005182700000000, 0.0030408800000000 ] - [ 0.0020967400000000, -0.0002130300000000, 0.0025417700000000 ] - [ 0.0000772000000000, -0.0003335500000000, 0.0047476500000000 ] - [ -0.0003867100000000, -0.0024826000000000, 0.0096018100000000 ] - [ -0.0056995300000000, 0.0107999600000000, -0.0262954200000000 ] - [ -0.0022073100000000, 0.0005875700000000, -0.0058402000000000 ] - [ -0.0003200200000000, 0.0000631000000000, 0.0009607500000000 ] - [ -0.0002137900000000, 0.0063663800000000, 0.0043197500000000 ] - [ -0.0006757700000000, -0.0003546200000000, 0.0019645200000000 ] - [ 0.0045634000000000, -0.0508977000000000, 0.0451190300000000 ] - [ 0.0050811800000000, 0.0004281700000000, 0.0007155400000000 ] - [ -0.0005122500000000, 0.0005208600000000, -0.0036644500000000 ] - [ 0.0005637100000000, -0.0017597800000000, -0.0020091600000000 ] - [ 0.0146636100000000, -0.0009589700000000, -0.0045238800000000 ] - [ -0.0005203000000000, 0.0003032600000000, -0.0009372500000000 ] - [ -0.0002903100000000, -0.0002871200000000, -0.0008328600000000 ] - [ -0.0003729300000000, -0.0000593000000000, 0.0009962800000000 ] - [ -0.0008323500000000, 0.0006797800000000, 0.0024279100000000 ] - [ -0.0000497200000000, -0.0001167300000000, -0.0029094400000000 ] - [ -0.0089326100000000, -0.0127635800000000, 0.2084897300000000 ] - [ 0.0009039700000000, -0.0001188300000000, 0.0009281900000000 ] - [ -0.0025143200000000, 0.0007457400000000, -0.0011882400000000 ] - [ 0.0016654600000000, 0.0166317400000000, 0.0159799600000000 ] - [ -0.0000969400000000, -0.0003508100000000, -0.0009760800000000 ] - [ -0.0395931400000000, -0.0094661700000000, 0.0439607100000000 ] - [ 0.0001558700000000, 0.0002478600000000, -0.0012026900000000 ] - [ -0.0011456700000000, -0.0005052900000000, -0.0028018800000000 ] - [ -0.0017909400000000, 0.0013402000000000, 0.0039812900000000 ] - [ 0.0002868200000000, 0.0007790900000000, -0.0036427300000000 ] - [ 0.0003922000000000, -0.0000367600000000, -0.0005834600000000 ] - [ -0.0005562500000000, 0.0002136200000000, -0.0064769600000000 ] - [ -0.0009880100000000, 0.0000797400000000, -0.0011235500000000 ] - [ 0.0000390800000000, -0.0033737600000000, 0.0033698400000000 ] - [ 0.0000090500000000, 0.0002399800000000, -0.0010063600000000 ] - [ -0.0009214900000000, -0.0001237600000000, -0.0014570500000000 ] - [ 0.0030077500000000, -0.0027459900000000, 0.0014821200000000 ] - [ 0.0574137200000000, -0.0741332800000000, 0.0774505900000000 ] - [ -0.0002555000000000, -0.0002201600000000, -0.0022390900000000 ] - [ -0.0030048300000000, -0.0017984600000000, -0.0012137200000000 ] - [ 0.0042432600000000, 0.0009781100000000, 0.0003998900000000 ] - [ 0.0048415400000000, -0.0034441300000000, 0.0047556900000000 ] - [ -0.0141303200000000, 0.0072594000000000, -0.0069820500000000 ] - [ 0.0000109700000000, -0.0014444100000000, -0.0062817200000000 ] - [ -0.0014811200000000, -0.0023527400000000, 0.0081894500000000 ] - [ 0.0000345700000000, -0.0001560200000000, -0.0027590300000000 ] - [ 0.0003542900000000, 0.0006253200000000, -0.0029709200000000 ] - [ 0.0007987600000000, 0.0001064100000000, -0.0001553800000000 ] - [ 0.0174332300000000, 0.0544243500000000, 0.0640224200000000 ] - [ 0.0004568300000000, -0.0003136800000000, 0.0005397700000000 ] - [ 0.0001004500000000, 0.0004376500000000, -0.0010299700000000 ] - [ 0.0011265000000000, -0.0005821100000000, -0.0017531600000000 ] - [ -0.0036623500000000, -0.0001974400000000, -0.0006458100000000 ] - [ 0.0001185700000000, -0.0004222000000000, -0.0010447700000000 ] - [ 0.0001385700000000, -0.0022584100000000, 0.0038311500000000 ] - [ 0.0004429700000000, 0.0001399800000000, 0.0002013700000000 ] - [ -0.0014937400000000, 0.0025341500000000, 0.0023744700000000 ] - [ -0.0019724300000000, -0.0000171100000000, 0.0011826400000000 ] - [ -0.0004435900000000, -0.0006436700000000, -0.0021710400000000 ] - [ -0.0000608700000000, 0.0002177300000000, -0.0001998500000000 ] - [ 0.0038412400000000, -0.0043122400000000, 0.0029887100000000 ] - [ 0.0003726500000000, 0.0003621200000000, 0.0004842300000000 ] - [ -0.0013203800000000, 0.0000347100000000, 0.0016241800000000 ] - [ 0.0001329000000000, 0.0000395700000000, -0.0003466300000000 ] - [ 0.0010063200000000, 0.0006886300000000, 0.0016434900000000 ] - [ -0.0006934200000000, -0.0002315800000000, 0.0011902000000000 ] - [ 0.0003054400000000, -0.0001122200000000, -0.0008464600000000 ] - [ 0.0001179100000000, -0.0000529600000000, -0.0003319600000000 ] - [ 0.0003531700000000, 0.0000398800000000, -0.0000659600000000 ] - [ -0.0005721500000000, -0.0000425100000000, -0.0001759200000000 ] - [ 0.0009558200000000, 0.0005943600000000, -0.0011420000000000 ] - [ 0.0005169500000000, -0.0001915700000000, 0.0001482800000000 ] - [ -0.0006188000000000, 0.0000081500000000, -0.0003208000000000 ] - [ 0.0001092500000000, -0.0002930300000000, 0.0006720600000000 ] - [ -0.0002623900000000, 0.0007455400000000, -0.0019996900000000 ] - [ 0.0001747200000000, 0.0002562400000000, 0.0007087400000000 ] - [ 0.0001799500000000, 0.0000339000000000, 0.0004684300000000 ] - [ 0.0076768000000000, 0.0077249300000000, -0.0163332600000000 ] - [ 0.0002137800000000, -0.0000060700000000, -0.0003606300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0027937200000000, 0.0041499700000000, -0.0013764200000000 ] - [ 0.0032122400000000, -0.0028441700000000, -0.0055660400000000 ] - [ 0.0003350800000000, 0.0000445000000000, -0.0000717800000000 ] - [ 0.0001248000000000, -0.0000846700000000, 0.0003256100000000 ] - [ -0.0011719000000000, -0.0005939500000000, -0.0012750900000000 ] - [ 0.0004789600000000, -0.0000425500000000, -0.0002830200000000 ] - [ -0.0066357400000000, 0.0019749000000000, -0.0050110100000000 ] - [ 0.0006751700000000, -0.0000024100000000, -0.0004218200000000 ] - [ -0.0007292100000000, -0.0001882900000000, 0.0001487400000000 ] - [ 0.0075303200000000, -0.0036227100000000, -0.0048747300000000 ] - [ -0.0006910500000000, 0.0001859500000000, 0.0001537400000000 ] - [ 0.0019878200000000, 0.0014138900000000, 0.0000894100000000 ] - [ -0.0006217500000000, -0.0001235300000000, -0.0021960700000000 ] - [ 0.0028516600000000, -0.0008544700000000, -0.0109308900000000 ] - [ -0.0048169700000000, 0.0043319800000000, 0.0131784900000000 ] - [ 0.0009497300000000, 0.0007539900000000, 0.0022354200000000 ] - [ 0.0214588100000000, -0.0658563600000000, 0.4371506500000000 ] - [ -0.0006264200000000, -0.0000505600000000, -0.0005003100000000 ] - [ 0.0097468400000000, -0.0029733700000000, 0.0094133200000000 ] - [ -0.0004420800000000, 0.0000209600000000, -0.0003217900000000 ] - [ -0.0013092400000000, -0.0005143300000000, -0.0007980500000000 ] - [ 0.0002100000000000, 0.0003803400000000, -0.0031006700000000 ] - [ 0.0010750100000000, 0.0000932300000000, -0.0037693800000000 ] - [ -0.0014638000000000, 0.0002094700000000, -0.0017343200000000 ] - [ -0.0005457800000000, 0.0007422600000000, -0.0054794100000000 ] - [ -0.0000996400000000, 0.0020226300000000, -0.0103104900000000 ] - [ 0.0052453500000000, -0.0112818100000000, 0.0271376500000000 ] - [ 0.0026856800000000, -0.0010276800000000, 0.0065904900000000 ] - [ -0.0001412200000000, 0.0003567400000000, -0.0002332000000000 ] - [ -0.0004244900000000, -0.0063884100000000, -0.0051393400000000 ] - [ 0.0011448600000000, 0.0007745700000000, -0.0012385900000000 ] - [ -0.0051579500000000, 0.0510206500000000, -0.0447376300000000 ] - [ -0.0044703300000000, -0.0004317800000000, -0.0015269300000000 ] - [ 0.0009546200000000, -0.0001003600000000, 0.0029362500000000 ] - [ -0.0001123400000000, 0.0013405700000000, 0.0012763700000000 ] - [ -0.0140702900000000, 0.0009690300000000, 0.0053764600000000 ] - [ 0.0000592700000000, 0.0001143500000000, 0.0002078100000000 ] - [ -0.0001717300000000, -0.0001309400000000, 0.0001026200000000 ] - [ -0.0000873800000000, -0.0003611500000000, -0.0002688900000000 ] - [ 0.0013056500000000, -0.0011043100000000, -0.0016995900000000 ] - [ 0.0005899700000000, -0.0002318400000000, 0.0030395400000000 ] - [ 0.0101149800000000, 0.0154267900000000, -0.2249528000000000 ] - [ -0.0014541500000000, 0.0004684100000000, -0.0010596000000000 ] - [ 0.0014887700000000, -0.0007439200000000, 0.0012949500000000 ] - [ -0.0014397900000000, -0.0172488800000000, -0.0170174600000000 ] - [ -0.0004397500000000, 0.0000078000000000, 0.0011106100000000 ] - [ 0.0398074400000000, 0.0095334800000000, -0.0435738400000000 ] - [ -0.0006879700000000, 0.0000935600000000, 0.0013353300000000 ] - [ 0.0000994100000000, 0.0005001500000000, 0.0027249100000000 ] - [ 0.0015665700000000, -0.0018868800000000, -0.0049866200000000 ] - [ -0.0002610600000000, -0.0008177700000000, 0.0027048600000000 ] - [ 0.0006390900000000, 0.0000367900000000, 0.0005000800000000 ] - [ 0.0010840800000000, 0.0001357800000000, 0.0065501400000000 ] - [ 0.0007677400000000, 0.0004649200000000, 0.0021079100000000 ] - [ 0.0005117600000000, 0.0037679900000000, -0.0035111500000000 ] - [ -0.0004135400000000, -0.0002359100000000, 0.0013818100000000 ] - [ 0.0007044700000000, -0.0004173200000000, 0.0024359000000000 ] - [ -0.0034519900000000, 0.0027837800000000, -0.0018519000000000 ] - [ -0.0560315200000000, 0.0727021800000000, -0.0782714400000000 ] - [ 0.0002643500000000, 0.0002673000000000, 0.0013108300000000 ] - [ 0.0030208800000000, 0.0018070900000000, 0.0011950700000000 ] - [ -0.0048470900000000, -0.0013449300000000, -0.0005250500000000 ] - [ -0.0048687700000000, 0.0034190700000000, -0.0038329400000000 ] - [ 0.0141368500000000, -0.0072660800000000, 0.0070041000000000 ] - [ 0.0002184600000000, 0.0009140600000000, 0.0072574100000000 ] - [ 0.0012561000000000, 0.0029012300000000, -0.0092238000000000 ] - [ 0.0001917700000000, 0.0007039700000000, 0.0037451900000000 ] - [ 0.0000587300000000, -0.0006062000000000, 0.0033429600000000 ] - [ 0.0002257300000000, -0.0001075400000000, 0.0002495700000000 ] - [ -0.0166779900000000, -0.0532212500000000, -0.0645657500000000 ] - [ 0.0000839500000000, -0.0000290100000000, -0.0004115600000000 ] - [ 0.0001250100000000, 0.0001051600000000, 0.0000486600000000 ] - [ -0.0016807600000000, 0.0009277600000000, 0.0016193900000000 ] - [ 0.0026377700000000, 0.0001962600000000, 0.0007290700000000 ] - [ 0.0001067300000000, -0.0001202100000000, 0.0000614300000000 ] - [ -0.0006713200000000, 0.0019179900000000, -0.0037186400000000 ] - [ -0.0004461300000000, -0.0000915000000000, 0.0007262700000000 ] - [ 0.0009629600000000, -0.0022052600000000, -0.0022562200000000 ] - [ 0.0009503700000000, 0.0000174000000000, -0.0012834800000000 ] - [ 0.0002134600000000, 0.0001043600000000, 0.0011909000000000 ] - [ 0.0000650700000000, -0.0002663000000000, -0.0007273200000000 ] - [ -0.0028288700000000, 0.0043333500000000, -0.0031023100000000 ] - [ 0.0001684600000000, -0.0000208800000000, -0.0003571900000000 ] - [ 0.0010989400000000, 0.0005124900000000, -0.0006279800000000 ] - [ 0.0004118700000000, 0.0003048200000000, 0.0002133000000000 ] - [ -0.0014124700000000, -0.0006892000000000, -0.0012756700000000 ] - [ 0.0004702000000000, -0.0003149600000000, -0.0001980200000000 ] - [ -0.0007199900000000, 0.0001139000000000, 0.0004743500000000 ] - [ 0.0004268300000000, -0.0002914600000000, 0.0002011500000000 ] - [ -0.0003506200000000, 0.0000094300000000, -0.0008626000000000 ] - [ 0.0005688600000000, 0.0000425700000000, 0.0001640900000000 ] - [ -0.0015057900000000, -0.0009431600000000, 0.0010100800000000 ] - [ -0.0005222200000000, 0.0001439700000000, 0.0007815300000000 ] - [ 0.0006173800000000, -0.0000077500000000, 0.0003406300000000 ] - [ 0.0001159400000000, -0.0002520800000000, 0.0003136400000000 ] - [ 0.0000352200000000, -0.0002024100000000, 0.0010220000000000 ] - [ 0.0000497800000000, 0.0002891900000000, 0.0002791600000000 ] - [ 0.0002305100000000, -0.0000336800000000, -0.0000974400000000 ] - [ -0.0066079400000000, -0.0076850000000000, 0.0163775500000000 ] - [ 0.0001969800000000, 0.0000061900000000, -0.0000111700000000 ]- atom: 18 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0017615400000000, 0.0000000000000000, -0.0002988700000000 ] - [ 0.0027248500000000, 0.0000000000000000, 0.0000629700000000 ] - [ -0.0025943800000000, 0.0000000000000000, -0.0010728100000000 ] - [ -0.0018273600000000, 0.0000000000000000, 0.0002824100000000 ] - [ 0.0024159000000000, -0.0015188700000000, -0.0002934700000000 ] - [ 0.0054908100000000, 0.0115029300000000, -0.0003114300000000 ] - [ 0.0024159000000000, 0.0015188700000000, -0.0002934700000000 ] - [ 0.0054908100000000, -0.0115029300000000, -0.0003114300000000 ] - [ -0.0005366100000000, -0.0005398300000000, 0.0005436300000000 ] - [ 0.0013784900000000, 0.0001379300000000, 0.0001199800000000 ] - [ -0.0005366100000000, 0.0005398300000000, 0.0005436300000000 ] - [ 0.0013784900000000, -0.0001379300000000, 0.0001199800000000 ] - [ 0.0128195700000000, 0.0000000000000000, 0.0288649900000000 ] - [ 0.0075454600000000, 0.0000000000000000, -0.0067860900000000 ] - [ 0.0046522500000000, 0.0000000000000000, 0.0012735500000000 ] - [ -0.0021962100000000, 0.0000000000000000, -0.0018451700000000 ] - [ 0.0051197400000000, 0.0001332500000000, 0.0006716800000000 ] - [ -0.5213663100000000, 0.0000000000000000, -0.0701452100000000 ] - [ 0.0051629800000000, -0.0021847700000000, -0.0012793200000000 ] - [ -0.0097844700000000, 0.0000000000000000, -0.0010803900000000 ] - [ 0.0684800200000000, 0.0000000000000000, 0.0145127400000000 ] - [ 0.0059830400000000, 0.0032843200000000, 0.0014191200000000 ] - [ 0.0059830400000000, -0.0032843200000000, 0.0014191200000000 ] - [ -0.0025057600000000, 0.0000000000000000, 0.0021163100000000 ] - [ 0.0051810400000000, -0.0006919300000000, -0.0004907600000000 ] - [ 0.0051810400000000, 0.0006919300000000, -0.0004907600000000 ] - [ 0.0051197400000000, -0.0001332500000000, 0.0006716800000000 ] - [ 0.0051629800000000, 0.0021847700000000, -0.0012793200000000 ] - [ -0.0098045300000000, 0.0028995700000000, 0.0004626800000000 ] - [ 0.0037739600000000, 0.0000000000000000, -0.0001166800000000 ] - [ -0.0024505200000000, -0.0012780600000000, -0.0044075300000000 ] - [ 0.0045265400000000, 0.0000000000000000, 0.0003878900000000 ] - [ 0.0030006300000000, 0.0000000000000000, 0.0012403600000000 ] - [ -0.0045645900000000, 0.0044915400000000, 0.0139599500000000 ] - [ -0.0045645900000000, -0.0044915400000000, 0.0139599500000000 ] - [ 0.0051317100000000, 0.0000000000000000, 0.0011458900000000 ] - [ -0.0079074900000000, -0.0012014100000000, -0.0052133300000000 ] - [ -0.0079074900000000, 0.0012014100000000, -0.0052133300000000 ] - [ -0.0098045300000000, -0.0028995700000000, 0.0004626800000000 ] - [ -0.0024505200000000, 0.0012780600000000, -0.0044075300000000 ] - [ -0.0031898800000000, 0.0016351000000000, 0.0005807300000000 ] - [ -0.0015518000000000, 0.0003896600000000, -0.0005598800000000 ] - [ -0.0016206800000000, -0.0011467600000000, 0.0014900200000000 ] - [ -0.0014823300000000, 0.0000000000000000, -0.0008630600000000 ] - [ -0.0015518000000000, -0.0003896600000000, -0.0005598800000000 ] - [ -0.0056452000000000, -0.0045081400000000, -0.0019472200000000 ] - [ -0.0046637800000000, 0.0004027300000000, 0.0006030000000000 ] - [ -0.0056452000000000, 0.0045081400000000, -0.0019472200000000 ] - [ -0.0153313200000000, 0.0000000000000000, 0.0059133100000000 ] - [ -0.0014197700000000, -0.0007222900000000, -0.0002639800000000 ] - [ -0.0054436700000000, 0.0003269700000000, -0.0006626000000000 ] - [ 0.1920795200000000, 0.0000000000000000, 0.1382120000000000 ] - [ -0.0031898800000000, -0.0016351000000000, 0.0005807300000000 ] - [ -0.0014094900000000, -0.0007240500000000, -0.0010354100000000 ] - [ -0.0026358800000000, -0.0005178500000000, -0.0004104900000000 ] - [ -0.0018004200000000, 0.0000000000000000, -0.0002283900000000 ] - [ -0.0014094900000000, 0.0007240500000000, -0.0010354100000000 ] - [ -0.0038394900000000, 0.0000000000000000, 0.0019994500000000 ] - [ -0.0026358800000000, 0.0005178500000000, -0.0004104900000000 ] - [ -0.0054436700000000, -0.0003269700000000, -0.0006626000000000 ] - [ -0.0032595200000000, 0.0000000000000000, -0.0002613400000000 ] - [ -0.0016206800000000, 0.0011467600000000, 0.0014900200000000 ] - [ -0.0046637800000000, -0.0004027300000000, 0.0006030000000000 ] - [ -0.0041048900000000, 0.0000000000000000, -0.0001624500000000 ] - [ -0.0014671200000000, -0.0005072100000000, 0.0004432700000000 ] - [ -0.0014197700000000, 0.0007222900000000, -0.0002639800000000 ] - [ -0.0014671200000000, 0.0005072100000000, 0.0004432700000000 ] - [ -0.0017529300000000, 0.0000000000000000, 0.0004478000000000 ] - [ 0.0033835000000000, 0.0000000000000000, -0.0002044300000000 ] - [ -0.0021003200000000, 0.0000000000000000, -0.0006757300000000 ] - [ 0.0020665600000000, -0.0007726200000000, -0.0000228800000000 ] - [ 0.0051716400000000, -0.0015072200000000, -0.0002543600000000 ] - [ -0.0004897900000000, -0.0006310100000000, 0.0013770100000000 ] - [ -0.0035806700000000, 0.0000000000000000, -0.0049972700000000 ] - [ 0.0051716400000000, 0.0015072200000000, -0.0002543600000000 ] - [ -0.0008154000000000, -0.0022817800000000, -0.0025917900000000 ] - [ 0.0059196800000000, 0.0007508400000000, 0.0015046900000000 ] - [ -0.0008154000000000, 0.0022817800000000, -0.0025917900000000 ] - [ -0.0007935100000000, 0.0000000000000000, -0.0000548000000000 ] - [ 0.0000804100000000, -0.0022458100000000, 0.0013820500000000 ] - [ 0.0091979200000000, 0.0006545100000000, 0.0000937300000000 ] - [ -0.0017461100000000, 0.0000000000000000, -0.0014352700000000 ] - [ 0.0020665600000000, 0.0007726200000000, -0.0000228800000000 ] - [ -0.0088090100000000, -0.0081862800000000, -0.0139134700000000 ] - [ 0.0046544100000000, 0.0048178200000000, -0.0034165200000000 ] - [ 0.0007670000000000, 0.0000000000000000, -0.0041804200000000 ] - [ -0.0088090100000000, 0.0081862800000000, -0.0139134700000000 ] - [ 0.0005525600000000, 0.0000000000000000, 0.0011608700000000 ] - [ 0.0046544100000000, -0.0048178200000000, -0.0034165200000000 ] - [ 0.0091979200000000, -0.0006545100000000, 0.0000937300000000 ] - [ 0.2006802800000000, 0.0000000000000000, -0.0728441900000000 ] - [ -0.0004897900000000, 0.0006310100000000, 0.0013770100000000 ] - [ 0.0059196800000000, -0.0007508400000000, 0.0015046900000000 ] - [ 0.0061738400000000, 0.0000000000000000, 0.0004387500000000 ] - [ 0.0361251400000000, 0.0117392800000000, -0.0050198200000000 ] - [ 0.0000804100000000, 0.0022458100000000, 0.0013820500000000 ] - [ 0.0361251400000000, -0.0117392800000000, -0.0050198200000000 ] - [ 0.0027302000000000, 0.0000000000000000, 0.0023231800000000 ] - [ -0.0022728300000000, 0.0000000000000000, 0.0020259600000000 ] - [ 0.0025103300000000, 0.0000000000000000, -0.0002704000000000 ]- atom: 18 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0017616000000000, 0.0000000000000000, 0.0000505100000000 ] - [ -0.0027217500000000, 0.0000000000000000, 0.0001921200000000 ] - [ 0.0026045700000000, 0.0000000000000000, 0.0008179700000000 ] - [ 0.0018358700000000, 0.0000000000000000, -0.0000326400000000 ] - [ -0.0029064200000000, 0.0015202400000000, 0.0003008400000000 ] - [ -0.0049712500000000, -0.0113712300000000, 0.0003389800000000 ] - [ -0.0029064200000000, -0.0015202400000000, 0.0003008400000000 ] - [ -0.0049712500000000, 0.0113712300000000, 0.0003389800000000 ] - [ 0.0000429300000000, 0.0005422100000000, -0.0005453600000000 ] - [ -0.0008919800000000, -0.0001376000000000, -0.0001231300000000 ] - [ 0.0000429300000000, -0.0005422100000000, -0.0005453600000000 ] - [ -0.0008919800000000, 0.0001376000000000, -0.0001231300000000 ] - [ -0.0128326600000000, 0.0000000000000000, -0.0287744900000000 ] - [ -0.0075368800000000, 0.0000000000000000, 0.0067831400000000 ] - [ -0.0046531700000000, 0.0000000000000000, -0.0012766600000000 ] - [ 0.0021525800000000, 0.0000000000000000, 0.0018324500000000 ] - [ -0.0055780000000000, 0.0002855000000000, 0.0000521500000000 ] - [ 0.5279002800000000, 0.0000000000000000, 0.0530578500000000 ] - [ -0.0046926800000000, 0.0025736800000000, 0.0019821500000000 ] - [ 0.0091617400000000, 0.0000000000000000, 0.0019034500000000 ] - [ -0.0684120000000000, 0.0000000000000000, -0.0151092300000000 ] - [ -0.0055259700000000, -0.0028624600000000, -0.0021425400000000 ] - [ -0.0055259700000000, 0.0028624600000000, -0.0021425400000000 ] - [ 0.0031611600000000, 0.0000000000000000, -0.0012906600000000 ] - [ -0.0056410900000000, 0.0011096600000000, -0.0002376800000000 ] - [ -0.0056410900000000, -0.0011096600000000, -0.0002376800000000 ] - [ -0.0055780000000000, -0.0002855000000000, 0.0000521500000000 ] - [ -0.0046926800000000, -0.0025736800000000, 0.0019821500000000 ] - [ 0.0093544900000000, -0.0024946300000000, 0.0002529500000000 ] - [ -0.0044092700000000, 0.0000000000000000, -0.0007049200000000 ] - [ 0.0029274800000000, 0.0016911800000000, 0.0051448300000000 ] - [ -0.0051612100000000, 0.0000000000000000, 0.0004239900000000 ] - [ -0.0023790400000000, 0.0000000000000000, -0.0020593800000000 ] - [ 0.0050573000000000, -0.0040946400000000, -0.0147748600000000 ] - [ 0.0050573000000000, 0.0040946400000000, -0.0147748600000000 ] - [ -0.0045188600000000, 0.0000000000000000, -0.0003483700000000 ] - [ 0.0074628900000000, 0.0016777100000000, 0.0045072100000000 ] - [ 0.0074628900000000, -0.0016777100000000, 0.0045072100000000 ] - [ 0.0093544900000000, 0.0024946300000000, 0.0002529500000000 ] - [ 0.0029274800000000, -0.0016911800000000, 0.0051448300000000 ] - [ 0.0037317100000000, -0.0019774100000000, -0.0004527600000000 ] - [ 0.0017784200000000, 0.0001543700000000, -0.0004217200000000 ] - [ 0.0010808800000000, 0.0014715700000000, -0.0016075300000000 ] - [ 0.0004518500000000, 0.0000000000000000, 0.0009501000000000 ] - [ 0.0017784200000000, -0.0001543700000000, -0.0004217200000000 ] - [ 0.0051052600000000, 0.0041651800000000, 0.0020543900000000 ] - [ 0.0046585600000000, -0.0003500400000000, 0.0003293800000000 ] - [ 0.0051052600000000, -0.0041651800000000, 0.0020543900000000 ] - [ 0.0142301500000000, 0.0000000000000000, -0.0060186900000000 ] - [ 0.0011981200000000, 0.0001788800000000, -0.0007029800000000 ] - [ 0.0054456100000000, -0.0003740300000000, -0.0002690700000000 ] - [ -0.1844154600000000, 0.0000000000000000, -0.1299745600000000 ] - [ 0.0037317100000000, 0.0019774100000000, -0.0004527600000000 ] - [ 0.0011865700000000, 0.0012686800000000, 0.0020187800000000 ] - [ 0.0031807000000000, 0.0008612400000000, 0.0002801600000000 ] - [ 0.0013927900000000, 0.0000000000000000, 0.0005999100000000 ] - [ 0.0011865700000000, -0.0012686800000000, 0.0020187800000000 ] - [ 0.0033990200000000, 0.0000000000000000, -0.0023469100000000 ] - [ 0.0031807000000000, -0.0008612400000000, 0.0002801600000000 ] - [ 0.0054456100000000, 0.0003740300000000, -0.0002690700000000 ] - [ 0.0032651600000000, 0.0000000000000000, 0.0002467200000000 ] - [ 0.0010808800000000, -0.0014715700000000, -0.0016075300000000 ] - [ 0.0046585600000000, 0.0003500400000000, 0.0003293800000000 ] - [ 0.0041127300000000, 0.0000000000000000, 0.0001812700000000 ] - [ 0.0016940400000000, -0.0000384700000000, 0.0005438700000000 ] - [ 0.0011981200000000, -0.0001788800000000, -0.0007029800000000 ] - [ 0.0016940400000000, 0.0000384700000000, 0.0005438700000000 ] - [ 0.0021622200000000, 0.0000000000000000, -0.0000738400000000 ] - [ -0.0023393500000000, 0.0000000000000000, 0.0002946700000000 ] - [ 0.0025109100000000, 0.0000000000000000, 0.0003033100000000 ] - [ -0.0014994300000000, 0.0004042300000000, 0.0001253600000000 ] - [ -0.0049433400000000, 0.0020557700000000, -0.0007320000000000 ] - [ -0.0000594300000000, 0.0009751800000000, -0.0015070500000000 ] - [ 0.0025818300000000, 0.0000000000000000, 0.0051263700000000 ] - [ -0.0049433400000000, -0.0020557700000000, -0.0007320000000000 ] - [ 0.0002671600000000, 0.0019434300000000, 0.0027351200000000 ] - [ -0.0059363200000000, -0.0007006300000000, -0.0005741700000000 ] - [ 0.0002671600000000, -0.0019434300000000, 0.0027351200000000 ] - [ -0.0002225000000000, 0.0000000000000000, -0.0000382700000000 ] - [ -0.0003115200000000, 0.0017034400000000, -0.0023781400000000 ] - [ -0.0092531200000000, -0.0007015500000000, -0.0010266100000000 ] - [ 0.0027732200000000, 0.0000000000000000, 0.0013459900000000 ] - [ -0.0014994300000000, -0.0004042300000000, 0.0001253600000000 ] - [ 0.0086350600000000, 0.0087544000000000, 0.0149480400000000 ] - [ -0.0041090200000000, -0.0044829800000000, 0.0032933000000000 ] - [ -0.0011852000000000, 0.0000000000000000, 0.0045743900000000 ] - [ 0.0086350600000000, -0.0087544000000000, 0.0149480400000000 ] - [ -0.0009678700000000, 0.0000000000000000, -0.0015365000000000 ] - [ -0.0041090200000000, 0.0044829800000000, 0.0032933000000000 ] - [ -0.0092531200000000, 0.0007015500000000, -0.0010266100000000 ] - [ -0.2135131900000000, 0.0000000000000000, 0.0788768200000000 ] - [ -0.0000594300000000, -0.0009751800000000, -0.0015070500000000 ] - [ -0.0059363200000000, 0.0007006300000000, -0.0005741700000000 ] - [ -0.0061983800000000, 0.0000000000000000, -0.0004257800000000 ] - [ -0.0361628400000000, -0.0130863200000000, 0.0068315400000000 ] - [ -0.0003115200000000, -0.0017034400000000, -0.0023781400000000 ] - [ -0.0361628400000000, 0.0130863200000000, 0.0068315400000000 ] - [ -0.0023128400000000, 0.0000000000000000, -0.0020091100000000 ] - [ 0.0032978200000000, 0.0000000000000000, -0.0019301800000000 ] - [ -0.0021022100000000, 0.0000000000000000, -0.0000977000000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000010600000000, 0.0003429200000000, -0.0001256200000000 ] - [ -0.0000006000000000, -0.0001869300000000, 0.0001248500000000 ] - [ -0.0000012500000000, -0.0012882400000000, -0.0001276200000000 ] - [ -0.0000001200000000, 0.0024997900000000, 0.0001275700000000 ] - [ -0.0005563900000000, 0.0000681500000000, 0.0001780600000000 ] - [ 0.0112326500000000, 0.0059691900000000, 0.0041144200000000 ] - [ 0.0000731500000000, 0.0000757100000000, -0.0001792700000000 ] - [ -0.0106152700000000, 0.0059434700000000, -0.0041059900000000 ] - [ -0.0009522100000000, -0.0001752400000000, 0.0006899600000000 ] - [ 0.0004372900000000, -0.0000250100000000, 0.0001219600000000 ] - [ 0.0004706500000000, -0.0001760800000000, -0.0006865900000000 ] - [ 0.0000463300000000, -0.0000262700000000, -0.0001208800000000 ] - [ -0.0000126000000000, -0.0027797600000000, -0.0000310600000000 ] - [ 0.0000032900000000, -0.0005784400000000, -0.0000108200000000 ] - [ -0.0000011700000000, 0.0017895900000000, -0.0000035100000000 ] - [ 0.0000056200000000, 0.0119358800000000, -0.0000298000000000 ] - [ -0.0004260300000000, -0.0000828100000000, 0.0004149900000000 ] - [ -0.0014176100000000, -0.3616957100000000, 0.0068743000000000 ] - [ -0.0018896100000000, -0.0018899800000000, 0.0008792300000000 ] - [ -0.0003246400000000, 0.0207993800000000, 0.0003783300000000 ] - [ 0.0003843800000000, -0.0060754300000000, -0.0004060800000000 ] - [ 0.0007299800000000, 0.0008046900000000, -0.0001526600000000 ] - [ -0.0002640000000000, 0.0003955500000000, -0.0005748900000000 ] - [ 0.0002790300000000, 0.0030688500000000, 0.0004183200000000 ] - [ -0.0001727200000000, 0.0003384700000000, -0.0003439400000000 ] - [ -0.0002868700000000, -0.0000782300000000, -0.0003860400000000 ] - [ -0.0000339500000000, -0.0005038900000000, 0.0003147900000000 ] - [ 0.0023493300000000, -0.0023275700000000, -0.0001491400000000 ] - [ -0.0000120800000000, 0.0020234200000000, 0.0068040700000000 ] - [ -0.0003167000000000, 0.0001466600000000, -0.0004100200000000 ] - [ -0.0012853000000000, 0.0009800700000000, 0.0007981100000000 ] - [ -0.0003166100000000, -0.0002854900000000, 0.0004102800000000 ] - [ 0.0003186000000000, 0.0004341500000000, -0.0004091700000000 ] - [ 0.0092491000000000, -0.0029117300000000, 0.0006116800000000 ] - [ -0.0087991000000000, -0.0033495000000000, -0.0013164400000000 ] - [ 0.0003156400000000, -0.0010798900000000, 0.0004105600000000 ] - [ 0.0008443800000000, -0.0006190400000000, 0.0505347400000000 ] - [ -0.0012669500000000, -0.0009138200000000, -0.0513835900000000 ] - [ -0.0004571700000000, 0.0016644900000000, -0.0059513500000000 ] - [ 0.0017238800000000, 0.0005736100000000, -0.0000617700000000 ] - [ 0.0003066700000000, -0.0001221600000000, 0.0000228000000000 ] - [ 0.0001194100000000, 0.0004171000000000, -0.0005970900000000 ] - [ -0.0023692300000000, -0.0010776900000000, 0.0007881700000000 ] - [ -0.0005047400000000, -0.0008033400000000, 0.0000500700000000 ] - [ 0.0001068200000000, -0.0001249600000000, -0.0003891100000000 ] - [ -0.0004671400000000, 0.0003820200000000, -0.0004172700000000 ] - [ 0.0006096800000000, 0.0003802700000000, 0.0004709600000000 ] - [ -0.0000724300000000, 0.0007061800000000, 0.0005499700000000 ] - [ -0.0005477900000000, 0.0000549900000000, -0.0000350300000000 ] - [ -0.0005197100000000, 0.0004625300000000, -0.0000305100000000 ] - [ 0.0001391700000000, -0.0001167700000000, -0.0004440100000000 ] - [ -0.0001666400000000, 0.0370581300000000, -0.0007195900000000 ] - [ 0.0002345400000000, 0.0002157400000000, 0.0001091600000000 ] - [ -0.0002383000000000, 0.0000225700000000, 0.0003986200000000 ] - [ 0.0003329900000000, 0.0000058300000000, -0.0000521900000000 ] - [ -0.0002085700000000, -0.0005434200000000, 0.0001842400000000 ] - [ 0.0000106400000000, -0.0005215500000000, 0.0005875600000000 ] - [ -0.0002002700000000, 0.0018559700000000, -0.0001890500000000 ] - [ 0.0002099400000000, -0.0003377600000000, -0.0000799800000000 ] - [ -0.0001408500000000, -0.0000655900000000, -0.0004846900000000 ] - [ -0.0000003300000000, -0.0000864300000000, -0.0000089200000000 ] - [ 0.0018177300000000, -0.0014287000000000, -0.0009117100000000 ] - [ -0.0006107400000000, 0.0003341400000000, 0.0004575200000000 ] - [ 0.0000005500000000, 0.0001854000000000, 0.0000083800000000 ] - [ 0.0001087800000000, -0.0003414800000000, 0.0005290300000000 ] - [ 0.0002934700000000, 0.0010010700000000, -0.0009542700000000 ] - [ 0.0001177800000000, 0.0002015900000000, 0.0004568900000000 ] - [ 0.0002052600000000, -0.0001381100000000, 0.0001863300000000 ] - [ 0.0004958400000000, -0.0093168100000000, 0.0000688500000000 ] - [ 0.0002043900000000, 0.0003505100000000, -0.0001864800000000 ] - [ 0.0042462500000000, -0.0074031400000000, -0.0089986100000000 ] - [ -0.0001024100000000, -0.0069549600000000, -0.0048367500000000 ] - [ -0.0006946900000000, 0.0003907200000000, -0.0001347700000000 ] - [ -0.0005118800000000, 0.0006786800000000, 0.0000510800000000 ] - [ 0.0003223900000000, -0.0074542100000000, 0.0037523000000000 ] - [ -0.0024331400000000, -0.0010974200000000, -0.0000289500000000 ] - [ 0.0010396900000000, -0.0002801000000000, -0.0003736000000000 ] - [ 0.0018903100000000, -0.0007489600000000, 0.0001557400000000 ] - [ -0.0005147100000000, -0.0010481400000000, -0.0000431600000000 ] - [ -0.0006310200000000, -0.0010961800000000, -0.0004635800000000 ] - [ 0.0096377900000000, -0.0004366100000000, 0.0089210700000000 ] - [ 0.0005141200000000, -0.0002178700000000, -0.0000453000000000 ] - [ -0.0036751700000000, -0.0070176500000000, 0.0090707700000000 ] - [ -0.0026255100000000, 0.0029182400000000, 0.0022697000000000 ] - [ 0.0009281000000000, 0.0008991100000000, 0.0005958800000000 ] - [ -0.0002056100000000, 0.0041336500000000, 0.0001819500000000 ] - [ 0.0023730100000000, 0.0024202700000000, -0.0013263800000000 ] - [ -0.0002022900000000, -0.0010109100000000, -0.0001879600000000 ] - [ -0.0003992600000000, 0.0005935300000000, -0.0007372300000000 ] - [ -0.0096415100000000, -0.0003890800000000, -0.0098497000000000 ] - [ 0.0006778300000000, 0.0283703000000000, -0.0002831300000000 ] - [ 0.0001594500000000, 0.0000599200000000, 0.0000042200000000 ] - [ -0.0010165100000000, -0.0003416900000000, 0.0012862400000000 ] - [ 0.0000280600000000, -0.0048136200000000, 0.0000090200000000 ] - [ 0.0130472700000000, 0.1422330200000000, -0.0766010700000000 ] - [ 0.0004208300000000, -0.0005426100000000, -0.0005306700000000 ] - [ -0.0118796200000000, 0.1365112000000000, 0.0714920000000000 ] - [ 0.0002075700000000, 0.0234941100000000, 0.0002067800000000 ] - [ 0.0005138900000000, 0.0001318200000000, 0.0000459000000000 ] - [ 0.0002044200000000, -0.0033956700000000, -0.0002104100000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002913200000000, 0.0000000000000000, -0.0009585800000000 ] - [ 0.0008336200000000, 0.0000000000000000, -0.0006946700000000 ] - [ -0.0000788500000000, 0.0000000000000000, 0.0046692500000000 ] - [ 0.0011989900000000, 0.0000000000000000, 0.0027966700000000 ] - [ -0.0004323800000000, 0.0004097900000000, -0.0007453500000000 ] - [ -0.0004433100000000, 0.0043321000000000, -0.0085301200000000 ] - [ -0.0004323800000000, -0.0004097900000000, -0.0007453500000000 ] - [ -0.0004433100000000, -0.0043321000000000, -0.0085301200000000 ] - [ -0.0013442600000000, -0.0001269700000000, 0.0031932700000000 ] - [ 0.0005554600000000, 0.0000133100000000, 0.0007690200000000 ] - [ -0.0013442600000000, 0.0001269700000000, 0.0031932700000000 ] - [ 0.0005554600000000, -0.0000133100000000, 0.0007690200000000 ] - [ 0.0182154800000000, 0.0000000000000000, 0.0293560400000000 ] - [ -0.0015817300000000, 0.0000000000000000, 0.0022762000000000 ] - [ 0.0018799300000000, 0.0000000000000000, -0.0011450400000000 ] - [ -0.0090140000000000, 0.0000000000000000, -0.0010532700000000 ] - [ -0.0006305200000000, -0.0000923100000000, 0.0004521000000000 ] - [ -0.0656141300000000, 0.0000000000000000, -0.4743555200000000 ] - [ -0.0031137100000000, -0.0009405500000000, 0.0007453700000000 ] - [ 0.0011737600000000, 0.0000000000000000, -0.0175684500000000 ] - [ -0.0144865100000000, 0.0000000000000000, -0.0165430000000000 ] - [ 0.0032992100000000, 0.0032973600000000, 0.0017705000000000 ] - [ 0.0032992100000000, -0.0032973600000000, 0.0017705000000000 ] - [ 0.0020199800000000, 0.0000000000000000, -0.0039947400000000 ] - [ 0.0006104300000000, 0.0005541400000000, 0.0003628300000000 ] - [ 0.0006104300000000, -0.0005541400000000, 0.0003628300000000 ] - [ -0.0006305200000000, 0.0000923100000000, 0.0004521000000000 ] - [ -0.0031137100000000, 0.0009405500000000, 0.0007453700000000 ] - [ -0.0025866500000000, 0.0056578000000000, 0.0051075700000000 ] - [ -0.0000229800000000, 0.0000000000000000, 0.0010772400000000 ] - [ -0.0020177100000000, 0.0012385000000000, 0.0014805200000000 ] - [ -0.0002985300000000, 0.0000000000000000, 0.0016028300000000 ] - [ -0.0013338100000000, 0.0000000000000000, 0.0039764600000000 ] - [ 0.0122328400000000, -0.0000804500000000, -0.0053069400000000 ] - [ 0.0122328400000000, 0.0000804500000000, -0.0053069400000000 ] - [ 0.0010654300000000, 0.0000000000000000, 0.0048286300000000 ] - [ 0.0035392300000000, 0.0237601700000000, 0.0444958600000000 ] - [ 0.0035392300000000, -0.0237601700000000, 0.0444958600000000 ] - [ -0.0025866500000000, -0.0056578000000000, 0.0051075700000000 ] - [ -0.0020177100000000, -0.0012385000000000, 0.0014805200000000 ] - [ 0.0003383100000000, -0.0003982300000000, -0.0000084500000000 ] - [ 0.0000872600000000, 0.0004993000000000, -0.0009910300000000 ] - [ 0.0029560400000000, -0.0008782600000000, 0.0011465300000000 ] - [ -0.0006031100000000, 0.0000000000000000, 0.0016638000000000 ] - [ 0.0000872600000000, -0.0004993000000000, -0.0009910300000000 ] - [ -0.0051420300000000, -0.0045499300000000, -0.0010588300000000 ] - [ 0.0012986900000000, 0.0001887600000000, 0.0005646200000000 ] - [ -0.0051420300000000, 0.0045499300000000, -0.0010588300000000 ] - [ 0.0047968400000000, 0.0000000000000000, -0.0001121400000000 ] - [ 0.0006307700000000, -0.0011531700000000, -0.0022188000000000 ] - [ -0.0019143100000000, 0.0004643800000000, -0.0006599700000000 ] - [ 0.1432066400000000, 0.0000000000000000, 0.1651720200000000 ] - [ 0.0003383100000000, 0.0003982300000000, -0.0000084500000000 ] - [ -0.0004093100000000, -0.0009717900000000, -0.0021944600000000 ] - [ 0.0000580300000000, -0.0000661400000000, 0.0003524300000000 ] - [ -0.0008949200000000, 0.0000000000000000, 0.0001497200000000 ] - [ -0.0004093100000000, 0.0009717900000000, -0.0021944600000000 ] - [ 0.0010815900000000, 0.0000000000000000, 0.0009312800000000 ] - [ 0.0000580300000000, 0.0000661400000000, 0.0003524300000000 ] - [ -0.0019143100000000, -0.0004643800000000, -0.0006599700000000 ] - [ 0.0002704700000000, 0.0000000000000000, -0.0009472700000000 ] - [ 0.0029560400000000, 0.0008782600000000, 0.0011465300000000 ] - [ 0.0012986900000000, -0.0001887600000000, 0.0005646200000000 ] - [ -0.0002039300000000, 0.0000000000000000, -0.0009392600000000 ] - [ -0.0000415200000000, 0.0000199000000000, -0.0004103100000000 ] - [ 0.0006307700000000, 0.0011531700000000, -0.0022188000000000 ] - [ -0.0000415200000000, -0.0000199000000000, -0.0004103100000000 ] - [ -0.0001177500000000, 0.0000000000000000, 0.0001905500000000 ] - [ 0.0008839600000000, 0.0000000000000000, 0.0070484400000000 ] - [ 0.0004035500000000, 0.0000000000000000, 0.0000862900000000 ] - [ 0.0041161200000000, -0.0069405000000000, -0.0065782200000000 ] - [ 0.0005384700000000, -0.0052282500000000, 0.0031155300000000 ] - [ 0.0003262400000000, 0.0002551500000000, -0.0010744400000000 ] - [ -0.0028509400000000, 0.0000000000000000, -0.0061628600000000 ] - [ 0.0005384700000000, 0.0052282500000000, 0.0031155300000000 ] - [ -0.0032894300000000, -0.0010589500000000, 0.0007450000000000 ] - [ 0.0021799700000000, -0.0008564400000000, -0.0011991600000000 ] - [ -0.0032894300000000, 0.0010589500000000, 0.0007450000000000 ] - [ 0.0022438300000000, 0.0000000000000000, -0.0035141900000000 ] - [ 0.0003068900000000, 0.0010156200000000, 0.0005553200000000 ] - [ -0.0113616300000000, 0.0026947700000000, -0.0059132900000000 ] - [ -0.0001236400000000, 0.0000000000000000, -0.0009496400000000 ] - [ 0.0041161200000000, 0.0069405000000000, -0.0065782200000000 ] - [ 0.0010562700000000, 0.0049472200000000, 0.0104475000000000 ] - [ 0.0010092700000000, 0.0039143900000000, -0.0057350700000000 ] - [ -0.0032807400000000, 0.0000000000000000, 0.0010910600000000 ] - [ 0.0010562700000000, -0.0049472200000000, 0.0104475000000000 ] - [ 0.0004009300000000, 0.0000000000000000, -0.0009507900000000 ] - [ 0.0010092700000000, -0.0039143900000000, -0.0057350700000000 ] - [ -0.0113616300000000, -0.0026947700000000, -0.0059132900000000 ] - [ -0.0705287000000000, 0.0000000000000000, 0.0655716200000000 ] - [ 0.0003262400000000, -0.0002551500000000, -0.0010744400000000 ] - [ 0.0021799700000000, 0.0008564400000000, -0.0011991600000000 ] - [ -0.0014097500000000, 0.0000000000000000, 0.0043382400000000 ] - [ -0.0067369600000000, -0.0784258000000000, 0.0923693400000000 ] - [ 0.0003068900000000, -0.0010156200000000, 0.0005553200000000 ] - [ -0.0067369600000000, 0.0784258000000000, 0.0923693400000000 ] - [ 0.0003977000000000, 0.0000000000000000, -0.0138318700000000 ] - [ 0.0008082500000000, 0.0000000000000000, -0.0010530900000000 ] - [ 0.0005028400000000, 0.0000000000000000, -0.0021497000000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002894600000000, 0.0000000000000000, 0.0007072400000000 ] - [ -0.0008383500000000, 0.0000000000000000, 0.0009454300000000 ] - [ 0.0000690800000000, 0.0000000000000000, -0.0049094600000000 ] - [ -0.0011976300000000, 0.0000000000000000, -0.0025396600000000 ] - [ -0.0000535400000000, -0.0004124000000000, 0.0007450200000000 ] - [ 0.0009166100000000, -0.0043587900000000, 0.0085106600000000 ] - [ -0.0000535400000000, 0.0004124000000000, 0.0007450200000000 ] - [ 0.0009166100000000, 0.0043587900000000, 0.0085106600000000 ] - [ 0.0008663800000000, 0.0001230900000000, -0.0031902900000000 ] - [ -0.0000721100000000, -0.0000129800000000, -0.0007683800000000 ] - [ 0.0008663800000000, -0.0001230900000000, -0.0031902900000000 ] - [ -0.0000721100000000, 0.0000129800000000, -0.0007683800000000 ] - [ -0.0181024400000000, 0.0000000000000000, -0.0293810700000000 ] - [ 0.0015738200000000, 0.0000000000000000, -0.0022919900000000 ] - [ -0.0018843600000000, 0.0000000000000000, 0.0011481300000000 ] - [ 0.0090097700000000, 0.0000000000000000, 0.0010640400000000 ] - [ 0.0001644700000000, 0.0005120000000000, 0.0002789600000000 ] - [ 0.0576711100000000, 0.0000000000000000, 0.4740240700000000 ] - [ 0.0035681300000000, 0.0013620600000000, -0.0000058200000000 ] - [ -0.0018111200000000, 0.0000000000000000, 0.0182955000000000 ] - [ 0.0151380900000000, 0.0000000000000000, 0.0157411900000000 ] - [ -0.0028401500000000, -0.0028838900000000, -0.0025050200000000 ] - [ -0.0028401500000000, 0.0028838900000000, -0.0025050200000000 ] - [ -0.0013857200000000, 0.0000000000000000, 0.0048020400000000 ] - [ -0.0010767600000000, -0.0001353900000000, -0.0010940100000000 ] - [ -0.0010767600000000, 0.0001353900000000, -0.0010940100000000 ] - [ 0.0001644700000000, -0.0005120000000000, 0.0002789600000000 ] - [ 0.0035681300000000, -0.0013620600000000, -0.0000058200000000 ] - [ 0.0021242800000000, -0.0052091400000000, -0.0043518500000000 ] - [ -0.0006123800000000, 0.0000000000000000, -0.0018977500000000 ] - [ 0.0024533500000000, -0.0008158400000000, -0.0007621200000000 ] - [ -0.0003362500000000, 0.0000000000000000, -0.0007801300000000 ] - [ 0.0019665300000000, 0.0000000000000000, -0.0047970100000000 ] - [ -0.0117945900000000, 0.0004980500000000, 0.0045944700000000 ] - [ -0.0117945900000000, -0.0004980500000000, 0.0045944700000000 ] - [ -0.0004277200000000, 0.0000000000000000, -0.0040016100000000 ] - [ -0.0039804300000000, -0.0237134600000000, -0.0453594300000000 ] - [ -0.0039804300000000, 0.0237134600000000, -0.0453594300000000 ] - [ 0.0021242800000000, 0.0052091400000000, -0.0043518500000000 ] - [ 0.0024533500000000, 0.0008158400000000, -0.0007621200000000 ] - [ 0.0002077000000000, 0.0000546000000000, 0.0001405900000000 ] - [ 0.0001403000000000, 0.0000467300000000, 0.0000042400000000 ] - [ -0.0034958000000000, 0.0012253700000000, -0.0012817200000000 ] - [ -0.0004237600000000, 0.0000000000000000, -0.0015700600000000 ] - [ 0.0001403000000000, -0.0000467300000000, 0.0000042400000000 ] - [ 0.0046041600000000, 0.0042173100000000, 0.0012034200000000 ] - [ -0.0012935400000000, -0.0001392000000000, 0.0003611800000000 ] - [ 0.0046041600000000, -0.0042173100000000, 0.0012034200000000 ] - [ -0.0058744300000000, 0.0000000000000000, 0.0000428000000000 ] - [ -0.0008582300000000, 0.0006077900000000, 0.0012284200000000 ] - [ 0.0019198600000000, -0.0005152700000000, -0.0002664300000000 ] - [ -0.1346698800000000, 0.0000000000000000, -0.1605885100000000 ] - [ 0.0002077000000000, -0.0000546000000000, 0.0001405900000000 ] - [ 0.0001823600000000, 0.0015186400000000, 0.0031847100000000 ] - [ 0.0004880100000000, 0.0004113800000000, -0.0004850100000000 ] - [ 0.0004868400000000, 0.0000000000000000, 0.0002255300000000 ] - [ 0.0001823600000000, -0.0015186400000000, 0.0031847100000000 ] - [ -0.0014834000000000, 0.0000000000000000, -0.0013148800000000 ] - [ 0.0004880100000000, -0.0004113800000000, -0.0004850100000000 ] - [ 0.0019198600000000, 0.0005152700000000, -0.0002664300000000 ] - [ -0.0002678100000000, 0.0000000000000000, 0.0009329300000000 ] - [ -0.0034958000000000, -0.0012253700000000, -0.0012817200000000 ] - [ -0.0012935400000000, 0.0001392000000000, 0.0003611800000000 ] - [ 0.0002052000000000, 0.0000000000000000, 0.0009519500000000 ] - [ 0.0002697100000000, -0.0005657400000000, 0.0013963700000000 ] - [ -0.0008582300000000, -0.0006077900000000, 0.0012284200000000 ] - [ 0.0002697100000000, 0.0005657400000000, 0.0013963700000000 ] - [ 0.0005267800000000, 0.0000000000000000, 0.0001853700000000 ] - [ 0.0001424700000000, 0.0000000000000000, -0.0069347000000000 ] - [ 0.0000051400000000, 0.0000000000000000, -0.0004613700000000 ] - [ -0.0035568900000000, 0.0066003100000000, 0.0066455800000000 ] - [ -0.0003151600000000, 0.0057298800000000, -0.0040798900000000 ] - [ -0.0008585600000000, 0.0000851600000000, 0.0009463100000000 ] - [ 0.0018187900000000, 0.0000000000000000, 0.0062565000000000 ] - [ -0.0003151600000000, -0.0057298800000000, -0.0040798900000000 ] - [ 0.0027510500000000, 0.0007154500000000, -0.0006185000000000 ] - [ -0.0021648000000000, 0.0008967000000000, 0.0021235500000000 ] - [ 0.0027510500000000, -0.0007154500000000, -0.0006185000000000 ] - [ -0.0032730100000000, 0.0000000000000000, 0.0034215300000000 ] - [ -0.0005295900000000, -0.0015598800000000, -0.0015282600000000 ] - [ 0.0113612300000000, -0.0027697200000000, 0.0049684700000000 ] - [ 0.0011537500000000, 0.0000000000000000, 0.0008589400000000 ] - [ -0.0035568900000000, -0.0066003100000000, 0.0066455800000000 ] - [ -0.0012921200000000, -0.0044169900000000, -0.0094916200000000 ] - [ -0.0004920900000000, -0.0035644600000000, 0.0055926900000000 ] - [ 0.0028786600000000, 0.0000000000000000, -0.0007233500000000 ] - [ -0.0012921200000000, 0.0044169900000000, -0.0094916200000000 ] - [ -0.0008013800000000, 0.0000000000000000, 0.0005786600000000 ] - [ -0.0004920900000000, 0.0035644600000000, 0.0055926900000000 ] - [ 0.0113612300000000, 0.0027697200000000, 0.0049684700000000 ] - [ 0.0692457800000000, 0.0000000000000000, -0.0658204800000000 ] - [ -0.0008585600000000, -0.0000851600000000, 0.0009463100000000 ] - [ -0.0021648000000000, -0.0008967000000000, 0.0021235500000000 ] - [ 0.0014105000000000, 0.0000000000000000, -0.0043103000000000 ] - [ 0.0074825100000000, 0.0820654900000000, -0.0936220700000000 ] - [ -0.0005295900000000, 0.0015598800000000, -0.0015282600000000 ] - [ 0.0074825100000000, -0.0820654900000000, -0.0936220700000000 ] - [ 0.0000194900000000, 0.0000000000000000, 0.0142009600000000 ] - [ 0.0002232200000000, 0.0000000000000000, 0.0011426500000000 ] - [ -0.0000963600000000, 0.0000000000000000, 0.0017684400000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002252800000000, 0.0010573100000000, -0.0017482900000000 ] - [ -0.0007143600000000, -0.0036648700000000, -0.0019770400000000 ] - [ -0.0013523900000000, 0.0002265400000000, -0.0006059500000000 ] - [ -0.0006251200000000, -0.0000659800000000, -0.0002414900000000 ] - [ 0.0079427400000000, 0.0007818500000000, -0.0048944600000000 ] - [ -0.0010116000000000, 0.0000061700000000, -0.0004764600000000 ] - [ 0.0010686900000000, 0.0009118100000000, 0.0005033300000000 ] - [ -0.0007097400000000, 0.0000594700000000, -0.0002616200000000 ] - [ -0.0010221200000000, 0.0000727400000000, 0.0001441800000000 ] - [ 0.0015210700000000, 0.0005692900000000, -0.0006621400000000 ] - [ -0.0012448700000000, -0.0001459000000000, 0.0003206700000000 ] - [ 0.0021472400000000, -0.0007903300000000, -0.0012888800000000 ] - [ -0.0044903300000000, -0.0012118500000000, 0.0009109200000000 ] - [ 0.0216034600000000, -0.0095842600000000, 0.0057825300000000 ] - [ 0.0033295500000000, -0.0001387900000000, 0.0014068600000000 ] - [ -0.0025436900000000, 0.0001645700000000, 0.0003320600000000 ] - [ 0.0017816300000000, -0.0000713700000000, 0.0000476200000000 ] - [ -0.0037778300000000, 0.0000362300000000, -0.0003419900000000 ] - [ 0.0001561900000000, -0.0002909600000000, 0.0001959700000000 ] - [ -0.0032238200000000, -0.0000617700000000, 0.0006243700000000 ] - [ -0.0050644100000000, 0.0001958000000000, 0.0044742200000000 ] - [ -0.0159217500000000, 0.0017851000000000, 0.0041662500000000 ] - [ 0.0002536300000000, 0.0029753400000000, 0.0008092700000000 ] - [ -0.0010288600000000, -0.0020976100000000, 0.0036418100000000 ] - [ 0.1279942300000000, -0.1153000900000000, -0.0559068600000000 ] - [ 0.0031891800000000, 0.0052992200000000, -0.0001189700000000 ] - [ 0.0025730900000000, -0.0001875700000000, -0.0004564900000000 ] - [ -0.0003574100000000, -0.0001508800000000, -0.0000545800000000 ] - [ -0.0043650300000000, 0.0004509300000000, 0.0005519900000000 ] - [ 0.0014659200000000, 0.0039880200000000, 0.0034556200000000 ] - [ -0.0063978700000000, -0.0046688400000000, -0.0000383600000000 ] - [ 0.0040571600000000, -0.0006661000000000, -0.0003372100000000 ] - [ -0.0002406000000000, 0.0021550100000000, 0.0026011500000000 ] - [ -0.0001987400000000, 0.0009765300000000, 0.0008677600000000 ] - [ -0.0002756600000000, -0.0008302000000000, 0.0010394500000000 ] - [ 0.0000933600000000, -0.0004262300000000, 0.0009992100000000 ] - [ -0.0020786900000000, 0.0004910000000000, -0.0002100500000000 ] - [ -0.0022155100000000, -0.0004884200000000, -0.0002250600000000 ] - [ -0.0035137800000000, -0.0004754500000000, 0.0004679600000000 ] - [ -0.0027220200000000, 0.0012393200000000, 0.0015952100000000 ] - [ -0.1848665800000000, 0.1660162900000000, 0.0644109300000000 ] - [ -0.0008662600000000, 0.0001003200000000, 0.0000521600000000 ] - [ 0.0005788300000000, -0.0001276700000000, 0.0004274600000000 ] - [ -0.0013275500000000, 0.0007632100000000, -0.0018321100000000 ] - [ -0.0009786500000000, 0.0001260100000000, -0.0000476100000000 ] - [ 0.0050083000000000, 0.0021422800000000, -0.0001198100000000 ] - [ -0.0010022100000000, -0.0000005500000000, 0.0009797000000000 ] - [ 0.0010042700000000, -0.0006635300000000, -0.0001446200000000 ] - [ 0.0057796500000000, -0.0041866800000000, -0.0058188300000000 ] - [ 0.0000363100000000, -0.0001599000000000, -0.0005696400000000 ] - [ -0.0017828200000000, -0.0007191200000000, -0.0007519200000000 ] - [ 0.0025120000000000, 0.0001272600000000, 0.0009676800000000 ] - [ -0.0055692700000000, -0.0046692600000000, -0.0009205500000000 ] - [ 0.0023781000000000, -0.0012866300000000, -0.0037199900000000 ] - [ -0.0020249500000000, -0.0001522500000000, -0.0000761000000000 ] - [ 0.0032286500000000, -0.0045858800000000, 0.0001765300000000 ] - [ 0.0001050900000000, -0.0010343300000000, -0.0004123200000000 ] - [ 0.0000811600000000, 0.0002401100000000, 0.0001985900000000 ] - [ -0.0011588500000000, 0.0001371800000000, -0.0000989800000000 ] - [ 0.0367135600000000, -0.0160347100000000, -0.0062199200000000 ] - [ -0.0004305000000000, -0.0007019700000000, -0.0009714000000000 ] - [ 0.0003710400000000, 0.0000179600000000, 0.0001774700000000 ] - [ -0.0009415000000000, 0.0001432400000000, 0.0015424500000000 ] - [ -0.0014962600000000, 0.0003934200000000, -0.0008199400000000 ] - [ -0.0010623200000000, -0.0024202700000000, 0.0000411500000000 ] - [ -0.0000321700000000, 0.0004156100000000, -0.0006460100000000 ] - [ -0.0037766400000000, -0.0068810900000000, -0.0082100600000000 ] - [ -0.0048771600000000, -0.0076955900000000, -0.0010229400000000 ] - [ 0.0020339700000000, -0.0000369000000000, -0.0005866900000000 ] - [ -0.0010459500000000, 0.0002558000000000, -0.0000057700000000 ] - [ 0.0014425000000000, -0.0007155700000000, 0.0000508300000000 ] - [ 0.0014366000000000, 0.0002205700000000, -0.0007511900000000 ] - [ 0.0043144900000000, -0.0061785500000000, 0.0024811600000000 ] - [ 0.0002234300000000, 0.0002647600000000, -0.0002111600000000 ] - [ 0.0011992900000000, -0.0001972800000000, -0.0006628900000000 ] - [ -0.0009468600000000, -0.0007199400000000, 0.0000954400000000 ] - [ 0.0043143600000000, 0.0005580100000000, 0.0004927700000000 ] - [ -0.0009747200000000, 0.0007882600000000, 0.0002056000000000 ] - [ 0.0007421300000000, -0.0003977100000000, -0.0015448300000000 ] - [ 0.0003552300000000, -0.0004588700000000, -0.0013786000000000 ] - [ 0.0013840600000000, 0.0000929300000000, -0.0005718400000000 ] - [ -0.0018384500000000, -0.0007146300000000, -0.0023380700000000 ] - [ 0.0014985500000000, 0.0007011900000000, 0.0000407700000000 ] - [ 0.0005395100000000, -0.0007221700000000, -0.0016455600000000 ] - [ 0.0021917400000000, 0.0010665200000000, -0.0002416700000000 ] - [ -0.0001484200000000, -0.0001334400000000, 0.0000098300000000 ] - [ 0.0007603100000000, 0.0003421600000000, -0.0016143600000000 ] - [ 0.0004829700000000, 0.0008969600000000, 0.0001595600000000 ] - [ 0.0025121700000000, -0.0009709100000000, -0.0002660100000000 ] - [ 0.0012842400000000, -0.0001058100000000, -0.0005752600000000 ] - [ 0.0034051400000000, -0.0000102100000000, -0.0006496200000000 ] - [ 0.0071858000000000, 0.0017402700000000, 0.0051192300000000 ] - [ 0.0032952500000000, -0.0002034800000000, 0.0003099900000000 ] - [ 0.0021344700000000, 0.0002587200000000, -0.0005640000000000 ] - [ 0.0010637500000000, -0.0000966100000000, 0.0003647200000000 ] - [ 0.0024812200000000, 0.0026413900000000, -0.0018175200000000 ] - [ 0.0010118100000000, 0.0001028100000000, 0.0003662900000000 ] - [ 0.0009203000000000, -0.0000096900000000, 0.0001178800000000 ] - [ -0.0047490400000000, 0.0002036800000000, 0.0040127200000000 ] - [ 0.0015806500000000, 0.0001095300000000, -0.0000656600000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002353500000000, -0.0010606800000000, 0.0015009200000000 ] - [ 0.0006650200000000, 0.0036545000000000, 0.0022170800000000 ] - [ 0.0013502200000000, -0.0002248300000000, 0.0003537100000000 ] - [ 0.0006261600000000, 0.0000653000000000, 0.0004886500000000 ] - [ -0.0082423600000000, -0.0007054800000000, 0.0045763500000000 ] - [ 0.0014971400000000, -0.0000059400000000, 0.0004792100000000 ] - [ -0.0015445700000000, -0.0009053600000000, -0.0005033600000000 ] - [ 0.0011936200000000, -0.0000602200000000, 0.0002628400000000 ] - [ 0.0005363600000000, -0.0000729600000000, -0.0001455200000000 ] - [ -0.0010285000000000, -0.0005667000000000, 0.0006595800000000 ] - [ 0.0007604500000000, 0.0001464600000000, -0.0003233600000000 ] - [ -0.0016458900000000, 0.0007866700000000, 0.0012940000000000 ] - [ 0.0044922200000000, 0.0012209100000000, -0.0009165100000000 ] - [ -0.0212471800000000, 0.0088566700000000, -0.0054198900000000 ] - [ -0.0033079700000000, 0.0001445400000000, -0.0014039500000000 ] - [ 0.0025390800000000, -0.0001649100000000, -0.0003292300000000 ] - [ -0.0022470500000000, 0.0004857200000000, 0.0006794200000000 ] - [ 0.0031427500000000, -0.0000359700000000, -0.0004694900000000 ] - [ 0.0002926600000000, 0.0007108700000000, 0.0005302600000000 ] - [ 0.0025910800000000, 0.0000604000000000, 0.0001942200000000 ] - [ 0.0056880800000000, -0.0001984900000000, -0.0052692400000000 ] - [ 0.0164290700000000, -0.0013694600000000, -0.0049156100000000 ] - [ 0.0001751000000000, -0.0034166000000000, -0.0015406300000000 ] - [ 0.0016743600000000, 0.0020893300000000, -0.0028103800000000 ] - [ -0.1302656400000000, 0.1206971200000000, 0.0575707500000000 ] - [ -0.0036735200000000, -0.0056448000000000, -0.0005841800000000 ] - [ -0.0030481000000000, -0.0002381300000000, 0.0011765400000000 ] - [ 0.0008044500000000, -0.0002679500000000, 0.0007815300000000 ] - [ 0.0039040200000000, -0.0000337000000000, 0.0001718600000000 ] - [ -0.0021029800000000, -0.0039320900000000, -0.0042162200000000 ] - [ 0.0068400300000000, 0.0050583500000000, 0.0007650800000000 ] - [ -0.0047100700000000, 0.0006613700000000, 0.0011626700000000 ] - [ 0.0008448700000000, -0.0021683200000000, -0.0034385300000000 ] - [ 0.0006641100000000, -0.0005537300000000, -0.0015871000000000 ] - [ 0.0007416600000000, 0.0004072700000000, -0.0017605900000000 ] - [ 0.0005258000000000, 0.0004280500000000, -0.0001875200000000 ] - [ 0.0016208600000000, -0.0000714000000000, -0.0005119400000000 ] - [ 0.0017579100000000, 0.0000692100000000, -0.0004970000000000 ] - [ 0.0030548500000000, 0.0000557000000000, 0.0002560100000000 ] - [ 0.0031826600000000, -0.0016515600000000, -0.0008678900000000 ] - [ 0.1870275400000000, -0.1708032900000000, -0.0667165400000000 ] - [ 0.0010944600000000, 0.0004500700000000, -0.0010419800000000 ] - [ -0.0011179200000000, 0.0004694400000000, -0.0005615200000000 ] - [ 0.0002957100000000, -0.0007637100000000, 0.0019233100000000 ] - [ 0.0012067700000000, -0.0006712800000000, -0.0009422900000000 ] - [ -0.0055738900000000, -0.0024992900000000, 0.0002519600000000 ] - [ 0.0010116500000000, 0.0000417500000000, -0.0000444300000000 ] - [ -0.0015400400000000, 0.0010075000000000, 0.0002756100000000 ] - [ -0.0067579800000000, 0.0041485000000000, 0.0056808300000000 ] - [ -0.0002562000000000, -0.0003889100000000, -0.0004162800000000 ] - [ 0.0018207400000000, 0.0006657600000000, -0.0001854800000000 ] - [ -0.0014930500000000, -0.0001283300000000, -0.0010683800000000 ] - [ 0.0060877600000000, 0.0049979100000000, 0.0010419500000000 ] - [ -0.0026116600000000, 0.0018462200000000, 0.0047423200000000 ] - [ 0.0025667000000000, 0.0004932500000000, -0.0000396000000000 ] - [ -0.0036653400000000, 0.0046261400000000, 0.0001929000000000 ] - [ -0.0003215400000000, 0.0004893000000000, 0.0014036400000000 ] - [ -0.0004916900000000, -0.0002402600000000, -0.0005726000000000 ] - [ 0.0017008900000000, -0.0004819000000000, -0.0000307000000000 ] - [ -0.0372900400000000, 0.0163827700000000, 0.0053438300000000 ] - [ 0.0004632800000000, 0.0006927000000000, 0.0009374300000000 ] - [ -0.0009101300000000, -0.0003598700000000, -0.0003075900000000 ] - [ 0.0009545300000000, -0.0001842500000000, -0.0006063800000000 ] - [ 0.0015091100000000, -0.0003931400000000, 0.0008442300000000 ] - [ 0.0012891900000000, 0.0018516600000000, 0.0009326400000000 ] - [ -0.0001884500000000, 0.0001323200000000, -0.0003397000000000 ] - [ 0.0040962000000000, 0.0073533900000000, 0.0091117800000000 ] - [ 0.0053808400000000, 0.0075608900000000, 0.0013744600000000 ] - [ -0.0010138800000000, 0.0000371600000000, 0.0006814000000000 ] - [ 0.0014625100000000, -0.0002500200000000, -0.0003635000000000 ] - [ -0.0008981000000000, 0.0003714600000000, 0.0000795400000000 ] - [ -0.0012109600000000, 0.0003287200000000, -0.0002370500000000 ] - [ -0.0048306500000000, 0.0064946000000000, -0.0025972200000000 ] - [ -0.0012366900000000, -0.0002664900000000, 0.0003155200000000 ] - [ -0.0009744700000000, -0.0003507200000000, -0.0003266600000000 ] - [ 0.0003959600000000, 0.0003713600000000, 0.0000363300000000 ] - [ -0.0043056800000000, -0.0005138200000000, 0.0004431200000000 ] - [ 0.0004229800000000, -0.0004402500000000, -0.0000748400000000 ] - [ -0.0017551300000000, 0.0004007000000000, 0.0014488000000000 ] - [ -0.0005830200000000, -0.0000906800000000, 0.0003865100000000 ] - [ -0.0013867800000000, -0.0001331900000000, -0.0003658700000000 ] - [ 0.0028465200000000, 0.0007082800000000, 0.0022233400000000 ] - [ -0.0009541200000000, -0.0003571500000000, 0.0000875700000000 ] - [ -0.0007642500000000, 0.0012655000000000, 0.0026223100000000 ] - [ -0.0016472700000000, -0.0007233400000000, 0.0001103400000000 ] - [ -0.0002689000000000, 0.0001330500000000, 0.0003599800000000 ] - [ -0.0009863300000000, -0.0008861200000000, 0.0025918300000000 ] - [ -0.0009014200000000, -0.0008924600000000, -0.0005295700000000 ] - [ -0.0019680200000000, 0.0006265600000000, 0.0001374100000000 ] - [ -0.0012871600000000, 0.0001463500000000, -0.0003643100000000 ] - [ -0.0034004600000000, 0.0000104400000000, 0.0006224900000000 ] - [ -0.0076641300000000, -0.0020702000000000, -0.0051812500000000 ] - [ -0.0032919000000000, 0.0001612000000000, 0.0006279300000000 ] - [ -0.0021366200000000, -0.0002573900000000, 0.0005838900000000 ] - [ -0.0008385200000000, -0.0004511400000000, 0.0006169600000000 ] - [ -0.0026962800000000, -0.0020798500000000, 0.0008231800000000 ] - [ -0.0007866500000000, 0.0004445500000000, 0.0006173200000000 ] - [ -0.0005058900000000, 0.0000095500000000, 0.0002526000000000 ] - [ 0.0057475500000000, -0.0001828300000000, -0.0039293300000000 ] - [ -0.0011650800000000, -0.0001083300000000, -0.0003047200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009193100000000, -0.0005852100000000, 0.0014450900000000 ] - [ -0.0028892200000000, 0.0005582700000000, -0.0005903200000000 ] - [ 0.0007580900000000, 0.0002085800000000, 0.0001499100000000 ] - [ 0.0002080500000000, -0.0000862100000000, 0.0002875300000000 ] - [ -0.0005218900000000, 0.0045768300000000, -0.0011879100000000 ] - [ 0.0007053400000000, 0.0000942000000000, 0.0002141000000000 ] - [ -0.0007500300000000, -0.0021604700000000, -0.0005500300000000 ] - [ 0.0006047500000000, -0.0001138400000000, 0.0001205800000000 ] - [ 0.0001299700000000, -0.0001511400000000, -0.0000858400000000 ] - [ -0.0006148000000000, -0.0013489500000000, 0.0006882700000000 ] - [ 0.0002038900000000, 0.0001778900000000, -0.0001667400000000 ] - [ -0.0009360500000000, 0.0016415600000000, -0.0002575900000000 ] - [ 0.0016390000000000, 0.0005411600000000, -0.0003225400000000 ] - [ -0.0117183400000000, 0.0195838200000000, -0.0073839000000000 ] - [ -0.0018849400000000, -0.0006586300000000, -0.0000695500000000 ] - [ 0.0011487900000000, -0.0000946200000000, -0.0003401700000000 ] - [ -0.0008761300000000, -0.0014737500000000, 0.0004227200000000 ] - [ 0.0014880800000000, 0.0000467900000000, -0.0006342600000000 ] - [ -0.0000674000000000, -0.0001115100000000, 0.0001869100000000 ] - [ 0.0003739500000000, -0.0001648700000000, 0.0001701100000000 ] - [ 0.0046401700000000, 0.0005394200000000, -0.0047797500000000 ] - [ 0.0074241600000000, -0.0002598600000000, -0.0015158600000000 ] - [ 0.0020307800000000, -0.0017334300000000, -0.0006604900000000 ] - [ -0.0009958100000000, -0.0012427500000000, -0.0006402500000000 ] - [ -0.1213791600000000, 0.1947414300000000, 0.0753698600000000 ] - [ -0.0024494400000000, -0.0217091400000000, -0.0039675200000000 ] - [ -0.0005574400000000, 0.0025097000000000, 0.0003164200000000 ] - [ 0.0002550100000000, 0.0003211000000000, 0.0002876400000000 ] - [ 0.0010163700000000, 0.0000824600000000, 0.0002235000000000 ] - [ -0.0008979500000000, -0.0071785600000000, -0.0071745100000000 ] - [ 0.0004272000000000, 0.0023799000000000, -0.0017192800000000 ] - [ -0.0049543900000000, 0.0007398300000000, 0.0041423200000000 ] - [ 0.0024254300000000, -0.0009156600000000, -0.0012929100000000 ] - [ 0.0004099900000000, -0.0005147700000000, -0.0011332400000000 ] - [ 0.0002574700000000, 0.0007827100000000, -0.0011198400000000 ] - [ -0.0004893300000000, 0.0002239200000000, 0.0004932400000000 ] - [ 0.0006359900000000, 0.0000201200000000, -0.0004849700000000 ] - [ 0.0005527500000000, 0.0000449000000000, -0.0004982500000000 ] - [ 0.0015393800000000, -0.0003685900000000, 0.0001752700000000 ] - [ 0.0028877500000000, -0.0048333500000000, -0.0019983500000000 ] - [ 0.1718999200000000, -0.2628747300000000, -0.0763838100000000 ] - [ 0.0008832000000000, 0.0012660500000000, -0.0015391100000000 ] - [ -0.0005668400000000, 0.0000152900000000, -0.0002658000000000 ] - [ 0.0008441000000000, 0.0005301800000000, 0.0000017000000000 ] - [ 0.0007216400000000, -0.0017981800000000, -0.0014856000000000 ] - [ -0.0025812900000000, -0.0016926900000000, -0.0001439200000000 ] - [ 0.0005899800000000, 0.0005758200000000, 0.0003633400000000 ] - [ -0.0011087500000000, 0.0011061000000000, -0.0001605900000000 ] - [ -0.0073454700000000, 0.0013005800000000, 0.0061984800000000 ] - [ -0.0000314600000000, -0.0005756700000000, -0.0004945500000000 ] - [ -0.0022473300000000, 0.0042284000000000, -0.0002100200000000 ] - [ -0.0003990600000000, -0.0000712500000000, -0.0005060800000000 ] - [ 0.0050976500000000, 0.0157797100000000, 0.0005377200000000 ] - [ -0.0015891800000000, 0.0006906000000000, 0.0019155900000000 ] - [ 0.0005913100000000, -0.0009597700000000, -0.0013750100000000 ] - [ -0.0015294900000000, 0.0014190800000000, 0.0001534300000000 ] - [ -0.0006673800000000, 0.0002696500000000, 0.0006953300000000 ] - [ -0.0001452500000000, -0.0001413400000000, 0.0000231400000000 ] - [ 0.0005785200000000, 0.0009130000000000, -0.0002134700000000 ] - [ -0.0147845900000000, -0.0015103900000000, 0.0019773100000000 ] - [ -0.0019177700000000, 0.0012890700000000, 0.0014538300000000 ] - [ -0.0004581400000000, 0.0000475600000000, -0.0001709200000000 ] - [ 0.0003202600000000, -0.0007396700000000, 0.0002502500000000 ] - [ 0.0018105000000000, -0.0002071000000000, -0.0003847400000000 ] - [ 0.0009017800000000, 0.0042526500000000, 0.0023863700000000 ] - [ 0.0000288300000000, 0.0004466700000000, -0.0004587000000000 ] - [ -0.0051235400000000, 0.0070919600000000, 0.0152667000000000 ] - [ -0.0096367700000000, 0.0368749500000000, 0.0053996700000000 ] - [ 0.0000026500000000, 0.0000429900000000, 0.0002813000000000 ] - [ 0.0007597500000000, -0.0001694900000000, 0.0010603800000000 ] - [ -0.0002720000000000, 0.0001486000000000, 0.0000939900000000 ] - [ -0.0002430600000000, 0.0002767900000000, -0.0003594200000000 ] - [ -0.0065788700000000, 0.0094058500000000, -0.0031277800000000 ] - [ -0.0005412600000000, -0.0001155000000000, 0.0001949700000000 ] - [ -0.0003315500000000, -0.0001206300000000, -0.0002231900000000 ] - [ 0.0002746700000000, 0.0006495900000000, -0.0001674000000000 ] - [ -0.0012006100000000, -0.0002394300000000, 0.0007396700000000 ] - [ 0.0003426200000000, -0.0005142500000000, 0.0000164500000000 ] - [ -0.0015418800000000, 0.0001499000000000, 0.0008400200000000 ] - [ -0.0002846400000000, 0.0013284000000000, 0.0009063500000000 ] - [ -0.0005249800000000, -0.0002087400000000, -0.0003497300000000 ] - [ 0.0023738000000000, 0.0010979100000000, 0.0025541600000000 ] - [ -0.0002582300000000, -0.0001248400000000, 0.0001121000000000 ] - [ -0.0006367400000000, 0.0011615600000000, 0.0021767400000000 ] - [ -0.0006223300000000, -0.0001532300000000, 0.0000066600000000 ] - [ -0.0003511100000000, -0.0001540000000000, 0.0001940200000000 ] - [ -0.0005332000000000, -0.0013713200000000, 0.0020279000000000 ] - [ 0.0000474800000000, 0.0013813400000000, 0.0001708600000000 ] - [ -0.0005273400000000, 0.0000262800000000, 0.0000224500000000 ] - [ -0.0006216700000000, 0.0001687600000000, -0.0003648400000000 ] - [ -0.0023863500000000, -0.0001165200000000, 0.0005394800000000 ] - [ -0.0021970500000000, -0.0054376800000000, -0.0011297700000000 ] - [ -0.0022911900000000, 0.0006315100000000, 0.0007530500000000 ] - [ -0.0001540300000000, 0.0001721400000000, 0.0001669400000000 ] - [ -0.0003286200000000, -0.0004722100000000, 0.0006694900000000 ] - [ 0.0008769300000000, -0.0001308200000000, 0.0003882700000000 ] - [ -0.0003335200000000, 0.0004268700000000, 0.0006459900000000 ] - [ -0.0000848300000000, -0.0000383000000000, 0.0002219500000000 ] - [ 0.0037361800000000, 0.0004690300000000, -0.0077830400000000 ] - [ -0.0004037400000000, 0.0001936800000000, -0.0002279600000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009130600000000, 0.0005951000000000, -0.0016923300000000 ] - [ 0.0028593600000000, -0.0006072200000000, 0.0008257500000000 ] - [ -0.0007618300000000, -0.0002129900000000, -0.0004025500000000 ] - [ -0.0002095000000000, 0.0000878900000000, -0.0000380000000000 ] - [ 0.0000517500000000, -0.0046121600000000, 0.0011854000000000 ] - [ -0.0002242100000000, -0.0000940600000000, -0.0002163700000000 ] - [ 0.0002590100000000, 0.0021636300000000, 0.0005640100000000 ] - [ -0.0001217000000000, 0.0001140800000000, -0.0001213300000000 ] - [ -0.0006162500000000, 0.0001510400000000, 0.0000855700000000 ] - [ 0.0011027000000000, 0.0013537100000000, -0.0006997800000000 ] - [ -0.0006914600000000, -0.0001783500000000, 0.0001676200000000 ] - [ 0.0014279900000000, -0.0016440700000000, 0.0002698500000000 ] - [ -0.0016493700000000, -0.0005508100000000, 0.0003239800000000 ] - [ 0.0126924200000000, -0.0205575500000000, 0.0080096500000000 ] - [ 0.0018964200000000, 0.0006746000000000, 0.0000685800000000 ] - [ -0.0011545100000000, 0.0000977500000000, 0.0003415600000000 ] - [ 0.0004208000000000, 0.0018791700000000, 0.0003064800000000 ] - [ -0.0021286000000000, -0.0000479900000000, -0.0001833100000000 ] - [ 0.0005296700000000, 0.0005255100000000, 0.0005447700000000 ] - [ -0.0010088300000000, 0.0001681600000000, 0.0006478100000000 ] - [ -0.0040297400000000, -0.0005487500000000, 0.0039854800000000 ] - [ -0.0070474800000000, 0.0006840000000000, 0.0008071000000000 ] - [ -0.0015362500000000, 0.0013394300000000, -0.0000726400000000 ] - [ 0.0016249800000000, 0.0012632800000000, 0.0014632000000000 ] - [ 0.1136807300000000, -0.1873781600000000, -0.0715387600000000 ] - [ 0.0020463900000000, 0.0212787800000000, 0.0031749900000000 ] - [ 0.0000940900000000, -0.0029402900000000, 0.0003935900000000 ] - [ 0.0001979900000000, -0.0007404600000000, 0.0004408700000000 ] - [ -0.0014793400000000, 0.0003374100000000, 0.0005072400000000 ] - [ 0.0002761100000000, 0.0072403800000000, 0.0063646900000000 ] - [ 0.0000475900000000, -0.0019324500000000, 0.0024549000000000 ] - [ 0.0043443600000000, -0.0007521800000000, -0.0033352200000000 ] - [ -0.0017974300000000, 0.0009311200000000, 0.0004802500000000 ] - [ 0.0000488600000000, 0.0009323700000000, 0.0004062000000000 ] - [ 0.0002044800000000, -0.0012057300000000, 0.0003914800000000 ] - [ 0.0011201000000000, -0.0002277600000000, 0.0003250000000000 ] - [ -0.0011018200000000, 0.0003972600000000, -0.0002452000000000 ] - [ -0.0010164900000000, -0.0004634500000000, -0.0002317300000000 ] - [ -0.0020129900000000, -0.0000458600000000, 0.0005565900000000 ] - [ -0.0024563300000000, 0.0044453000000000, 0.0027390600000000 ] - [ -0.1649898300000000, 0.2564320800000000, 0.0713084300000000 ] - [ -0.0006610700000000, -0.0007187600000000, 0.0005580800000000 ] - [ 0.0000277500000000, 0.0003248100000000, 0.0001350700000000 ] - [ -0.0018714600000000, -0.0005399100000000, 0.0000870600000000 ] - [ -0.0004982800000000, 0.0012618300000000, 0.0005064900000000 ] - [ 0.0020569300000000, 0.0013599200000000, 0.0002762100000000 ] - [ -0.0005930300000000, -0.0005246200000000, 0.0005628900000000 ] - [ 0.0005596400000000, -0.0007640000000000, 0.0002905300000000 ] - [ 0.0063732200000000, -0.0012932600000000, -0.0063467800000000 ] - [ -0.0001937900000000, 0.0000327300000000, -0.0004920500000000 ] - [ 0.0021843700000000, -0.0042620200000000, -0.0007102700000000 ] - [ 0.0014300600000000, 0.0000725800000000, 0.0004156900000000 ] - [ -0.0045671600000000, -0.0154956500000000, -0.0004100200000000 ] - [ 0.0013743500000000, -0.0001537100000000, -0.0009432300000000 ] - [ -0.0000516600000000, 0.0012924300000000, 0.0012628300000000 ] - [ 0.0011319800000000, -0.0014506000000000, 0.0002188000000000 ] - [ 0.0004369800000000, -0.0008223800000000, 0.0002952700000000 ] - [ -0.0002634500000000, 0.0001449700000000, -0.0003967400000000 ] - [ -0.0000378300000000, -0.0012548500000000, 0.0000745500000000 ] - [ 0.0149103500000000, 0.0014290600000000, -0.0029069800000000 ] - [ 0.0019178900000000, -0.0012991700000000, -0.0014700300000000 ] - [ -0.0000835700000000, -0.0003884100000000, 0.0000404000000000 ] - [ -0.0003158500000000, 0.0006914600000000, 0.0006828900000000 ] - [ -0.0018176600000000, 0.0002118700000000, 0.0003948200000000 ] - [ -0.0006877300000000, -0.0048191500000000, -0.0013490800000000 ] - [ -0.0002560500000000, 0.0000981900000000, -0.0005294900000000 ] - [ 0.0053237600000000, -0.0066695500000000, -0.0142778900000000 ] - [ 0.0098664600000000, -0.0363808300000000, -0.0050032600000000 ] - [ 0.0010247500000000, -0.0000438100000000, -0.0001898300000000 ] - [ -0.0003510500000000, 0.0001827200000000, -0.0014297400000000 ] - [ 0.0008174800000000, -0.0004922400000000, 0.0000373300000000 ] - [ 0.0004708200000000, 0.0002662900000000, -0.0006274900000000 ] - [ 0.0060913800000000, -0.0091450700000000, 0.0030270900000000 ] - [ -0.0004820700000000, 0.0001176700000000, -0.0001026400000000 ] - [ 0.0005611600000000, -0.0004248400000000, -0.0007688200000000 ] - [ -0.0008192800000000, -0.0009956800000000, 0.0003026200000000 ] - [ 0.0011980800000000, 0.0002844300000000, 0.0001857800000000 ] - [ -0.0008883900000000, 0.0008571200000000, 0.0001132800000000 ] - [ 0.0005198000000000, -0.0001523700000000, -0.0009363900000000 ] - [ 0.0000660100000000, -0.0018864700000000, -0.0019059000000000 ] - [ 0.0005270300000000, 0.0001601800000000, -0.0005771800000000 ] - [ -0.0013539200000000, -0.0011092700000000, -0.0026513500000000 ] - [ 0.0008030900000000, 0.0004674000000000, 0.0000171300000000 ] - [ 0.0004140400000000, -0.0006195700000000, -0.0011982800000000 ] - [ 0.0011705300000000, 0.0004977200000000, -0.0001407000000000 ] - [ -0.0000585100000000, 0.0001572600000000, 0.0001785200000000 ] - [ 0.0003070700000000, 0.0008350800000000, -0.0010494800000000 ] - [ -0.0004528900000000, -0.0014038600000000, -0.0005458500000000 ] - [ 0.0010731400000000, -0.0003679100000000, -0.0001544100000000 ] - [ 0.0006254200000000, -0.0001185400000000, -0.0005629400000000 ] - [ 0.0024006900000000, 0.0001181800000000, -0.0005554700000000 ] - [ 0.0016109800000000, 0.0051345700000000, 0.0009801200000000 ] - [ 0.0023108500000000, -0.0006848600000000, 0.0001741200000000 ] - [ 0.0001569600000000, -0.0001750700000000, -0.0001549200000000 ] - [ 0.0005573600000000, -0.0000712400000000, 0.0003148100000000 ] - [ -0.0011124200000000, 0.0006642900000000, -0.0013748500000000 ] - [ 0.0005624000000000, 0.0001174100000000, 0.0003408400000000 ] - [ 0.0004971000000000, 0.0000393100000000, 0.0001498700000000 ] - [ -0.0027388000000000, -0.0004457700000000, 0.0079213000000000 ] - [ 0.0008172400000000, -0.0001978100000000, -0.0001452300000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0009863800000000, 0.0008898700000000, -0.0004519700000000 ] - [ -0.0021588400000000, -0.0015687600000000, 0.0012683900000000 ] - [ -0.0004353200000000, 0.0000831000000000, -0.0003448800000000 ] - [ -0.0000926300000000, 0.0000004300000000, -0.0001379300000000 ] - [ -0.0035687900000000, -0.0017768900000000, 0.0080394100000000 ] - [ 0.0001546100000000, 0.0000408900000000, 0.0000802700000000 ] - [ 0.0000005100000000, -0.0003341800000000, 0.0002351700000000 ] - [ 0.0001722400000000, -0.0000445100000000, 0.0000596600000000 ] - [ -0.0001736000000000, -0.0000406500000000, -0.0000699100000000 ] - [ -0.0000336200000000, 0.0003406500000000, -0.0005961600000000 ] - [ -0.0001775200000000, 0.0000448200000000, -0.0000923800000000 ] - [ -0.0011013300000000, -0.0002108300000000, -0.0026257100000000 ] - [ -0.0001505800000000, 0.0000167700000000, 0.0005934400000000 ] - [ 0.0084594600000000, -0.0107433900000000, 0.0167169900000000 ] - [ 0.0006243200000000, 0.0017582200000000, -0.0040277600000000 ] - [ -0.0000557800000000, 0.0000898300000000, -0.0006012500000000 ] - [ -0.0008832200000000, -0.0017643000000000, -0.0026168400000000 ] - [ 0.0001964100000000, -0.0000437600000000, -0.0004812400000000 ] - [ -0.0003131300000000, -0.0000689700000000, -0.0006855900000000 ] - [ 0.0000255800000000, 0.0000143800000000, 0.0008249500000000 ] - [ 0.0023188500000000, -0.0004817000000000, -0.0015424700000000 ] - [ 0.0004960900000000, 0.0005628000000000, 0.0001172500000000 ] - [ 0.0000986600000000, -0.0005865700000000, 0.0006413600000000 ] - [ 0.0018650100000000, 0.0008516200000000, 0.0016160600000000 ] - [ -0.0634212600000000, 0.0818309700000000, 0.0771464500000000 ] - [ -0.0003356700000000, 0.0006977800000000, 0.0031099000000000 ] - [ -0.0023762200000000, -0.0016464900000000, -0.0061414700000000 ] - [ -0.0013602000000000, -0.0003084500000000, -0.0009105600000000 ] - [ -0.0008097500000000, 0.0001915600000000, 0.0008347500000000 ] - [ -0.0003927900000000, -0.0090490800000000, -0.0070176500000000 ] - [ -0.0019858200000000, -0.0023167300000000, 0.0041368700000000 ] - [ 0.0030462000000000, 0.0006711000000000, -0.0052604400000000 ] - [ 0.0029904000000000, -0.0000899500000000, 0.0002834200000000 ] - [ 0.0003095300000000, 0.0001543200000000, -0.0014358300000000 ] - [ 0.0005217800000000, -0.0002743200000000, -0.0020443900000000 ] - [ 0.0017656300000000, -0.0000684800000000, -0.0006021200000000 ] - [ -0.0001807500000000, 0.0001739500000000, -0.0006257500000000 ] - [ -0.0001188700000000, -0.0002083300000000, -0.0006390200000000 ] - [ -0.0007019400000000, -0.0002180500000000, 0.0007798100000000 ] - [ -0.0011894200000000, 0.0009073100000000, 0.0026736800000000 ] - [ 0.0659777000000000, -0.0745744300000000, -0.1051667400000000 ] - [ -0.0003240700000000, -0.0001713600000000, 0.0024652200000000 ] - [ 0.0002199300000000, -0.0000255400000000, 0.0001805800000000 ] - [ -0.0016289800000000, -0.0009833900000000, 0.0003843000000000 ] - [ -0.0000388400000000, 0.0006722000000000, 0.0034477600000000 ] - [ -0.0000778900000000, -0.0003797200000000, -0.0002808600000000 ] - [ 0.0005299100000000, 0.0003198300000000, 0.0011890900000000 ] - [ -0.0000605400000000, 0.0003973600000000, -0.0003259700000000 ] - [ -0.0035195300000000, 0.0027526400000000, -0.0020570200000000 ] - [ -0.0001367400000000, -0.0000166700000000, 0.0005136200000000 ] - [ 0.0000954900000000, 0.0000143000000000, -0.0012733100000000 ] - [ 0.0003804000000000, 0.0000096500000000, -0.0002439100000000 ] - [ -0.0007120200000000, -0.0003028700000000, -0.0025480900000000 ] - [ -0.0004256500000000, -0.0000231800000000, -0.0005701400000000 ] - [ 0.0002926400000000, -0.0011369900000000, 0.0051670500000000 ] - [ -0.0002478800000000, 0.0001426800000000, -0.0000578000000000 ] - [ -0.0004688700000000, 0.0000195800000000, -0.0001616200000000 ] - [ 0.0001793600000000, 0.0002384000000000, 0.0002438200000000 ] - [ 0.0003063400000000, -0.0000309700000000, 0.0007748300000000 ] - [ 0.0018128800000000, 0.0000423700000000, -0.0078411600000000 ] - [ -0.0029733400000000, 0.0015264700000000, 0.0016535000000000 ] - [ -0.0000312500000000, -0.0000693300000000, 0.0001687100000000 ] - [ 0.0016132200000000, 0.0001624100000000, 0.0018343900000000 ] - [ -0.0015837600000000, -0.0002315000000000, 0.0009678700000000 ] - [ 0.0002289200000000, 0.0022476900000000, -0.0018913100000000 ] - [ -0.0002997700000000, 0.0001546100000000, 0.0002856300000000 ] - [ -0.0088516900000000, 0.0199189900000000, 0.0172543300000000 ] - [ 0.0013956400000000, -0.0062654200000000, -0.0065953100000000 ] - [ 0.0004845200000000, -0.0000104800000000, 0.0000011300000000 ] - [ 0.0009042000000000, 0.0017913400000000, 0.0026119800000000 ] - [ 0.0002584800000000, -0.0001457700000000, 0.0002132700000000 ] - [ 0.0001306700000000, 0.0003568900000000, -0.0008918400000000 ] - [ 0.0022638800000000, -0.0029000900000000, 0.0008537100000000 ] - [ -0.0008552600000000, 0.0000061000000000, 0.0000118300000000 ] - [ 0.0001303700000000, -0.0003516800000000, -0.0008545000000000 ] - [ -0.0002998900000000, -0.0004072600000000, 0.0008929000000000 ] - [ 0.0012691500000000, 0.0004330400000000, -0.0000083500000000 ] - [ -0.0004099500000000, 0.0002214900000000, 0.0011538300000000 ] - [ -0.0011904800000000, -0.0000518500000000, 0.0003191800000000 ] - [ -0.0001696300000000, -0.0007493600000000, -0.0019205000000000 ] - [ -0.0001918000000000, -0.0000503800000000, -0.0001296100000000 ] - [ 0.0020896200000000, 0.0012139100000000, 0.0036562500000000 ] - [ 0.0002495100000000, 0.0001266700000000, 0.0002194100000000 ] - [ -0.0003745100000000, 0.0005902100000000, 0.0013251900000000 ] - [ 0.0004494300000000, 0.0002484500000000, -0.0001749400000000 ] - [ -0.0000918600000000, 0.0000922600000000, 0.0009070800000000 ] - [ -0.0008684400000000, -0.0001040400000000, 0.0014667800000000 ] - [ 0.0004119100000000, 0.0001796800000000, -0.0009214700000000 ] - [ 0.0004753800000000, -0.0002629200000000, -0.0001737000000000 ] - [ -0.0000982900000000, 0.0000538400000000, -0.0002218000000000 ] - [ -0.0009757100000000, 0.0000136000000000, -0.0000107900000000 ] - [ 0.0048860200000000, 0.0008821800000000, -0.0001399500000000 ] - [ 0.0008968700000000, -0.0001388900000000, 0.0001578500000000 ] - [ -0.0005335000000000, -0.0000671100000000, -0.0001871500000000 ] - [ 0.0000008000000000, -0.0003242400000000, 0.0006456800000000 ] - [ -0.0011031000000000, 0.0002427000000000, -0.0025271500000000 ] - [ 0.0000214400000000, 0.0003464800000000, 0.0006498000000000 ] - [ 0.0001942900000000, 0.0000220700000000, 0.0003256100000000 ] - [ -0.0000482900000000, -0.0031876300000000, 0.0052983800000000 ] - [ 0.0004006800000000, 0.0000469900000000, -0.0002720500000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0009913100000000, -0.0008943600000000, 0.0001953600000000 ] - [ 0.0021495000000000, 0.0015572800000000, -0.0010420100000000 ] - [ 0.0004346700000000, -0.0000831800000000, 0.0000987800000000 ] - [ 0.0000913500000000, -0.0000005100000000, 0.0003868700000000 ] - [ 0.0034967200000000, 0.0019244900000000, -0.0084793900000000 ] - [ 0.0003266300000000, -0.0000409100000000, -0.0000831900000000 ] - [ -0.0004813200000000, 0.0003377300000000, -0.0002407200000000 ] - [ 0.0003096900000000, 0.0000447700000000, -0.0000615700000000 ] - [ -0.0003091600000000, 0.0000406600000000, 0.0000717600000000 ] - [ 0.0005137000000000, -0.0003385200000000, 0.0005991500000000 ] - [ -0.0003055700000000, -0.0000452100000000, 0.0000948300000000 ] - [ 0.0015733300000000, 0.0002079500000000, 0.0026185900000000 ] - [ 0.0001434000000000, -0.0000207200000000, -0.0005873400000000 ] - [ -0.0082380700000000, 0.0104606200000000, -0.0167456800000000 ] - [ -0.0006358900000000, -0.0017698400000000, 0.0040279300000000 ] - [ 0.0000572500000000, -0.0000897600000000, 0.0006014700000000 ] - [ 0.0004343500000000, 0.0022011200000000, 0.0033321700000000 ] - [ -0.0008377900000000, 0.0000437500000000, -0.0003361700000000 ] - [ 0.0007766000000000, 0.0004920300000000, 0.0014019400000000 ] - [ -0.0006656200000000, -0.0000141300000000, -0.0000139600000000 ] - [ -0.0016813100000000, 0.0004865500000000, 0.0007170100000000 ] - [ -0.0001084400000000, -0.0001374100000000, -0.0008077000000000 ] - [ 0.0003501200000000, 0.0001753300000000, -0.0013463600000000 ] - [ -0.0012314300000000, -0.0008498400000000, -0.0008146000000000 ] - [ 0.0620139700000000, -0.0801851500000000, -0.0785744100000000 ] - [ -0.0001339600000000, -0.0010643800000000, -0.0037708500000000 ] - [ 0.0019369500000000, 0.0012307700000000, 0.0068848800000000 ] - [ 0.0018316200000000, -0.0001125600000000, 0.0016273100000000 ] - [ 0.0003508700000000, 0.0002305300000000, -0.0001179500000000 ] - [ -0.0002444200000000, 0.0090200500000000, 0.0062069500000000 ] - [ 0.0024519200000000, 0.0027382500000000, -0.0034146200000000 ] - [ -0.0036639600000000, -0.0006631300000000, 0.0060702800000000 ] - [ -0.0023358600000000, 0.0000953300000000, -0.0010787400000000 ] - [ 0.0001415800000000, 0.0002672300000000, 0.0007174200000000 ] - [ -0.0000728400000000, -0.0001455700000000, 0.0013293500000000 ] - [ -0.0011178700000000, 0.0000692900000000, 0.0014213700000000 ] - [ -0.0002785100000000, 0.0002476200000000, -0.0000911700000000 ] - [ -0.0003408900000000, -0.0002130000000000, -0.0000780200000000 ] - [ 0.0002437800000000, -0.0002037500000000, -0.0000633600000000 ] - [ 0.0016482400000000, -0.0013284500000000, -0.0019587500000000 ] - [ -0.0651367000000000, 0.0730485200000000, 0.1062617300000000 ] - [ 0.0005439100000000, 0.0007133900000000, -0.0034487600000000 ] - [ -0.0007694000000000, 0.0003742100000000, -0.0003066700000000 ] - [ 0.0006180000000000, 0.0009874000000000, -0.0002756800000000 ] - [ 0.0002586000000000, -0.0012237400000000, -0.0044372900000000 ] - [ -0.0004501300000000, 0.0000417200000000, 0.0004110800000000 ] - [ -0.0005379600000000, -0.0002883100000000, -0.0002422400000000 ] - [ -0.0004808100000000, -0.0000550100000000, 0.0004539700000000 ] - [ 0.0025002200000000, -0.0027528700000000, 0.0019718700000000 ] - [ -0.0000909700000000, -0.0005319400000000, -0.0015013300000000 ] - [ -0.0000804000000000, -0.0000612100000000, 0.0003232400000000 ] - [ 0.0006402300000000, -0.0000091900000000, 0.0001470700000000 ] - [ 0.0012508800000000, 0.0006434100000000, 0.0026712200000000 ] - [ 0.0002072700000000, 0.0005643100000000, 0.0015351400000000 ] - [ 0.0002569000000000, 0.0014998300000000, -0.0053268400000000 ] - [ -0.0001559900000000, -0.0001591900000000, 0.0004242400000000 ] - [ 0.0002443800000000, -0.0005678100000000, 0.0011366200000000 ] - [ -0.0006013700000000, -0.0002396000000000, -0.0006096900000000 ] - [ 0.0002390900000000, -0.0003179600000000, -0.0008981800000000 ] - [ -0.0016630300000000, -0.0000628900000000, 0.0068509700000000 ] - [ 0.0029503600000000, -0.0015168400000000, -0.0016766300000000 ] - [ -0.0005167200000000, -0.0002793600000000, -0.0002932100000000 ] - [ -0.0016302700000000, -0.0001969300000000, -0.0008896600000000 ] - [ 0.0015726500000000, 0.0002300800000000, -0.0009400400000000 ] - [ -0.0000033200000000, -0.0027784700000000, 0.0028451200000000 ] - [ 0.0000733000000000, 0.0003938400000000, -0.0012701200000000 ] - [ 0.0089269300000000, -0.0191119000000000, -0.0160228900000000 ] - [ -0.0009320100000000, 0.0061417800000000, 0.0069282600000000 ] - [ 0.0005341600000000, 0.0000102400000000, 0.0000998400000000 ] - [ -0.0004902300000000, -0.0018065800000000, -0.0029897100000000 ] - [ 0.0002878200000000, -0.0002014700000000, -0.0000847000000000 ] - [ 0.0000942500000000, 0.0001906400000000, -0.0000913600000000 ] - [ -0.0028152900000000, 0.0032536600000000, -0.0009808800000000 ] - [ -0.0001657800000000, -0.0000057400000000, 0.0000824500000000 ] - [ 0.0000942400000000, -0.0001963400000000, -0.0001305800000000 ] - [ -0.0002411300000000, 0.0000636100000000, -0.0007637600000000 ] - [ -0.0012675000000000, -0.0003977900000000, 0.0009527800000000 ] - [ -0.0001297100000000, 0.0001238000000000, -0.0010274100000000 ] - [ 0.0001713300000000, 0.0000506800000000, -0.0004237100000000 ] - [ -0.0000547200000000, 0.0002010400000000, 0.0009382500000000 ] - [ 0.0001967000000000, 0.0000158100000000, -0.0008155700000000 ] - [ -0.0010662000000000, -0.0012049800000000, -0.0037497800000000 ] - [ 0.0002971900000000, 0.0002206400000000, -0.0000933500000000 ] - [ 0.0001520200000000, -0.0000414100000000, -0.0003353200000000 ] - [ 0.0000983000000000, 0.0000998100000000, 0.0000440400000000 ] - [ -0.0003239100000000, -0.0000932800000000, -0.0005397400000000 ] - [ 0.0006492700000000, -0.0004476900000000, -0.0004803500000000 ] - [ -0.0008313500000000, -0.0001797900000000, 0.0005523000000000 ] - [ 0.0000727800000000, -0.0000845500000000, 0.0000451700000000 ] - [ 0.0001017800000000, -0.0000193300000000, -0.0007245500000000 ] - [ 0.0009777100000000, -0.0000141500000000, -0.0000176700000000 ] - [ -0.0054142400000000, -0.0012269700000000, 0.0000021500000000 ] - [ -0.0008970800000000, 0.0001040600000000, 0.0007887400000000 ] - [ 0.0005356500000000, 0.0000666900000000, 0.0002201000000000 ] - [ 0.0002242000000000, -0.0002243300000000, 0.0003398600000000 ] - [ 0.0008748200000000, 0.0003022300000000, 0.0015485100000000 ] - [ 0.0002031900000000, 0.0002019300000000, 0.0003373600000000 ] - [ 0.0002249600000000, -0.0000221600000000, 0.0000422400000000 ] - [ 0.0010695700000000, 0.0031526900000000, -0.0051681700000000 ] - [ 0.0000189200000000, -0.0000472300000000, -0.0000953400000000 ]- atom: 42 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011261000000000, -0.0006953500000000, 0.0002369600000000 ] - [ 0.0008635000000000, 0.0003941000000000, 0.0004628600000000 ] - [ -0.0007039200000000, -0.0000629000000000, 0.0000034000000000 ] - [ -0.0007404400000000, 0.0001342400000000, 0.0002220100000000 ] - [ -0.0000968100000000, -0.0000095700000000, -0.0000864000000000 ] - [ -0.0001797100000000, 0.0000529400000000, 0.0001188000000000 ] - [ -0.0004441300000000, -0.0001173700000000, -0.0006086200000000 ] - [ -0.0003730600000000, -0.0000175200000000, 0.0002672300000000 ] - [ -0.0010953600000000, -0.0003445000000000, -0.0002987600000000 ] - [ 0.0010861100000000, 0.0011882300000000, 0.0013751000000000 ] - [ -0.0008659500000000, 0.0002616600000000, -0.0000953900000000 ] - [ 0.0003998400000000, -0.0006675000000000, -0.0000556300000000 ] - [ -0.0018865100000000, 0.0000928300000000, -0.0012840200000000 ] - [ -0.0008927400000000, -0.0002253800000000, 0.0034103400000000 ] - [ -0.0004758300000000, 0.0039063900000000, -0.0006498200000000 ] - [ -0.0022471900000000, -0.0008259500000000, -0.0000933800000000 ] - [ 0.0338003500000000, -0.0013167400000000, -0.0096637600000000 ] - [ -0.0019805400000000, 0.0000057400000000, -0.0004382600000000 ] - [ -0.0079635700000000, 0.0012199800000000, 0.0017182900000000 ] - [ -0.0018958100000000, 0.0000047400000000, 0.0005655100000000 ] - [ -0.0009897500000000, -0.0004084300000000, -0.0011585600000000 ] - [ 0.0010041100000000, 0.0003076100000000, -0.0012412900000000 ] - [ 0.0009638900000000, -0.0004552600000000, -0.0011762600000000 ] - [ -0.0009793900000000, 0.0001250300000000, 0.0001154800000000 ] - [ 0.0019223900000000, -0.0000869300000000, -0.0002864200000000 ] - [ 0.0021577200000000, 0.0000208400000000, -0.0002599600000000 ] - [ 0.0035849100000000, -0.0008377200000000, 0.0019314400000000 ] - [ 0.0014504400000000, 0.0022093300000000, 0.0020390900000000 ] - [ -0.0016571700000000, 0.0004244200000000, 0.0003527100000000 ] - [ 0.0047401300000000, -0.0002077500000000, 0.0000170600000000 ] - [ -0.0009197800000000, 0.0000711700000000, 0.0005140000000000 ] - [ 0.0359856200000000, -0.0128130100000000, 0.0077378300000000 ] - [ 0.0005104200000000, -0.0005237300000000, -0.0008277300000000 ] - [ -0.0034577900000000, -0.0005772000000000, -0.0015821800000000 ] - [ -0.0014542000000000, -0.0014390500000000, -0.0009496900000000 ] - [ -0.0084044000000000, 0.0024884100000000, 0.0015939200000000 ] - [ -0.0026610500000000, 0.0003386400000000, -0.0004280500000000 ] - [ -0.0021449600000000, -0.0002903600000000, -0.0003619400000000 ] - [ -0.0017820800000000, -0.0004246800000000, 0.0003711900000000 ] - [ -0.0011867000000000, 0.0003461100000000, 0.0006947700000000 ] - [ -0.0007078000000000, 0.0005984000000000, -0.0003701900000000 ] - [ -0.0579679800000000, 0.0152575900000000, 0.0024694600000000 ] - [ -0.0000564100000000, -0.0003797100000000, -0.0004209800000000 ] - [ 0.0001290000000000, -0.0002880100000000, 0.0007423000000000 ] - [ -0.0080615400000000, -0.0001226000000000, 0.0000052000000000 ] - [ -0.0001927900000000, -0.0003146500000000, 0.0002521400000000 ] - [ 0.0068894400000000, 0.0036624400000000, -0.0160669300000000 ] - [ -0.0001251100000000, 0.0002538900000000, 0.0000872800000000 ] - [ -0.0000809100000000, 0.0001535600000000, -0.0004791400000000 ] - [ 0.0006007600000000, -0.0019402300000000, -0.0019336800000000 ] - [ -0.0016163500000000, 0.0001728100000000, -0.0005874700000000 ] - [ 0.0014106200000000, -0.0000264400000000, 0.0004287200000000 ] - [ -0.0008205400000000, -0.0004364400000000, -0.0000861000000000 ] - [ -0.0001766500000000, 0.0001089400000000, 0.0010249100000000 ] - [ -0.0009080300000000, -0.0006309100000000, -0.0001849700000000 ] - [ -0.0003897000000000, 0.0001213700000000, 0.0003771400000000 ] - [ -0.0001819300000000, 0.0000418200000000, 0.0011121700000000 ] - [ 0.0005640400000000, -0.0019387100000000, -0.0009308800000000 ] - [ -0.0036717700000000, -0.0054159500000000, 0.0088493900000000 ] - [ -0.0014869000000000, -0.0001244600000000, -0.0003952600000000 ] - [ -0.0017776200000000, 0.0009063800000000, 0.0007004400000000 ] - [ 0.0022236100000000, 0.0013082800000000, -0.0003786800000000 ] - [ -0.0026579100000000, -0.0002878900000000, 0.0001070500000000 ] - [ 0.0074643600000000, -0.0111625600000000, 0.0116923800000000 ] - [ -0.0015996600000000, -0.0004323000000000, 0.0002048800000000 ] - [ 0.0032555400000000, -0.0001186700000000, -0.0008403800000000 ] - [ -0.0010958900000000, 0.0003672000000000, 0.0002607000000000 ] - [ -0.0004790400000000, -0.0000510700000000, 0.0002881500000000 ] - [ 0.0014777100000000, 0.0000835400000000, -0.0005383000000000 ] - [ -0.0072657500000000, 0.0033454500000000, 0.0034382100000000 ] - [ 0.0015961800000000, -0.0005306400000000, 0.0000839500000000 ] - [ 0.0006092300000000, 0.0002171700000000, -0.0005323400000000 ] - [ 0.0006006700000000, -0.0002457400000000, -0.0008275900000000 ] - [ 0.0021563700000000, -0.0001967100000000, 0.0015663600000000 ] - [ 0.0006410500000000, -0.0002121600000000, -0.0005460200000000 ] - [ 0.0023263600000000, -0.0011776300000000, 0.0010613400000000 ] - [ 0.0012776200000000, 0.0000309300000000, 0.0004144300000000 ] - [ 0.0001938700000000, -0.0000006500000000, 0.0001232500000000 ] - [ -0.0001229800000000, 0.0002584200000000, 0.0000176600000000 ] - [ 0.0002953200000000, -0.0004287100000000, -0.0005556600000000 ] - [ 0.0017353900000000, 0.0001846400000000, -0.0003980500000000 ] - [ -0.0012810300000000, -0.0024632100000000, -0.0012897400000000 ] - [ 0.0013593500000000, 0.0006193600000000, 0.0000826400000000 ] - [ 0.0005943600000000, 0.0006729900000000, 0.0012816200000000 ] - [ 0.0012231700000000, 0.0006157200000000, 0.0000450100000000 ] - [ 0.0013082600000000, 0.0008647200000000, 0.0006795200000000 ] - [ 0.0003062900000000, -0.0000846100000000, 0.0008546200000000 ] - [ 0.0001990400000000, -0.0001770900000000, -0.0003553900000000 ] - [ 0.0011711700000000, -0.0006205100000000, 0.0000255900000000 ] - [ 0.0024159000000000, 0.0001254300000000, -0.0003870600000000 ] - [ 0.0013384000000000, 0.0000584800000000, 0.0001006100000000 ] - [ 0.0003775100000000, 0.0003515200000000, -0.0003277500000000 ] - [ 0.0014211700000000, -0.0000846500000000, 0.0003936900000000 ] - [ 0.0012612300000000, -0.0000257900000000, 0.0000677100000000 ] - [ 0.0007106300000000, -0.0002290800000000, 0.0005245000000000 ] - [ 0.0002429900000000, 0.0002697600000000, -0.0004715700000000 ] - [ 0.0008311500000000, 0.0002128400000000, 0.0005679700000000 ] - [ 0.0010669600000000, 0.0000411200000000, 0.0000787000000000 ] - [ -0.0014173000000000, 0.0080079100000000, -0.0131739700000000 ] - [ 0.0007501800000000, -0.0000104200000000, -0.0001334800000000 ]- atom: 42 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011304900000000, 0.0006967800000000, -0.0004866200000000 ] - [ -0.0008689600000000, -0.0003956000000000, -0.0002084100000000 ] - [ 0.0007037100000000, 0.0000621000000000, -0.0002524000000000 ] - [ 0.0007396500000000, -0.0001328100000000, 0.0000299100000000 ] - [ -0.0003830200000000, 0.0000111100000000, 0.0000888900000000 ] - [ 0.0006645100000000, -0.0000528200000000, -0.0001189400000000 ] - [ -0.0000344100000000, 0.0001176100000000, 0.0006113200000000 ] - [ 0.0008579000000000, 0.0000172500000000, -0.0002678600000000 ] - [ 0.0006119000000000, 0.0003452700000000, 0.0003008600000000 ] - [ -0.0004585100000000, -0.0012498300000000, -0.0014719800000000 ] - [ 0.0003808000000000, -0.0002619200000000, 0.0000959000000000 ] - [ 0.0000933100000000, 0.0006681500000000, 0.0000549200000000 ] - [ 0.0018857500000000, -0.0000935400000000, 0.0012869400000000 ] - [ 0.0009056400000000, 0.0002194500000000, -0.0034165200000000 ] - [ 0.0005031100000000, -0.0038870600000000, 0.0006275100000000 ] - [ 0.0022460300000000, 0.0008299200000000, 0.0000918100000000 ] - [ -0.0340230100000000, 0.0017623300000000, 0.0093588800000000 ] - [ 0.0013485700000000, -0.0000067800000000, -0.0003854500000000 ] - [ 0.0084212600000000, -0.0007953700000000, -0.0010193600000000 ] - [ 0.0012645300000000, -0.0000042600000000, 0.0002550300000000 ] - [ 0.0016288500000000, 0.0004049400000000, 0.0003296100000000 ] - [ -0.0005472900000000, 0.0001113100000000, 0.0005146600000000 ] - [ -0.0005060200000000, 0.0000367600000000, 0.0004501400000000 ] - [ 0.0016179000000000, -0.0001241200000000, 0.0007074300000000 ] - [ -0.0023896100000000, 0.0005079200000000, -0.0004429000000000 ] - [ -0.0026247400000000, -0.0004393600000000, -0.0004673300000000 ] - [ -0.0040743600000000, 0.0004531900000000, -0.0011741200000000 ] - [ -0.0010047000000000, -0.0026385400000000, -0.0013184800000000 ] - [ 0.0011968600000000, -0.0000051600000000, 0.0003771500000000 ] - [ -0.0053772400000000, 0.0002165700000000, -0.0008370000000000 ] - [ 0.0013853600000000, 0.0003514500000000, 0.0002156900000000 ] - [ -0.0363038600000000, 0.0120955400000000, -0.0064722700000000 ] - [ 0.0001190800000000, 0.0005280800000000, 0.0000079800000000 ] - [ 0.0038995100000000, 0.0009922600000000, 0.0008386100000000 ] - [ 0.0019174500000000, 0.0010046500000000, 0.0002142100000000 ] - [ 0.0090400900000000, -0.0025102100000000, -0.0007528200000000 ] - [ 0.0021958400000000, 0.0000797300000000, -0.0003027400000000 ] - [ 0.0016824500000000, -0.0001298500000000, -0.0003682600000000 ] - [ 0.0013209700000000, 0.0000059900000000, 0.0003589100000000 ] - [ 0.0016487700000000, -0.0007628900000000, 0.0000381400000000 ] - [ 0.0012522100000000, -0.0009448600000000, 0.0004977100000000 ] - [ 0.0576821200000000, -0.0139148900000000, -0.0027122800000000 ] - [ -0.0004820400000000, 0.0007229800000000, 0.0002917400000000 ] - [ -0.0011654100000000, 0.0002871900000000, -0.0006546100000000 ] - [ 0.0082901700000000, -0.0004955400000000, -0.0009888700000000 ] - [ -0.0003484800000000, -0.0000287900000000, -0.0001207900000000 ] - [ -0.0069459200000000, -0.0036733200000000, 0.0171824000000000 ] - [ -0.0004167900000000, 0.0000902800000000, 0.0000418000000000 ] - [ -0.0009562800000000, -0.0001525200000000, 0.0003943800000000 ] - [ -0.0008235200000000, 0.0014034800000000, 0.0009527800000000 ] - [ 0.0016212100000000, -0.0002214900000000, -0.0003412000000000 ] - [ -0.0003801100000000, 0.0000265600000000, -0.0005169600000000 ] - [ 0.0013642000000000, 0.0007822000000000, 0.0002115400000000 ] - [ -0.0000475200000000, 0.0004347000000000, -0.0000403100000000 ] - [ 0.0014432100000000, 0.0009577000000000, 0.0000477000000000 ] - [ -0.0000186100000000, -0.0001223400000000, -0.0000054300000000 ] - [ -0.0000425900000000, -0.0005868000000000, -0.0001301200000000 ] - [ -0.0009701200000000, 0.0019446200000000, 0.0005625100000000 ] - [ 0.0042009600000000, 0.0050320900000000, -0.0089278600000000 ] - [ 0.0014916000000000, 0.0001730200000000, -0.0005354000000000 ] - [ 0.0017823300000000, -0.0009136900000000, -0.0007155900000000 ] - [ -0.0027652400000000, -0.0016542500000000, 0.0002539600000000 ] - [ 0.0026823100000000, 0.0002359000000000, 0.0008187600000000 ] - [ -0.0075275900000000, 0.0112765200000000, -0.0118539900000000 ] - [ 0.0018250600000000, -0.0001112700000000, 0.0007807200000000 ] - [ -0.0035219900000000, 0.0006672400000000, -0.0001390500000000 ] - [ 0.0013239500000000, 0.0001734300000000, 0.0007257800000000 ] - [ 0.0008892500000000, 0.0000504000000000, 0.0000852500000000 ] - [ -0.0004488000000000, -0.0000839100000000, 0.0006276500000000 ] - [ 0.0076559500000000, -0.0033629200000000, -0.0038604000000000 ] - [ -0.0010525100000000, 0.0001846200000000, 0.0000470000000000 ] - [ -0.0003839600000000, 0.0003264100000000, -0.0004524000000000 ] - [ -0.0011449100000000, 0.0005931300000000, 0.0006900700000000 ] - [ -0.0031869300000000, 0.0001990800000000, -0.0014818800000000 ] - [ -0.0004155900000000, -0.0003314300000000, -0.0004412700000000 ] - [ -0.0028498400000000, 0.0008132700000000, -0.0009163300000000 ] - [ -0.0012799800000000, 0.0000174000000000, 0.0005123300000000 ] - [ -0.0007438500000000, 0.0003490200000000, 0.0000078100000000 ] - [ -0.0009065800000000, -0.0002600500000000, -0.0001061600000000 ] - [ -0.0005222700000000, -0.0001161900000000, -0.0004318000000000 ] - [ -0.0017346800000000, -0.0002307500000000, -0.0005283100000000 ] - [ 0.0023013200000000, 0.0024454800000000, 0.0012016100000000 ] - [ -0.0008155500000000, -0.0002749300000000, 0.0000462600000000 ] - [ -0.0008202300000000, -0.0001259000000000, -0.0002866400000000 ] - [ -0.0006801300000000, -0.0002714400000000, -0.0001778300000000 ] - [ -0.0017080200000000, -0.0008547700000000, -0.0003027500000000 ] - [ -0.0005343200000000, -0.0004572300000000, 0.0001340400000000 ] - [ -0.0006094600000000, 0.0001747200000000, -0.0000188600000000 ] - [ -0.0006284400000000, 0.0002766300000000, -0.0001557400000000 ] - [ -0.0024098000000000, -0.0000749500000000, -0.0005404200000000 ] - [ -0.0013403300000000, -0.0000581000000000, -0.0001125400000000 ] - [ -0.0009254700000000, -0.0006983400000000, 0.0001992700000000 ] - [ -0.0014222800000000, 0.0000357900000000, 0.0005354000000000 ] - [ -0.0012636900000000, 0.0000254900000000, -0.0000536700000000 ] - [ -0.0004849700000000, -0.0003148800000000, 0.0004597900000000 ] - [ -0.0004702500000000, 0.0002740600000000, -0.0005121000000000 ] - [ -0.0006052600000000, 0.0003319000000000, 0.0004191600000000 ] - [ -0.0006568200000000, -0.0000395700000000, 0.0002940600000000 ] - [ 0.0024384800000000, -0.0079681700000000, 0.0131884600000000 ] - [ -0.0003407700000000, 0.0000097300000000, -0.0002394600000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007394000000000, -0.0016283400000000, 0.0004870000000000 ] - [ 0.0003396000000000, 0.0007049000000000, 0.0004794500000000 ] - [ -0.0000891200000000, 0.0000882200000000, -0.0002400600000000 ] - [ 0.0002026400000000, -0.0001709400000000, -0.0000273400000000 ] - [ -0.0007219300000000, -0.0005425000000000, -0.0000716500000000 ] - [ 0.0003248900000000, -0.0000199000000000, 0.0000346200000000 ] - [ 0.0007117900000000, 0.0009340400000000, 0.0013558400000000 ] - [ 0.0001297000000000, 0.0000498000000000, 0.0001755600000000 ] - [ -0.0002112200000000, 0.0002386900000000, -0.0001587700000000 ] - [ 0.0010451300000000, 0.0025399600000000, -0.0020331000000000 ] - [ 0.0000108600000000, -0.0002939100000000, -0.0000057400000000 ] - [ -0.0014511600000000, -0.0021907300000000, 0.0004942800000000 ] - [ 0.0006669000000000, 0.0001973500000000, 0.0009656900000000 ] - [ -0.0030219500000000, 0.0011269900000000, 0.0050380300000000 ] - [ 0.0043504200000000, -0.0093539700000000, 0.0000323000000000 ] - [ -0.0002333200000000, -0.0008855000000000, -0.0001012200000000 ] - [ -0.0022376300000000, 0.0371033200000000, -0.0141341000000000 ] - [ -0.0001977500000000, 0.0001465000000000, -0.0001837700000000 ] - [ -0.0064272300000000, 0.0028475500000000, -0.0022787600000000 ] - [ -0.0000815500000000, -0.0000704400000000, 0.0007037000000000 ] - [ -0.0001339700000000, 0.0007339600000000, 0.0004721100000000 ] - [ 0.0005944800000000, -0.0004963900000000, -0.0001684600000000 ] - [ -0.0001866900000000, 0.0000011900000000, -0.0002135200000000 ] - [ 0.0013123300000000, -0.0002502000000000, 0.0016576900000000 ] - [ 0.0000362400000000, -0.0019967100000000, 0.0000743000000000 ] - [ -0.0002090700000000, 0.0009403400000000, -0.0015362000000000 ] - [ 0.0010422400000000, -0.0046917000000000, -0.0166903000000000 ] - [ 0.0033346700000000, 0.0007973900000000, -0.0012572100000000 ] - [ -0.0001961600000000, -0.0000000400000000, 0.0005325400000000 ] - [ -0.0020958600000000, -0.0072049600000000, -0.0058672500000000 ] - [ -0.0002776900000000, -0.0008550000000000, 0.0008410000000000 ] - [ -0.0132267400000000, 0.1423255200000000, -0.0828274700000000 ] - [ -0.0016468500000000, -0.0008217200000000, -0.0016962200000000 ] - [ 0.0018682200000000, 0.0026394600000000, -0.0001272300000000 ] - [ -0.0001105200000000, -0.0004534500000000, -0.0003253700000000 ] - [ 0.0088056900000000, 0.0026799700000000, -0.0042871700000000 ] - [ 0.0001677200000000, 0.0004518800000000, -0.0003488200000000 ] - [ -0.0000885200000000, -0.0001760000000000, -0.0003857000000000 ] - [ -0.0000998400000000, -0.0000973700000000, 0.0005172600000000 ] - [ 0.0001103400000000, 0.0002791500000000, 0.0007408600000000 ] - [ 0.0000965800000000, 0.0008187800000000, -0.0003812400000000 ] - [ 0.0151034400000000, -0.2161724300000000, 0.1385267500000000 ] - [ -0.0010341600000000, 0.0007178700000000, 0.0002294300000000 ] - [ -0.0018609200000000, 0.0009292800000000, -0.0011867800000000 ] - [ -0.0000704300000000, 0.0320206100000000, 0.0047571600000000 ] - [ -0.0004141500000000, 0.0000015200000000, -0.0000548000000000 ] - [ 0.0104788300000000, -0.0050174200000000, -0.0077396600000000 ] - [ -0.0001570100000000, -0.0001320000000000, -0.0001948600000000 ] - [ 0.0003354300000000, -0.0003528500000000, -0.0013665200000000 ] - [ -0.0017904600000000, -0.0000563000000000, 0.0009037400000000 ] - [ 0.0003743800000000, -0.0003140700000000, -0.0005195900000000 ] - [ 0.0003625900000000, -0.0000589100000000, -0.0003239400000000 ] - [ -0.0001278400000000, -0.0013583000000000, -0.0008891400000000 ] - [ 0.0000471200000000, 0.0010528900000000, 0.0008910300000000 ] - [ 0.0024134700000000, 0.0047080700000000, 0.0024684700000000 ] - [ -0.0001888800000000, 0.0003057100000000, 0.0000547600000000 ] - [ 0.0001988600000000, -0.0005472300000000, 0.0008099400000000 ] - [ 0.0003674800000000, -0.0023708400000000, 0.0003178400000000 ] - [ -0.0068165600000000, 0.0067175300000000, -0.0195029400000000 ] - [ -0.0001738900000000, 0.0005137000000000, -0.0005737200000000 ] - [ 0.0018927000000000, 0.0022305500000000, 0.0013556500000000 ] - [ 0.0013078000000000, 0.0002553400000000, 0.0002316900000000 ] - [ -0.0030615700000000, 0.0006390300000000, 0.0028890300000000 ] - [ -0.0109703700000000, 0.0019909900000000, -0.0061838000000000 ] - [ 0.0002742400000000, -0.0000987100000000, 0.0040391500000000 ] - [ 0.0002838600000000, -0.0020624900000000, 0.0021885400000000 ] - [ 0.0002096300000000, 0.0026679900000000, 0.0011799400000000 ] - [ 0.0002528100000000, 0.0010672300000000, 0.0001077000000000 ] - [ 0.0005083700000000, 0.0001089400000000, -0.0000506300000000 ] - [ 0.0009944200000000, -0.0022158400000000, 0.0131525500000000 ] - [ 0.0002183500000000, -0.0001668500000000, 0.0001490100000000 ] - [ 0.0000586700000000, 0.0003976300000000, -0.0006989900000000 ] - [ 0.0003449400000000, -0.0009327800000000, 0.0001053200000000 ] - [ -0.0027104900000000, -0.0004350200000000, -0.0002758000000000 ] - [ 0.0000538500000000, -0.0003383000000000, -0.0006723800000000 ] - [ -0.0026333900000000, -0.0005660800000000, 0.0000379400000000 ] - [ 0.0002008700000000, 0.0002092200000000, 0.0004009600000000 ] - [ -0.0004529000000000, 0.0017808000000000, 0.0005431000000000 ] - [ -0.0001317700000000, 0.0002944900000000, 0.0000940000000000 ] - [ -0.0002696000000000, -0.0004793000000000, -0.0010856500000000 ] - [ -0.0000972300000000, 0.0000130200000000, -0.0004860600000000 ] - [ -0.0006205000000000, 0.0077404100000000, 0.0020540200000000 ] - [ 0.0001949900000000, 0.0003243700000000, 0.0001429300000000 ] - [ -0.0005142400000000, -0.0005941000000000, -0.0001105000000000 ] - [ 0.0000937100000000, -0.0000289100000000, -0.0001166200000000 ] - [ 0.0000974200000000, -0.0007929800000000, 0.0004652200000000 ] - [ 0.0000726400000000, -0.0002596300000000, 0.0002887700000000 ] - [ -0.0002581200000000, 0.0002478900000000, -0.0001210900000000 ] - [ 0.0001000700000000, -0.0000170800000000, -0.0001378200000000 ] - [ -0.0007700500000000, -0.0003561300000000, -0.0004591500000000 ] - [ 0.0000298600000000, -0.0001115200000000, -0.0001926700000000 ] - [ 0.0007247300000000, 0.0007191700000000, -0.0003820400000000 ] - [ 0.0000236600000000, -0.0001218700000000, 0.0004108300000000 ] - [ -0.0004361700000000, 0.0000403200000000, -0.0002066900000000 ] - [ 0.0000703600000000, -0.0002824200000000, 0.0004465300000000 ] - [ -0.0001108100000000, 0.0007805000000000, -0.0011783400000000 ] - [ 0.0000536500000000, 0.0001377200000000, 0.0003445900000000 ] - [ 0.0000492000000000, -0.0001693600000000, 0.0002730100000000 ] - [ 0.0062145100000000, 0.0022929300000000, -0.0142129000000000 ] - [ 0.0001983500000000, 0.0000588200000000, -0.0001920800000000 ]- atom: 42 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007388300000000, 0.0016158000000000, -0.0007359600000000 ] - [ -0.0003431400000000, -0.0007000800000000, -0.0002162000000000 ] - [ 0.0000882300000000, -0.0000878900000000, -0.0000117100000000 ] - [ -0.0002033400000000, 0.0001698200000000, 0.0002771400000000 ] - [ 0.0002386800000000, 0.0005457600000000, 0.0000743900000000 ] - [ 0.0001601200000000, 0.0000204200000000, -0.0000336800000000 ] - [ -0.0011877700000000, -0.0009343900000000, -0.0013441700000000 ] - [ 0.0003528200000000, -0.0000502600000000, -0.0001730000000000 ] - [ -0.0002738400000000, -0.0002395300000000, 0.0001564100000000 ] - [ -0.0005320100000000, -0.0025461400000000, 0.0019986600000000 ] - [ -0.0004939300000000, 0.0002936600000000, 0.0000050300000000 ] - [ 0.0019200000000000, 0.0021872700000000, -0.0004855200000000 ] - [ -0.0006647700000000, -0.0001960300000000, -0.0009596700000000 ] - [ 0.0030117900000000, -0.0011269500000000, -0.0050136800000000 ] - [ -0.0043524300000000, 0.0093208600000000, -0.0000732100000000 ] - [ 0.0002294500000000, 0.0008775500000000, 0.0000936000000000 ] - [ 0.0018313600000000, -0.0364916800000000, 0.0140042900000000 ] - [ -0.0004350500000000, -0.0001457400000000, -0.0006352600000000 ] - [ 0.0067926200000000, -0.0024052900000000, 0.0029731900000000 ] - [ -0.0005521200000000, 0.0000700200000000, 0.0001188300000000 ] - [ 0.0007691300000000, -0.0007306300000000, -0.0012881800000000 ] - [ -0.0001301800000000, 0.0009136500000000, -0.0005525200000000 ] - [ 0.0006486300000000, -0.0004216100000000, -0.0005061800000000 ] - [ -0.0006779700000000, 0.0002488800000000, -0.0008317900000000 ] - [ -0.0004962700000000, 0.0024165300000000, -0.0007847300000000 ] - [ -0.0002491300000000, -0.0013621800000000, 0.0008240600000000 ] - [ -0.0015207700000000, 0.0044095500000000, 0.0171894600000000 ] - [ -0.0028619500000000, -0.0012015400000000, 0.0019688200000000 ] - [ -0.0002658500000000, 0.0004178900000000, 0.0001988700000000 ] - [ 0.0014667500000000, 0.0072037200000000, 0.0050900000000000 ] - [ 0.0007337800000000, 0.0012712600000000, -0.0001075500000000 ] - [ 0.0116188000000000, -0.1364174900000000, 0.0777167500000000 ] - [ 0.0023032200000000, 0.0008174100000000, 0.0008790900000000 ] - [ -0.0013963800000000, -0.0022186400000000, -0.0006036600000000 ] - [ 0.0005682700000000, 0.0000443500000000, -0.0004079100000000 ] - [ -0.0081337800000000, -0.0026596700000000, 0.0050775000000000 ] - [ -0.0006296600000000, -0.0000319400000000, -0.0003810600000000 ] - [ -0.0003736200000000, -0.0002418400000000, -0.0003444300000000 ] - [ -0.0003617900000000, -0.0003212700000000, 0.0002141600000000 ] - [ 0.0003470500000000, -0.0006976000000000, -0.0000075700000000 ] - [ 0.0004463600000000, -0.0011644200000000, 0.0005035100000000 ] - [ -0.0140980900000000, 0.2098083000000000, -0.1324412400000000 ] - [ 0.0004902700000000, -0.0003750400000000, -0.0003581300000000 ] - [ 0.0008297900000000, -0.0009263300000000, 0.0012756900000000 ] - [ 0.0003019700000000, -0.0317553500000000, -0.0056719400000000 ] - [ -0.0001294400000000, -0.0003460000000000, 0.0001844900000000 ] - [ -0.0103948900000000, 0.0051359700000000, 0.0085947600000000 ] - [ -0.0003854800000000, 0.0004756600000000, 0.0003202300000000 ] - [ -0.0013640900000000, 0.0003516700000000, 0.0012679800000000 ] - [ 0.0015544500000000, -0.0004895300000000, -0.0018760900000000 ] - [ -0.0003769700000000, 0.0002671700000000, -0.0004157600000000 ] - [ 0.0006659400000000, 0.0000581700000000, 0.0002314300000000 ] - [ 0.0006690600000000, 0.0017005100000000, 0.0010066400000000 ] - [ -0.0002781500000000, -0.0005100000000000, 0.0000896200000000 ] - [ -0.0018602200000000, -0.0043658000000000, -0.0025584900000000 ] - [ -0.0002217700000000, -0.0003042000000000, 0.0003137200000000 ] - [ -0.0004290900000000, 0.0000054300000000, 0.0001695300000000 ] - [ -0.0007683400000000, 0.0023503100000000, -0.0006870100000000 ] - [ 0.0074176700000000, -0.0070426100000000, 0.0195256700000000 ] - [ 0.0001701400000000, -0.0004660900000000, -0.0003615500000000 ] - [ -0.0019169000000000, -0.0022369900000000, -0.0013809700000000 ] - [ -0.0018242700000000, -0.0005879100000000, -0.0003560800000000 ] - [ 0.0030530600000000, -0.0007039300000000, -0.0019287400000000 ] - [ 0.0108477700000000, -0.0019872300000000, 0.0061121000000000 ] - [ -0.0000475400000000, -0.0004426000000000, -0.0030778900000000 ] - [ -0.0005012700000000, 0.0025910700000000, -0.0031461600000000 ] - [ 0.0000153200000000, -0.0021251400000000, -0.0002129500000000 ] - [ 0.0001562000000000, -0.0010643900000000, 0.0002579300000000 ] - [ 0.0005211200000000, -0.0001080100000000, 0.0001390400000000 ] - [ -0.0005524800000000, 0.0020798800000000, -0.0135058600000000 ] - [ 0.0003255900000000, -0.0001764300000000, -0.0000163700000000 ] - [ 0.0001676300000000, 0.0001465000000000, -0.0002879800000000 ] - [ -0.0008830300000000, 0.0012724100000000, -0.0002381300000000 ] - [ 0.0016707200000000, 0.0004317800000000, 0.0003666900000000 ] - [ 0.0001726000000000, -0.0002051400000000, -0.0003168100000000 ] - [ 0.0020874500000000, 0.0002300000000000, 0.0000975700000000 ] - [ -0.0001983500000000, -0.0001604300000000, 0.0005258700000000 ] - [ -0.0000833400000000, -0.0014359300000000, -0.0004063300000000 ] - [ -0.0009043400000000, -0.0002922000000000, -0.0001774700000000 ] - [ 0.0000435000000000, -0.0000648300000000, 0.0000962000000000 ] - [ 0.0000985700000000, -0.0000633800000000, -0.0004408100000000 ] - [ 0.0016888000000000, -0.0077945900000000, -0.0021533500000000 ] - [ 0.0003477600000000, 0.0000195100000000, -0.0000123000000000 ] - [ 0.0002852400000000, 0.0011359800000000, 0.0010951200000000 ] - [ 0.0004481700000000, 0.0003712800000000, -0.0000165300000000 ] - [ -0.0005101800000000, 0.0007870800000000, -0.0000910600000000 ] - [ -0.0002992500000000, -0.0002867700000000, 0.0006965900000000 ] - [ -0.0001497300000000, -0.0002471200000000, -0.0002535300000000 ] - [ 0.0004416800000000, -0.0003257000000000, 0.0000069900000000 ] - [ 0.0007679600000000, 0.0004048500000000, -0.0004687500000000 ] - [ -0.0000304600000000, 0.0001105900000000, 0.0001769100000000 ] - [ -0.0012622900000000, -0.0010604700000000, 0.0002496400000000 ] - [ -0.0000219600000000, 0.0000735500000000, 0.0005186200000000 ] - [ 0.0004364300000000, -0.0000401400000000, 0.0002200900000000 ] - [ 0.0001558800000000, -0.0002618300000000, 0.0005370700000000 ] - [ -0.0001148400000000, -0.0002348200000000, 0.0001911900000000 ] - [ 0.0001727600000000, 0.0004051700000000, 0.0006403400000000 ] - [ 0.0003609500000000, 0.0001682900000000, 0.0000996400000000 ] - [ -0.0050993100000000, -0.0022869800000000, 0.0141657900000000 ] - [ 0.0002114600000000, -0.0000588200000000, -0.0001809600000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0012181300000000, 0.0018464300000000, -0.0016626300000000 ] - [ 0.0006776800000000, -0.0006511600000000, -0.0028911600000000 ] - [ 0.0003972600000000, -0.0000087800000000, 0.0001786300000000 ] - [ -0.0000140400000000, 0.0000445400000000, 0.0005013000000000 ] - [ -0.0010330100000000, -0.0002505500000000, -0.0014506200000000 ] - [ 0.0004105400000000, -0.0000214900000000, -0.0003753900000000 ] - [ -0.0022486200000000, -0.0003199700000000, -0.0027955800000000 ] - [ 0.0006491400000000, -0.0000223400000000, -0.0005706200000000 ] - [ -0.0004747300000000, -0.0002339700000000, 0.0004290400000000 ] - [ 0.0028387500000000, -0.0028107900000000, 0.0024748300000000 ] - [ -0.0005784200000000, 0.0002736800000000, 0.0003012000000000 ] - [ 0.0014023700000000, 0.0021600600000000, 0.0014679600000000 ] - [ -0.0009170700000000, -0.0001109200000000, -0.0018970000000000 ] - [ 0.0058190800000000, -0.0003469600000000, -0.0125240500000000 ] - [ -0.0065152900000000, 0.0066618200000000, 0.0074484700000000 ] - [ 0.0012452600000000, 0.0010226300000000, 0.0015396000000000 ] - [ -0.0092756500000000, -0.0204819300000000, 0.2245619300000000 ] - [ -0.0003846400000000, -0.0001048300000000, -0.0009070600000000 ] - [ 0.0154010500000000, -0.0032876500000000, 0.0091070200000000 ] - [ -0.0002651900000000, 0.0000371200000000, -0.0004962300000000 ] - [ 0.0000929100000000, -0.0004631600000000, -0.0021317400000000 ] - [ -0.0004085100000000, 0.0006433300000000, -0.0019845900000000 ] - [ -0.0004306100000000, -0.0003830700000000, -0.0023158900000000 ] - [ -0.0012155400000000, 0.0000950100000000, -0.0022830900000000 ] - [ -0.0011636200000000, 0.0013722400000000, -0.0036262400000000 ] - [ -0.0011435000000000, -0.0004957700000000, -0.0071384100000000 ] - [ 0.0038963900000000, -0.0149824800000000, 0.0170024300000000 ] - [ 0.0025968700000000, -0.0014204500000000, 0.0048610100000000 ] - [ 0.0000741900000000, 0.0004295400000000, -0.0001742100000000 ] - [ -0.0000797400000000, -0.0042882900000000, 0.0031653000000000 ] - [ 0.0016781100000000, 0.0014887200000000, -0.0011484700000000 ] - [ 0.0053460800000000, -0.0718135600000000, 0.0922253300000000 ] - [ -0.0015735000000000, -0.0000334600000000, 0.0006304700000000 ] - [ -0.0011250900000000, -0.0008032800000000, 0.0007689500000000 ] - [ -0.0004292000000000, 0.0002750100000000, 0.0003346600000000 ] - [ -0.0141460800000000, -0.0017924100000000, 0.0103840300000000 ] - [ -0.0001877500000000, -0.0000590900000000, -0.0001479600000000 ] - [ -0.0002207700000000, -0.0001160400000000, -0.0001842500000000 ] - [ 0.0000782800000000, -0.0004045100000000, -0.0001891000000000 ] - [ 0.0017711000000000, -0.0015390100000000, -0.0013189300000000 ] - [ 0.0008187500000000, -0.0012184100000000, 0.0030262700000000 ] - [ 0.0034710200000000, 0.1344871500000000, -0.4017803100000000 ] - [ -0.0011801900000000, 0.0003708000000000, -0.0007164200000000 ] - [ 0.0017965900000000, -0.0007790300000000, 0.0018038000000000 ] - [ 0.0006119100000000, -0.0056569900000000, -0.0151120100000000 ] - [ -0.0001200100000000, -0.0001358100000000, 0.0008465300000000 ] - [ -0.0217303300000000, -0.0025283500000000, 0.0137195700000000 ] - [ -0.0001971300000000, 0.0001729200000000, 0.0010757000000000 ] - [ -0.0013374100000000, 0.0001602400000000, 0.0035139700000000 ] - [ 0.0013333600000000, -0.0016630100000000, -0.0052149400000000 ] - [ 0.0009777100000000, -0.0001457900000000, 0.0014951000000000 ] - [ 0.0006690100000000, 0.0000474800000000, 0.0006132200000000 ] - [ 0.0007200500000000, 0.0011675200000000, 0.0040115900000000 ] - [ 0.0004205400000000, -0.0001283800000000, 0.0009112700000000 ] - [ 0.0007145900000000, 0.0020394700000000, -0.0024563400000000 ] - [ -0.0000668300000000, -0.0001060400000000, 0.0010224200000000 ] - [ 0.0005082100000000, 0.0000476300000000, 0.0009865800000000 ] - [ -0.0026421100000000, 0.0027419000000000, -0.0014640600000000 ] - [ 0.0090158900000000, -0.0150700100000000, 0.0167209000000000 ] - [ 0.0007304200000000, -0.0000701200000000, 0.0007167800000000 ] - [ 0.0012647000000000, 0.0006094300000000, -0.0011518900000000 ] - [ -0.0045166800000000, -0.0016050100000000, -0.0011210400000000 ] - [ -0.0031385300000000, 0.0018996300000000, -0.0020410900000000 ] - [ 0.0223285700000000, -0.0136401300000000, 0.0058936900000000 ] - [ 0.0004022800000000, 0.0032675800000000, 0.0053836200000000 ] - [ 0.0002437000000000, 0.0029432800000000, -0.0070622800000000 ] - [ 0.0003463000000000, -0.0004267100000000, 0.0010691400000000 ] - [ 0.0001551900000000, 0.0001669900000000, 0.0026745900000000 ] - [ 0.0001256200000000, -0.0001197300000000, 0.0004946700000000 ] - [ 0.0000810400000000, 0.0226988400000000, 0.0191449700000000 ] - [ 0.0000142800000000, -0.0000363300000000, -0.0003345000000000 ] - [ 0.0000741700000000, 0.0000659000000000, 0.0000963400000000 ] - [ -0.0023752500000000, 0.0017089000000000, 0.0009110500000000 ] - [ 0.0030553200000000, 0.0004721000000000, 0.0001716600000000 ] - [ 0.0000617600000000, -0.0000934400000000, 0.0000977100000000 ] - [ 0.0010445000000000, 0.0007154900000000, -0.0019776900000000 ] - [ -0.0008322800000000, -0.0001915500000000, 0.0006657000000000 ] - [ 0.0006096300000000, -0.0012401000000000, -0.0013672100000000 ] - [ 0.0001973600000000, -0.0001502300000000, -0.0012879500000000 ] - [ -0.0000510700000000, 0.0003193300000000, 0.0011952400000000 ] - [ 0.0002281200000000, -0.0000894300000000, -0.0006072100000000 ] - [ -0.0011015000000000, 0.0012556600000000, -0.0045860000000000 ] - [ 0.0001035300000000, -0.0001030100000000, -0.0002968900000000 ] - [ 0.0006722600000000, 0.0008752600000000, 0.0007575400000000 ] - [ 0.0003988600000000, 0.0003489000000000, 0.0000876600000000 ] - [ -0.0002921500000000, 0.0001760400000000, -0.0007895500000000 ] - [ 0.0002470900000000, -0.0004757300000000, 0.0007149700000000 ] - [ -0.0007033500000000, 0.0000163500000000, 0.0001720700000000 ] - [ 0.0003982100000000, -0.0003238600000000, 0.0000920400000000 ] - [ 0.0003677400000000, 0.0001720100000000, -0.0006567000000000 ] - [ 0.0000806500000000, 0.0000641700000000, 0.0003988700000000 ] - [ -0.0024053100000000, -0.0018573700000000, 0.0007681600000000 ] - [ -0.0008282900000000, 0.0001966000000000, 0.0006799000000000 ] - [ 0.0004518100000000, -0.0000067200000000, 0.0005050900000000 ] - [ 0.0000814700000000, -0.0003173900000000, 0.0005722400000000 ] - [ -0.0001334600000000, -0.0004127600000000, 0.0011635800000000 ] - [ 0.0000390000000000, 0.0004203300000000, 0.0006153200000000 ] - [ 0.0002672500000000, 0.0000772900000000, -0.0000424000000000 ] - [ -0.0133428200000000, -0.0202035300000000, 0.0262101700000000 ] - [ 0.0001036400000000, -0.0000144800000000, -0.0001021600000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0012112900000000, -0.0018315700000000, 0.0014082400000000 ] - [ -0.0006715400000000, 0.0006458200000000, 0.0031304700000000 ] - [ -0.0003968600000000, 0.0000089800000000, -0.0004296800000000 ] - [ 0.0000151600000000, -0.0000445500000000, -0.0002498600000000 ] - [ 0.0005438800000000, 0.0002471300000000, 0.0014494900000000 ] - [ 0.0000756600000000, 0.0000218400000000, 0.0003753300000000 ] - [ 0.0017543800000000, 0.0003203100000000, 0.0027875800000000 ] - [ -0.0001617500000000, 0.0000220500000000, 0.0005694600000000 ] - [ -0.0000125300000000, 0.0002325800000000, -0.0004283700000000 ] - [ -0.0022738600000000, 0.0027778000000000, -0.0025343600000000 ] - [ 0.0000913900000000, -0.0002722900000000, -0.0003005400000000 ] - [ -0.0008999800000000, -0.0021540000000000, -0.0014809400000000 ] - [ 0.0009137500000000, 0.0001096900000000, 0.0018896700000000 ] - [ -0.0058214500000000, 0.0003423900000000, 0.0125150900000000 ] - [ 0.0064905900000000, -0.0066139200000000, -0.0073838700000000 ] - [ -0.0012410700000000, -0.0010156500000000, -0.0015292700000000 ] - [ 0.0077583600000000, 0.0189138000000000, -0.2088738800000000 ] - [ -0.0002484700000000, 0.0001043200000000, 0.0000881700000000 ] - [ -0.0148620800000000, 0.0036803000000000, -0.0083058400000000 ] - [ -0.0003674000000000, -0.0000365600000000, 0.0013142400000000 ] - [ 0.0005328800000000, 0.0004609000000000, 0.0013157800000000 ] - [ 0.0008699700000000, -0.0002230300000000, 0.0012452700000000 ] - [ 0.0008974600000000, -0.0000333300000000, 0.0015745700000000 ] - [ 0.0018405700000000, -0.0000945700000000, 0.0030983900000000 ] - [ 0.0007064900000000, -0.0009513500000000, 0.0028750500000000 ] - [ 0.0006846000000000, 0.0000799000000000, 0.0063986600000000 ] - [ -0.0043448400000000, 0.0144954000000000, -0.0159939000000000 ] - [ -0.0021478600000000, 0.0009932900000000, -0.0041074200000000 ] - [ -0.0005362000000000, -0.0000104300000000, 0.0009031600000000 ] - [ -0.0005586200000000, 0.0043016700000000, -0.0040324900000000 ] - [ -0.0012168800000000, -0.0010705400000000, 0.0018738300000000 ] - [ -0.0065151900000000, 0.0762172900000000, -0.0937640400000000 ] - [ 0.0021885500000000, 0.0000353700000000, -0.0014568800000000 ] - [ 0.0015932400000000, 0.0012193900000000, -0.0014827700000000 ] - [ 0.0008958400000000, -0.0006884200000000, -0.0010544400000000 ] - [ 0.0147163600000000, 0.0018024000000000, -0.0095547100000000 ] - [ -0.0002706700000000, 0.0004767700000000, -0.0005782000000000 ] - [ -0.0002382400000000, -0.0003018000000000, -0.0005424500000000 ] - [ -0.0005399100000000, -0.0000142400000000, 0.0009177600000000 ] - [ -0.0013102000000000, 0.0011207300000000, 0.0020437200000000 ] - [ -0.0002770900000000, 0.0008779400000000, -0.0028886900000000 ] - [ -0.0017190700000000, -0.1364743300000000, 0.3874291800000000 ] - [ 0.0006378600000000, -0.0000281700000000, 0.0005825500000000 ] - [ -0.0028149100000000, 0.0007728200000000, -0.0017109600000000 ] - [ -0.0003835900000000, 0.0047735300000000, 0.0140589600000000 ] - [ -0.0004232000000000, -0.0002070700000000, -0.0007098700000000 ] - [ 0.0214367100000000, 0.0025311500000000, -0.0125949100000000 ] - [ -0.0003479900000000, 0.0001711500000000, -0.0009399200000000 ] - [ 0.0003130600000000, -0.0001577100000000, -0.0036009700000000 ] - [ -0.0015507900000000, 0.0011182200000000, 0.0042207300000000 ] - [ -0.0009820800000000, 0.0000965800000000, -0.0024166400000000 ] - [ 0.0003603500000000, -0.0000471400000000, -0.0007008800000000 ] - [ -0.0001770600000000, -0.0008237300000000, -0.0038742500000000 ] - [ -0.0006431700000000, 0.0006726500000000, 0.0000830500000000 ] - [ -0.0001787900000000, -0.0016950400000000, 0.0022809300000000 ] - [ -0.0003446500000000, 0.0001041600000000, -0.0006453000000000 ] - [ -0.0007322900000000, -0.0005930400000000, 0.0000073200000000 ] - [ 0.0022195800000000, -0.0027195700000000, 0.0010824800000000 ] - [ -0.0083097900000000, 0.0144758200000000, -0.0165547900000000 ] - [ -0.0007318900000000, 0.0001185700000000, -0.0016395300000000 ] - [ -0.0012518900000000, -0.0006093300000000, 0.0011461500000000 ] - [ 0.0039475400000000, 0.0012532600000000, 0.0009848800000000 ] - [ 0.0031406200000000, -0.0019377000000000, 0.0029370600000000 ] - [ -0.0224474100000000, 0.0137674100000000, -0.0058641200000000 ] - [ -0.0001752100000000, -0.0038498800000000, -0.0044248900000000 ] - [ -0.0004555800000000, -0.0023919200000000, 0.0060470500000000 ] - [ -0.0001205600000000, 0.0009663900000000, -0.0000594800000000 ] - [ 0.0002534700000000, -0.0001742800000000, -0.0022946800000000 ] - [ 0.0009010100000000, 0.0001190400000000, -0.0004037800000000 ] - [ 0.0003782600000000, -0.0223314600000000, -0.0191659900000000 ] - [ 0.0005269300000000, -0.0003057500000000, 0.0004642600000000 ] - [ 0.0001522600000000, 0.0004773200000000, -0.0010797100000000 ] - [ 0.0018322900000000, -0.0013670700000000, -0.0010356900000000 ] - [ -0.0040750800000000, -0.0004727800000000, -0.0000785700000000 ] - [ 0.0001645500000000, -0.0004493000000000, -0.0010832500000000 ] - [ -0.0015952100000000, -0.0010492200000000, 0.0020957200000000 ] - [ 0.0008333900000000, 0.0002399800000000, 0.0002638500000000 ] - [ -0.0011543100000000, 0.0015739500000000, 0.0014893700000000 ] - [ -0.0012205900000000, 0.0001499500000000, 0.0011953500000000 ] - [ -0.0001730900000000, -0.0008626700000000, -0.0021768600000000 ] - [ -0.0002310200000000, 0.0000401200000000, -0.0003209300000000 ] - [ 0.0021143000000000, -0.0012409200000000, 0.0044978600000000 ] - [ 0.0004379600000000, 0.0004442400000000, 0.0004251300000000 ] - [ -0.0008939500000000, -0.0003305000000000, 0.0002225700000000 ] - [ 0.0001450100000000, -0.0000047800000000, -0.0002184200000000 ] - [ -0.0001267600000000, -0.0001777600000000, 0.0011565000000000 ] - [ -0.0004717200000000, -0.0000671700000000, 0.0002640400000000 ] - [ 0.0002919400000000, -0.0000163600000000, -0.0005413700000000 ] - [ 0.0001456300000000, -0.0000196300000000, -0.0002203900000000 ] - [ -0.0003719100000000, -0.0001223800000000, -0.0002730600000000 ] - [ -0.0000785200000000, -0.0000639400000000, -0.0004138000000000 ] - [ 0.0018638900000000, 0.0015164900000000, -0.0008921900000000 ] - [ 0.0008288400000000, -0.0002444000000000, 0.0002522400000000 ] - [ -0.0004484300000000, 0.0000069900000000, -0.0004882200000000 ] - [ 0.0001443200000000, -0.0002263700000000, 0.0004105900000000 ] - [ -0.0000913100000000, 0.0009565700000000, -0.0021428700000000 ] - [ 0.0001862900000000, 0.0001240800000000, 0.0003696400000000 ] - [ 0.0001424600000000, -0.0000769400000000, 0.0004145700000000 ] - [ 0.0145710100000000, 0.0205017300000000, -0.0263482500000000 ] - [ 0.0003071400000000, 0.0000143500000000, -0.0002687800000000 ]- atom: 44 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0020553800000000, 0.0000000000000000, 0.0002507600000000 ] - [ -0.0007521100000000, 0.0000000000000000, 0.0005480500000000 ] - [ 0.0002603500000000, 0.0000000000000000, -0.0005159700000000 ] - [ 0.0005107200000000, 0.0000000000000000, 0.0002997300000000 ] - [ 0.0048708000000000, -0.0007726200000000, 0.0016682400000000 ] - [ -0.0009690200000000, 0.0004503400000000, 0.0001553800000000 ] - [ 0.0048708000000000, 0.0007726200000000, 0.0016682400000000 ] - [ -0.0009690200000000, -0.0004503400000000, 0.0001553800000000 ] - [ -0.0010497000000000, -0.0000435000000000, -0.0001404900000000 ] - [ 0.0014159500000000, 0.0005907200000000, -0.0009729300000000 ] - [ -0.0010497000000000, 0.0000435000000000, -0.0001404900000000 ] - [ 0.0014159500000000, -0.0005907200000000, -0.0009729300000000 ] - [ -0.0030256500000000, 0.0000000000000000, -0.0003604600000000 ] - [ 0.0048405700000000, 0.0000000000000000, 0.0005001700000000 ] - [ 0.0189435700000000, 0.0000000000000000, 0.0116261600000000 ] - [ -0.0039110200000000, 0.0000000000000000, 0.0021007400000000 ] - [ -0.0044624300000000, 0.0041591600000000, -0.0016350000000000 ] - [ -0.0012743300000000, 0.0000000000000000, -0.0005026500000000 ] - [ -0.0032610900000000, -0.0001140200000000, 0.0000811600000000 ] - [ -0.0151319800000000, 0.0000000000000000, -0.0049480800000000 ] - [ 0.0031870500000000, 0.0000000000000000, -0.0007696800000000 ] - [ -0.0022978200000000, 0.0000009200000000, -0.0004902100000000 ] - [ -0.0022978200000000, -0.0000009200000000, -0.0004902100000000 ] - [ 0.1918358500000000, 0.0000000000000000, 0.1435259800000000 ] - [ -0.0013187100000000, -0.0018591900000000, 0.0002560400000000 ] - [ -0.0013187100000000, 0.0018591900000000, 0.0002560400000000 ] - [ -0.0044624300000000, -0.0041591600000000, -0.0016350000000000 ] - [ -0.0032610900000000, 0.0001140200000000, 0.0000811600000000 ] - [ -0.0014243500000000, 0.0012226500000000, -0.0027978000000000 ] - [ -0.0034015800000000, 0.0000000000000000, -0.0027438900000000 ] - [ 0.0020908300000000, 0.0019372200000000, -0.0067517200000000 ] - [ -0.0006053300000000, 0.0000000000000000, -0.0023442400000000 ] - [ -0.0024711500000000, 0.0000000000000000, -0.0007030100000000 ] - [ 0.0044512800000000, 0.0012493900000000, 0.0029595100000000 ] - [ 0.0044512800000000, -0.0012493900000000, 0.0029595100000000 ] - [ -0.0019455500000000, 0.0000000000000000, -0.0002273800000000 ] - [ -0.0004576800000000, -0.0000994200000000, 0.0011000000000000 ] - [ -0.0004576800000000, 0.0000994200000000, 0.0011000000000000 ] - [ -0.0014243500000000, -0.0012226500000000, -0.0027978000000000 ] - [ 0.0020908300000000, -0.0019372200000000, -0.0067517200000000 ] - [ -0.0005339400000000, 0.0011843500000000, -0.0010584900000000 ] - [ 0.0007609300000000, -0.0010716700000000, 0.0018074400000000 ] - [ 0.0017301800000000, -0.0007444900000000, -0.0001960700000000 ] - [ -0.2504136300000000, 0.0000000000000000, -0.2024170900000000 ] - [ 0.0007609300000000, 0.0010716700000000, 0.0018074400000000 ] - [ 0.0012520700000000, 0.0003395400000000, 0.0000918000000000 ] - [ 0.0039581500000000, -0.0005340900000000, 0.0006880800000000 ] - [ 0.0012520700000000, -0.0003395400000000, 0.0000918000000000 ] - [ -0.0030282900000000, 0.0000000000000000, 0.0003369400000000 ] - [ 0.0008502000000000, -0.0002777600000000, -0.0001075300000000 ] - [ 0.0018464800000000, -0.0003453400000000, -0.0005786800000000 ] - [ 0.0015676400000000, 0.0000000000000000, 0.0004273500000000 ] - [ -0.0005339400000000, -0.0011843500000000, -0.0010584900000000 ] - [ 0.0007828200000000, 0.0004226800000000, 0.0006483200000000 ] - [ 0.0065252400000000, 0.0070082800000000, 0.0029306700000000 ] - [ 0.0008424700000000, 0.0000000000000000, 0.0003039500000000 ] - [ 0.0007828200000000, -0.0004226800000000, 0.0006483200000000 ] - [ 0.0010905800000000, 0.0000000000000000, -0.0003110400000000 ] - [ 0.0065252400000000, -0.0070082800000000, 0.0029306700000000 ] - [ 0.0018464800000000, 0.0003453400000000, -0.0005786800000000 ] - [ 0.0025199200000000, 0.0000000000000000, 0.0004977200000000 ] - [ 0.0017301800000000, 0.0007444900000000, -0.0001960700000000 ] - [ 0.0039581500000000, 0.0005340900000000, 0.0006880800000000 ] - [ 0.0015253300000000, 0.0000000000000000, 0.0005189100000000 ] - [ 0.0005519000000000, -0.0011192700000000, 0.0013171900000000 ] - [ 0.0008502000000000, 0.0002777600000000, -0.0001075300000000 ] - [ 0.0005519000000000, 0.0011192700000000, 0.0013171900000000 ] - [ 0.0016079000000000, 0.0000000000000000, -0.0016801700000000 ] - [ 0.0058605700000000, 0.0000000000000000, -0.0022230800000000 ] - [ 0.0010356500000000, 0.0000000000000000, -0.0000172800000000 ] - [ 0.0010003200000000, -0.0001987900000000, -0.0002809700000000 ] - [ 0.0027929500000000, -0.0019314800000000, 0.0030902000000000 ] - [ -0.0026145400000000, 0.0020338800000000, 0.0015106100000000 ] - [ 0.0008978200000000, 0.0000000000000000, 0.0009957600000000 ] - [ 0.0027929500000000, 0.0019314800000000, 0.0030902000000000 ] - [ -0.0055166000000000, -0.0034141600000000, 0.0006389800000000 ] - [ 0.0004222300000000, -0.0005292800000000, 0.0020804300000000 ] - [ -0.0055166000000000, 0.0034141600000000, 0.0006389800000000 ] - [ 0.0010474600000000, 0.0000000000000000, -0.0008470300000000 ] - [ -0.0020889100000000, 0.0053812400000000, 0.0134453100000000 ] - [ -0.0016209900000000, -0.0002189600000000, -0.0010808100000000 ] - [ 0.0048996200000000, 0.0000000000000000, 0.0079491800000000 ] - [ 0.0010003200000000, 0.0001987900000000, -0.0002809700000000 ] - [ -0.0019145800000000, 0.0014176200000000, -0.0011116000000000 ] - [ 0.0015196800000000, 0.0012032100000000, 0.0006172400000000 ] - [ -0.0014408100000000, 0.0000000000000000, -0.0006792300000000 ] - [ -0.0019145800000000, -0.0014176200000000, -0.0011116000000000 ] - [ -0.0013274000000000, 0.0000000000000000, 0.0026432800000000 ] - [ 0.0015196800000000, -0.0012032100000000, 0.0006172400000000 ] - [ -0.0016209900000000, 0.0002189600000000, -0.0010808100000000 ] - [ -0.0006149300000000, 0.0000000000000000, -0.0003420100000000 ] - [ -0.0026145400000000, -0.0020338800000000, 0.0015106100000000 ] - [ 0.0004222300000000, 0.0005292800000000, 0.0020804300000000 ] - [ 0.0330635700000000, 0.0000000000000000, 0.0115937200000000 ] - [ 0.0005027000000000, -0.0006601700000000, -0.0002168600000000 ] - [ -0.0020889100000000, -0.0053812400000000, 0.0134453100000000 ] - [ 0.0005027000000000, 0.0006601700000000, -0.0002168600000000 ] - [ 0.0003364400000000, 0.0000000000000000, -0.0002134500000000 ] - [ -0.0007869800000000, 0.0000000000000000, 0.0014571800000000 ] - [ 0.0007243400000000, 0.0000000000000000, 0.0009352100000000 ]- atom: 44 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0020581500000000, 0.0000000000000000, -0.0005016700000000 ] - [ 0.0007494600000000, 0.0000000000000000, -0.0002998900000000 ] - [ -0.0002555800000000, 0.0000000000000000, 0.0002666400000000 ] - [ -0.0005034500000000, 0.0000000000000000, -0.0000493000000000 ] - [ -0.0053945500000000, 0.0006816400000000, -0.0016423300000000 ] - [ 0.0014504200000000, -0.0004464700000000, -0.0001557600000000 ] - [ -0.0053945500000000, -0.0006816400000000, -0.0016423300000000 ] - [ 0.0014504200000000, 0.0004464700000000, -0.0001557600000000 ] - [ 0.0005666600000000, 0.0000429600000000, 0.0001409700000000 ] - [ -0.0009394400000000, -0.0005922000000000, 0.0009738700000000 ] - [ 0.0005666600000000, -0.0000429600000000, 0.0001409700000000 ] - [ -0.0009394400000000, 0.0005922000000000, 0.0009738700000000 ] - [ 0.0030279400000000, 0.0000000000000000, 0.0003598300000000 ] - [ -0.0048585100000000, 0.0000000000000000, -0.0004922700000000 ] - [ -0.0191222200000000, 0.0000000000000000, -0.0123478800000000 ] - [ 0.0039058000000000, 0.0000000000000000, -0.0020833300000000 ] - [ 0.0039983700000000, -0.0037434600000000, 0.0023587500000000 ] - [ 0.0006567900000000, 0.0000000000000000, -0.0003201400000000 ] - [ 0.0037199600000000, 0.0005327900000000, 0.0006445800000000 ] - [ 0.0144259800000000, 0.0000000000000000, 0.0057200900000000 ] - [ -0.0025334400000000, 0.0000000000000000, -0.0000251200000000 ] - [ 0.0027530600000000, 0.0004206600000000, -0.0002337900000000 ] - [ 0.0027530600000000, -0.0004206600000000, -0.0002337900000000 ] - [ -0.1846546100000000, 0.0000000000000000, -0.1343778200000000 ] - [ 0.0008497000000000, 0.0022876800000000, -0.0009797500000000 ] - [ 0.0008497000000000, -0.0022876800000000, -0.0009797500000000 ] - [ 0.0039983700000000, 0.0037434600000000, 0.0023587500000000 ] - [ 0.0037199600000000, -0.0005327900000000, 0.0006445800000000 ] - [ 0.0009872700000000, -0.0007952700000000, 0.0034933600000000 ] - [ 0.0027565400000000, 0.0000000000000000, 0.0019294300000000 ] - [ -0.0016299600000000, -0.0015248300000000, 0.0075237500000000 ] - [ -0.0000387300000000, 0.0000000000000000, 0.0031699700000000 ] - [ 0.0031045000000000, 0.0000000000000000, -0.0001128500000000 ] - [ -0.0039661400000000, -0.0008182000000000, -0.0037017200000000 ] - [ -0.0039661400000000, 0.0008182000000000, -0.0037017200000000 ] - [ 0.0025786000000000, 0.0000000000000000, 0.0010477000000000 ] - [ 0.0000125600000000, 0.0005151600000000, -0.0018144200000000 ] - [ 0.0000125600000000, -0.0005151600000000, -0.0018144200000000 ] - [ 0.0009872700000000, 0.0007952700000000, 0.0034933600000000 ] - [ -0.0016299600000000, 0.0015248300000000, 0.0075237500000000 ] - [ 0.0010865400000000, -0.0015326100000000, 0.0011865100000000 ] - [ -0.0005346200000000, 0.0016226900000000, -0.0028006700000000 ] - [ -0.0022721700000000, 0.0010862700000000, 0.0000650300000000 ] - [ 0.2428634000000000, 0.0000000000000000, 0.1947083200000000 ] - [ -0.0005346200000000, -0.0016226900000000, -0.0028006700000000 ] - [ -0.0017939600000000, -0.0006838900000000, 0.0000401300000000 ] - [ -0.0039603800000000, 0.0005776800000000, 0.0002502300000000 ] - [ -0.0017939600000000, 0.0006838900000000, 0.0000401300000000 ] - [ 0.0020080500000000, 0.0000000000000000, -0.0004405300000000 ] - [ -0.0010754100000000, -0.0002693800000000, -0.0008788600000000 ] - [ -0.0018414500000000, 0.0003048500000000, -0.0003594400000000 ] - [ -0.0005492800000000, 0.0000000000000000, -0.0005239700000000 ] - [ 0.0010865400000000, 0.0015326100000000, 0.0011865100000000 ] - [ -0.0010067700000000, 0.0001232100000000, 0.0003364500000000 ] - [ -0.0060151900000000, -0.0067095700000000, -0.0030875000000000 ] - [ -0.0012534500000000, 0.0000000000000000, 0.0000674900000000 ] - [ -0.0010067700000000, -0.0001232100000000, 0.0003364500000000 ] - [ -0.0015031700000000, 0.0000000000000000, -0.0000595000000000 ] - [ -0.0060151900000000, 0.0067095700000000, -0.0030875000000000 ] - [ -0.0018414500000000, -0.0003048500000000, -0.0003594400000000 ] - [ -0.0025189400000000, 0.0000000000000000, -0.0005227100000000 ] - [ -0.0022721700000000, -0.0010862700000000, 0.0000650300000000 ] - [ -0.0039603800000000, -0.0005776800000000, 0.0002502300000000 ] - [ -0.0015222800000000, 0.0000000000000000, -0.0004976800000000 ] - [ -0.0003245200000000, 0.0005761200000000, -0.0003361600000000 ] - [ -0.0010754100000000, 0.0002693800000000, -0.0008788600000000 ] - [ -0.0003245200000000, -0.0005761200000000, -0.0003361600000000 ] - [ -0.0011954500000000, 0.0000000000000000, 0.0020574100000000 ] - [ -0.0048014900000000, 0.0000000000000000, 0.0023053300000000 ] - [ -0.0006211100000000, 0.0000000000000000, -0.0003517700000000 ] - [ -0.0004620800000000, -0.0001406900000000, 0.0004068800000000 ] - [ -0.0025518200000000, 0.0024533100000000, -0.0040372600000000 ] - [ 0.0020728100000000, -0.0016923600000000, -0.0016424400000000 ] - [ -0.0019197700000000, 0.0000000000000000, -0.0008999900000000 ] - [ -0.0025518200000000, -0.0024533100000000, -0.0040372600000000 ] - [ 0.0049828700000000, 0.0030597100000000, -0.0004801800000000 ] - [ -0.0004476600000000, 0.0005711600000000, -0.0011478500000000 ] - [ 0.0049828700000000, -0.0030597100000000, -0.0004801800000000 ] - [ -0.0020679200000000, 0.0000000000000000, 0.0007477900000000 ] - [ 0.0017681500000000, -0.0059349000000000, -0.0144641100000000 ] - [ 0.0016028300000000, 0.0001751800000000, 0.0001421100000000 ] - [ -0.0038957100000000, 0.0000000000000000, -0.0080663300000000 ] - [ -0.0004620800000000, 0.0001406900000000, 0.0004068800000000 ] - [ 0.0016690000000000, -0.0008876800000000, 0.0021012100000000 ] - [ -0.0009802300000000, -0.0008567800000000, -0.0007417800000000 ] - [ 0.0010244000000000, 0.0000000000000000, 0.0010551300000000 ] - [ 0.0016690000000000, 0.0008876800000000, 0.0021012100000000 ] - [ 0.0009130200000000, 0.0000000000000000, -0.0030220700000000 ] - [ -0.0009802300000000, 0.0008567800000000, -0.0007417800000000 ] - [ 0.0016028300000000, -0.0001751800000000, 0.0001421100000000 ] - [ 0.0005940800000000, 0.0000000000000000, 0.0003160100000000 ] - [ 0.0020728100000000, 0.0016923600000000, -0.0016424400000000 ] - [ -0.0004476600000000, -0.0005711600000000, -0.0011478500000000 ] - [ -0.0325070900000000, 0.0000000000000000, -0.0113887900000000 ] - [ -0.0002818700000000, 0.0001090700000000, 0.0011979800000000 ] - [ 0.0017681500000000, 0.0059349000000000, -0.0144641100000000 ] - [ -0.0002818700000000, -0.0001090700000000, 0.0011979800000000 ] - [ 0.0000717200000000, 0.0000000000000000, 0.0005813700000000 ] - [ 0.0018169300000000, 0.0000000000000000, -0.0013679300000000 ] - [ -0.0003170500000000, 0.0000000000000000, -0.0012965900000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000002800000000, 0.0004765100000000, -0.0001256500000000 ] - [ 0.0000007600000000, -0.0002739500000000, 0.0001252900000000 ] - [ -0.0000007100000000, -0.0005714000000000, -0.0001247600000000 ] - [ -0.0000002700000000, 0.0006441800000000, 0.0001253800000000 ] - [ -0.0012650400000000, 0.0013567100000000, 0.0002899300000000 ] - [ 0.0002807500000000, -0.0000032400000000, 0.0000046300000000 ] - [ 0.0006277600000000, 0.0016751000000000, -0.0001770500000000 ] - [ 0.0002043000000000, -0.0000016500000000, -0.0000054500000000 ] - [ -0.0002804900000000, 0.0000028000000000, -0.0000010400000000 ] - [ 0.0005454800000000, -0.0000096900000000, 0.0001897300000000 ] - [ -0.0002039400000000, 0.0000027600000000, 0.0000014700000000 ] - [ -0.0000602700000000, -0.0000128800000000, -0.0001902500000000 ] - [ 0.0000003800000000, -0.0003297000000000, -0.0000001000000000 ] - [ -0.0000001300000000, -0.0030430800000000, -0.0000072400000000 ] - [ 0.0000544500000000, 0.0099079900000000, 0.0000908700000000 ] - [ 0.0000016900000000, 0.0003365400000000, -0.0000029700000000 ] - [ 0.0013586500000000, -0.0028072500000000, 0.0011101200000000 ] - [ -0.0003237700000000, -0.0008032000000000, -0.0004102800000000 ] - [ 0.0007824600000000, -0.0000082400000000, 0.0004713200000000 ] - [ -0.0002935200000000, 0.0000546000000000, 0.0004199200000000 ] - [ 0.0003093000000000, -0.0093168200000000, -0.0004272900000000 ] - [ 0.0000343200000000, 0.0003185800000000, -0.0003273200000000 ] - [ 0.0004286600000000, -0.0001003600000000, -0.0004010400000000 ] - [ -0.0003601700000000, 0.0370578300000000, -0.0002275000000000 ] - [ -0.0011052700000000, 0.0012965000000000, 0.0001360100000000 ] - [ 0.0006483000000000, 0.0008839700000000, -0.0008696800000000 ] - [ -0.0018176900000000, -0.0032297700000000, -0.0003794100000000 ] - [ -0.0003194500000000, -0.0004287000000000, 0.0002572300000000 ] - [ 0.0014158900000000, 0.0007905400000000, 0.0001714500000000 ] - [ -0.0003229400000000, 0.0006790500000000, -0.0004155200000000 ] - [ -0.0003368100000000, 0.0014634200000000, 0.0080863600000000 ] - [ -0.0003155400000000, -0.0010483400000000, 0.0004105800000000 ] - [ 0.0003163100000000, 0.0001314300000000, -0.0004111400000000 ] - [ -0.0014692100000000, -0.0033936400000000, 0.0039789800000000 ] - [ 0.0019258700000000, -0.0038261800000000, -0.0046667600000000 ] - [ 0.0003169800000000, -0.0002172800000000, 0.0004107200000000 ] - [ -0.0012978000000000, -0.0002297600000000, -0.0003465800000000 ] - [ 0.0008292200000000, -0.0006517500000000, -0.0003814500000000 ] - [ -0.0018777200000000, 0.0003741000000000, 0.0005650400000000 ] - [ 0.0007950400000000, 0.0010446100000000, -0.0073225900000000 ] - [ 0.0010322300000000, 0.0003644900000000, -0.0009161900000000 ] - [ -0.0001747800000000, 0.0011994900000000, -0.0012686500000000 ] - [ -0.0001445100000000, 0.0000997600000000, -0.0000561500000000 ] - [ 0.0002549800000000, -0.0566743900000000, 0.0003828000000000 ] - [ 0.0004004400000000, 0.0006559800000000, 0.0002822300000000 ] - [ -0.0002350800000000, -0.0001278400000000, 0.0000562500000000 ] - [ -0.0011054000000000, 0.0005134300000000, 0.0004416900000000 ] - [ -0.0003091600000000, 0.0002144200000000, 0.0000757200000000 ] - [ -0.0005147600000000, 0.0032554200000000, -0.0000369900000000 ] - [ -0.0000299100000000, -0.0001635600000000, -0.0003731100000000 ] - [ -0.0003247300000000, -0.0001953900000000, -0.0004307100000000 ] - [ 0.0005158500000000, 0.0001547600000000, -0.0000443100000000 ] - [ -0.0004948800000000, 0.0007048800000000, 0.0010534000000000 ] - [ -0.0000864900000000, 0.0002134900000000, 0.0004458800000000 ] - [ 0.0044301800000000, 0.0014745400000000, 0.0026768300000000 ] - [ -0.0002053900000000, -0.0001487200000000, 0.0001861700000000 ] - [ -0.0001397600000000, -0.0003309400000000, 0.0005396700000000 ] - [ -0.0002044100000000, 0.0003549900000000, -0.0001867500000000 ] - [ -0.0039041000000000, 0.0011189900000000, -0.0028271800000000 ] - [ 0.0003220000000000, -0.0001451200000000, -0.0004969200000000 ] - [ 0.0000017000000000, -0.0001274000000000, -0.0000073000000000 ] - [ -0.0004000000000000, -0.0002435100000000, -0.0000741400000000 ] - [ 0.0011017300000000, 0.0004640600000000, 0.0004861200000000 ] - [ -0.0000007600000000, 0.0001905700000000, 0.0000068100000000 ] - [ -0.0000394000000000, -0.0006263400000000, 0.0006538100000000 ] - [ -0.0001975500000000, 0.0003797800000000, -0.0006115200000000 ] - [ 0.0002666400000000, -0.0000783600000000, 0.0003367800000000 ] - [ 0.0002047300000000, -0.0011092700000000, 0.0001868400000000 ] - [ 0.0005068600000000, -0.0000525500000000, 0.0000479200000000 ] - [ 0.0002027600000000, 0.0019461400000000, -0.0001877000000000 ] - [ 0.0005377200000000, -0.0002890400000000, 0.0000718900000000 ] - [ -0.0000881300000000, -0.0001579100000000, -0.0000251000000000 ] - [ -0.0009814800000000, 0.0012725000000000, 0.0011428100000000 ] - [ -0.0005145300000000, 0.0000750300000000, 0.0000450700000000 ] - [ 0.0003076000000000, -0.0007087400000000, -0.0009712800000000 ] - [ -0.0004690300000000, 0.0002779500000000, -0.0031126300000000 ] - [ -0.0019713700000000, 0.0000830200000000, -0.0012696600000000 ] - [ -0.0000822100000000, 0.0006361900000000, 0.0032267300000000 ] - [ -0.0005148200000000, -0.0000657900000000, -0.0000446000000000 ] - [ 0.0078975300000000, 0.0020152400000000, 0.0199118200000000 ] - [ -0.0011380800000000, 0.0002788000000000, 0.0000730600000000 ] - [ 0.0005240900000000, -0.0002340400000000, -0.0000296700000000 ] - [ 0.0000064200000000, 0.0000553600000000, 0.0000590300000000 ] - [ 0.0023562000000000, 0.0080661400000000, -0.0007671500000000 ] - [ 0.0006699500000000, 0.0003209100000000, -0.0001189200000000 ] - [ -0.0002056500000000, 0.0027914400000000, 0.0001794800000000 ] - [ -0.0025529000000000, 0.0074683000000000, 0.0017281700000000 ] - [ -0.0002060600000000, -0.0036238300000000, -0.0001853300000000 ] - [ -0.0001284400000000, -0.0000189500000000, -0.0000150800000000 ] - [ 0.0011446900000000, 0.0003241600000000, -0.0010056000000000 ] - [ 0.0000078600000000, 0.0013390900000000, -0.0000034300000000 ] - [ 0.0004414100000000, 0.0009342000000000, -0.0012748200000000 ] - [ 0.0019745400000000, 0.0000344300000000, 0.0021965300000000 ] - [ -0.0000448600000000, -0.0058434900000000, -0.0000144600000000 ] - [ -0.0001444000000000, 0.0000224500000000, 0.0003413400000000 ] - [ -0.0080782400000000, 0.0025654100000000, -0.0207903800000000 ] - [ 0.0003738600000000, 0.0005639200000000, 0.0006423500000000 ] - [ 0.0002052600000000, 0.0005613200000000, 0.0001861500000000 ] - [ 0.0005135600000000, 0.0004900300000000, 0.0000462700000000 ] - [ 0.0002044000000000, -0.0007062100000000, -0.0001878300000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008495300000000, 0.0000000000000000, 0.0008082800000000 ] - [ -0.0000717400000000, 0.0000000000000000, 0.0007851800000000 ] - [ -0.0000250700000000, 0.0000000000000000, -0.0015117300000000 ] - [ 0.0013476700000000, 0.0000000000000000, -0.0018960400000000 ] - [ 0.0023513100000000, 0.0011812800000000, 0.0054829900000000 ] - [ -0.0003436300000000, 0.0002163400000000, 0.0003764500000000 ] - [ 0.0023513100000000, -0.0011812800000000, 0.0054829900000000 ] - [ -0.0003436300000000, -0.0002163400000000, 0.0003764500000000 ] - [ -0.0006862500000000, -0.0000272300000000, -0.0004006700000000 ] - [ 0.0007261600000000, 0.0009853300000000, -0.0024193200000000 ] - [ -0.0006862500000000, 0.0000272300000000, -0.0004006700000000 ] - [ 0.0007261600000000, -0.0009853300000000, -0.0024193200000000 ] - [ -0.0019499400000000, 0.0000000000000000, -0.0000367200000000 ] - [ 0.0040198900000000, 0.0000000000000000, -0.0011638200000000 ] - [ 0.0148456900000000, 0.0000000000000000, 0.0332770700000000 ] - [ -0.0014559200000000, 0.0000000000000000, 0.0011263500000000 ] - [ -0.0039295000000000, 0.0035908300000000, -0.0008743600000000 ] - [ -0.0012152300000000, 0.0000000000000000, 0.0012082700000000 ] - [ -0.0019126400000000, 0.0001204500000000, 0.0001635300000000 ] - [ -0.0062219600000000, 0.0000000000000000, 0.0003578800000000 ] - [ 0.0005653700000000, 0.0000000000000000, 0.0066008200000000 ] - [ -0.0003075500000000, 0.0000003800000000, -0.0009056900000000 ] - [ -0.0003075500000000, -0.0000003800000000, -0.0009056900000000 ] - [ 0.1382308600000000, 0.0000000000000000, 0.1657035900000000 ] - [ 0.0018877600000000, 0.0006271700000000, -0.0031162900000000 ] - [ 0.0018877600000000, -0.0006271700000000, -0.0031162900000000 ] - [ -0.0039295000000000, -0.0035908300000000, -0.0008743600000000 ] - [ -0.0019126400000000, -0.0001204500000000, 0.0001635300000000 ] - [ -0.0040965900000000, 0.0005608600000000, -0.0003050000000000 ] - [ -0.0053506200000000, 0.0000000000000000, -0.0065948900000000 ] - [ 0.0007116700000000, 0.0034586500000000, -0.0159815700000000 ] - [ -0.0003030800000000, 0.0000000000000000, -0.0030501000000000 ] - [ -0.0016518100000000, 0.0000000000000000, -0.0015054100000000 ] - [ 0.0062708100000000, 0.0065029900000000, 0.0026319400000000 ] - [ 0.0062708100000000, -0.0065029900000000, 0.0026319400000000 ] - [ -0.0010696400000000, 0.0000000000000000, -0.0004935800000000 ] - [ 0.0015745600000000, 0.0003390000000000, 0.0008586900000000 ] - [ 0.0015745600000000, -0.0003390000000000, 0.0008586900000000 ] - [ -0.0040965900000000, -0.0005608600000000, -0.0003050000000000 ] - [ 0.0007116700000000, -0.0034586500000000, -0.0159815700000000 ] - [ -0.0016006800000000, -0.0002137800000000, 0.0003900400000000 ] - [ 0.0008083200000000, -0.0009550400000000, 0.0012614700000000 ] - [ 0.0007400000000000, -0.0002866600000000, -0.0002590300000000 ] - [ -0.2022428200000000, 0.0000000000000000, -0.2562926600000000 ] - [ 0.0008083200000000, 0.0009550400000000, 0.0012614700000000 ] - [ 0.0003588100000000, 0.0000633100000000, 0.0000167800000000 ] - [ 0.0028768400000000, -0.0003862700000000, 0.0004868600000000 ] - [ 0.0003588100000000, -0.0000633100000000, 0.0000167800000000 ] - [ -0.0008965700000000, 0.0000000000000000, -0.0022053000000000 ] - [ 0.0004674200000000, -0.0001770100000000, -0.0000449000000000 ] - [ -0.0003407300000000, 0.0000601800000000, -0.0002191600000000 ] - [ 0.0009827300000000, 0.0000000000000000, -0.0004332400000000 ] - [ -0.0016006800000000, 0.0002137800000000, 0.0003900400000000 ] - [ 0.0003578700000000, 0.0005491400000000, 0.0011482400000000 ] - [ 0.0060085800000000, 0.0064178100000000, -0.0020534100000000 ] - [ 0.0000858100000000, 0.0000000000000000, 0.0002744000000000 ] - [ 0.0003578700000000, -0.0005491400000000, 0.0011482400000000 ] - [ 0.0005761200000000, 0.0000000000000000, -0.0003381500000000 ] - [ 0.0060085800000000, -0.0064178100000000, -0.0020534100000000 ] - [ -0.0003407300000000, -0.0000601800000000, -0.0002191600000000 ] - [ 0.0025141600000000, 0.0000000000000000, 0.0010310700000000 ] - [ 0.0007400000000000, 0.0002866600000000, -0.0002590300000000 ] - [ 0.0028768400000000, 0.0003862700000000, 0.0004868600000000 ] - [ 0.0008915000000000, 0.0000000000000000, 0.0007359600000000 ] - [ 0.0005449800000000, -0.0015828800000000, 0.0040342600000000 ] - [ 0.0004674200000000, 0.0001770100000000, -0.0000449000000000 ] - [ 0.0005449800000000, 0.0015828800000000, 0.0040342600000000 ] - [ -0.0019379900000000, 0.0000000000000000, 0.0015442100000000 ] - [ 0.0027549800000000, 0.0000000000000000, -0.0016456200000000 ] - [ 0.0008934500000000, 0.0000000000000000, -0.0004274600000000 ] - [ 0.0000078200000000, -0.0000228900000000, 0.0000322000000000 ] - [ 0.0016275700000000, -0.0000394000000000, -0.0003868000000000 ] - [ -0.0025526300000000, 0.0027758000000000, 0.0036343500000000 ] - [ 0.0004333400000000, 0.0000000000000000, 0.0009528100000000 ] - [ 0.0016275700000000, 0.0000394000000000, -0.0003868000000000 ] - [ -0.0042154900000000, -0.0079749000000000, 0.0052795500000000 ] - [ 0.0040782300000000, -0.0008772000000000, 0.0040253500000000 ] - [ -0.0042154900000000, 0.0079749000000000, 0.0052795500000000 ] - [ 0.0002810900000000, 0.0000000000000000, -0.0000832400000000 ] - [ 0.0131715500000000, 0.0140218600000000, 0.0258661000000000 ] - [ -0.0033428700000000, 0.0005542300000000, -0.0006965000000000 ] - [ 0.0084789600000000, 0.0000000000000000, 0.0138961400000000 ] - [ 0.0000078200000000, 0.0000228900000000, 0.0000322000000000 ] - [ -0.0013608000000000, -0.0018464200000000, -0.0040271900000000 ] - [ 0.0017680600000000, 0.0010573200000000, 0.0003020400000000 ] - [ -0.0015926900000000, 0.0000000000000000, -0.0003488100000000 ] - [ -0.0013608000000000, 0.0018464200000000, -0.0040271900000000 ] - [ -0.0008801500000000, 0.0000000000000000, 0.0054899400000000 ] - [ 0.0017680600000000, -0.0010573200000000, 0.0003020400000000 ] - [ -0.0033428700000000, -0.0005542300000000, -0.0006965000000000 ] - [ -0.0000217100000000, 0.0000000000000000, -0.0018119200000000 ] - [ -0.0025526300000000, -0.0027758000000000, 0.0036343500000000 ] - [ 0.0040782300000000, 0.0008772000000000, 0.0040253500000000 ] - [ 0.0073993000000000, 0.0000000000000000, -0.0041698100000000 ] - [ 0.0000490400000000, -0.0001352100000000, -0.0007436500000000 ] - [ 0.0131715500000000, -0.0140218600000000, 0.0258661000000000 ] - [ 0.0000490400000000, 0.0001352100000000, -0.0007436500000000 ] - [ -0.0003620900000000, 0.0000000000000000, 0.0000784800000000 ] - [ -0.0008996900000000, 0.0000000000000000, 0.0026094000000000 ] - [ 0.0013013400000000, 0.0000000000000000, 0.0004140300000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0008540000000000, 0.0000000000000000, -0.0010629100000000 ] - [ 0.0000731000000000, 0.0000000000000000, -0.0005382100000000 ] - [ 0.0000202600000000, 0.0000000000000000, 0.0012650700000000 ] - [ -0.0013611800000000, 0.0000000000000000, 0.0021449900000000 ] - [ -0.0028753000000000, -0.0012359000000000, -0.0054831300000000 ] - [ 0.0008349100000000, -0.0002193400000000, -0.0003771800000000 ] - [ -0.0028753000000000, 0.0012359000000000, -0.0054831300000000 ] - [ 0.0008349100000000, 0.0002193400000000, -0.0003771800000000 ] - [ 0.0002060400000000, 0.0000270800000000, 0.0004026500000000 ] - [ -0.0002440100000000, -0.0009981800000000, 0.0024345000000000 ] - [ 0.0002060400000000, -0.0000270800000000, 0.0004026500000000 ] - [ -0.0002440100000000, 0.0009981800000000, 0.0024345000000000 ] - [ 0.0019631400000000, 0.0000000000000000, 0.0000448700000000 ] - [ -0.0040297300000000, 0.0000000000000000, 0.0011943500000000 ] - [ -0.0162599100000000, 0.0000000000000000, -0.0352914200000000 ] - [ 0.0014776800000000, 0.0000000000000000, -0.0011448100000000 ] - [ 0.0034924700000000, -0.0031939500000000, 0.0015995900000000 ] - [ 0.0005929700000000, 0.0000000000000000, -0.0020262200000000 ] - [ 0.0023899200000000, 0.0003014600000000, 0.0005595600000000 ] - [ 0.0057054800000000, 0.0000000000000000, 0.0005080500000000 ] - [ 0.0000714700000000, 0.0000000000000000, -0.0073833300000000 ] - [ 0.0007752600000000, 0.0004204900000000, 0.0001885100000000 ] - [ 0.0007752600000000, -0.0004204900000000, 0.0001885100000000 ] - [ -0.1299186700000000, 0.0000000000000000, -0.1600595300000000 ] - [ -0.0023536100000000, -0.0002076000000000, 0.0024209900000000 ] - [ -0.0023536100000000, 0.0002076000000000, 0.0024209900000000 ] - [ 0.0034924700000000, 0.0031939500000000, 0.0015995900000000 ] - [ 0.0023899200000000, -0.0003014600000000, 0.0005595600000000 ] - [ 0.0036272500000000, -0.0001477300000000, 0.0010602000000000 ] - [ 0.0047677200000000, 0.0000000000000000, 0.0058309100000000 ] - [ -0.0002607100000000, -0.0030471200000000, 0.0167189300000000 ] - [ -0.0003254900000000, 0.0000000000000000, 0.0038863700000000 ] - [ 0.0023099400000000, 0.0000000000000000, 0.0006976100000000 ] - [ -0.0058620800000000, -0.0061270200000000, -0.0034509700000000 ] - [ -0.0058620800000000, 0.0061270200000000, -0.0034509700000000 ] - [ 0.0017178500000000, 0.0000000000000000, 0.0013152600000000 ] - [ -0.0020368200000000, 0.0000820400000000, -0.0015989300000000 ] - [ -0.0020368200000000, -0.0000820400000000, -0.0015989300000000 ] - [ 0.0036272500000000, 0.0001477300000000, 0.0010602000000000 ] - [ -0.0002607100000000, 0.0030471200000000, 0.0167189300000000 ] - [ 0.0021524800000000, -0.0001298400000000, -0.0002727700000000 ] - [ -0.0005889700000000, 0.0015100800000000, -0.0022492500000000 ] - [ -0.0012932700000000, 0.0006361700000000, 0.0001332500000000 ] - [ 0.1948756900000000, 0.0000000000000000, 0.2534228800000000 ] - [ -0.0005889700000000, -0.0015100800000000, -0.0022492500000000 ] - [ -0.0009076000000000, -0.0004094200000000, 0.0001123300000000 ] - [ -0.0028962900000000, 0.0004292300000000, 0.0004535500000000 ] - [ -0.0009076000000000, 0.0004094200000000, 0.0001123300000000 ] - [ -0.0001195200000000, 0.0000000000000000, 0.0020907200000000 ] - [ -0.0006980800000000, -0.0003699600000000, -0.0009387400000000 ] - [ 0.0003374200000000, -0.0001011900000000, -0.0007227700000000 ] - [ 0.0000321000000000, 0.0000000000000000, 0.0003335100000000 ] - [ 0.0021524800000000, 0.0001298400000000, -0.0002727700000000 ] - [ -0.0005877700000000, -0.0000043700000000, -0.0001682800000000 ] - [ -0.0054934400000000, -0.0061265800000000, 0.0019776300000000 ] - [ -0.0005023300000000, 0.0000000000000000, 0.0000942800000000 ] - [ -0.0005877700000000, 0.0000043700000000, -0.0001682800000000 ] - [ -0.0009946200000000, 0.0000000000000000, -0.0000298300000000 ] - [ -0.0054934400000000, 0.0061265800000000, 0.0019776300000000 ] - [ 0.0003374200000000, 0.0001011900000000, -0.0007227700000000 ] - [ -0.0025442000000000, 0.0000000000000000, -0.0010615400000000 ] - [ -0.0012932700000000, -0.0006361700000000, 0.0001332500000000 ] - [ -0.0028962900000000, -0.0004292300000000, 0.0004535500000000 ] - [ -0.0009017300000000, 0.0000000000000000, -0.0007151800000000 ] - [ -0.0003289300000000, 0.0010493500000000, -0.0030829700000000 ] - [ -0.0006980800000000, 0.0003699600000000, -0.0009387400000000 ] - [ -0.0003289300000000, -0.0010493500000000, -0.0030829700000000 ] - [ 0.0023593800000000, 0.0000000000000000, -0.0011893700000000 ] - [ -0.0017726200000000, 0.0000000000000000, 0.0017575900000000 ] - [ -0.0004832300000000, 0.0000000000000000, 0.0000610400000000 ] - [ 0.0005329600000000, -0.0003215700000000, 0.0001016700000000 ] - [ -0.0014209900000000, 0.0006050200000000, -0.0006330900000000 ] - [ 0.0020101500000000, -0.0024279200000000, -0.0037681300000000 ] - [ -0.0014626300000000, 0.0000000000000000, -0.0008617000000000 ] - [ -0.0014209900000000, -0.0006050200000000, -0.0006330900000000 ] - [ 0.0037289400000000, 0.0077289100000000, -0.0051879500000000 ] - [ -0.0040577900000000, 0.0009189700000000, -0.0030819200000000 ] - [ 0.0037289400000000, -0.0077289100000000, -0.0051879500000000 ] - [ -0.0013130300000000, 0.0000000000000000, -0.0000072600000000 ] - [ -0.0131918300000000, -0.0143593700000000, -0.0266897500000000 ] - [ 0.0033638500000000, -0.0005993900000000, -0.0002274400000000 ] - [ -0.0075382000000000, 0.0000000000000000, -0.0141501500000000 ] - [ 0.0005329600000000, 0.0003215700000000, 0.0001016700000000 ] - [ 0.0011310800000000, 0.0023637600000000, 0.0050544000000000 ] - [ -0.0012271400000000, -0.0007170400000000, -0.0004375200000000 ] - [ 0.0011962300000000, 0.0000000000000000, 0.0007457500000000 ] - [ 0.0011310800000000, -0.0023637600000000, 0.0050544000000000 ] - [ 0.0004731300000000, 0.0000000000000000, -0.0058684600000000 ] - [ -0.0012271400000000, 0.0007170400000000, -0.0004375200000000 ] - [ 0.0033638500000000, 0.0005993900000000, -0.0002274400000000 ] - [ 0.0000157300000000, 0.0000000000000000, 0.0017843200000000 ] - [ 0.0020101500000000, 0.0024279200000000, -0.0037681300000000 ] - [ -0.0040577900000000, -0.0009189700000000, -0.0030819200000000 ] - [ -0.0076559100000000, 0.0000000000000000, 0.0040680200000000 ] - [ 0.0001727800000000, -0.0004096800000000, 0.0017366300000000 ] - [ -0.0131918300000000, 0.0143593700000000, -0.0266897500000000 ] - [ 0.0001727800000000, 0.0004096800000000, 0.0017366300000000 ] - [ 0.0007763300000000, 0.0000000000000000, 0.0002971000000000 ] - [ 0.0019257600000000, 0.0000000000000000, -0.0025266200000000 ] - [ -0.0008867200000000, 0.0000000000000000, -0.0007934500000000 ]- atom: 47 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0060691400000000, 0.0000090400000000, -0.0001309900000000 ] - [ 0.0043679900000000, 0.0000076800000000, 0.0001306300000000 ] - [ -0.0013407100000000, -0.0000001800000000, -0.0001229500000000 ] - [ -0.0018244200000000, 0.0000000100000000, 0.0001244700000000 ] - [ -0.0011763500000000, -0.0002890600000000, -0.0011427900000000 ] - [ -0.0006963000000000, 0.0002891000000000, 0.0011387500000000 ] - [ -0.0027274600000000, -0.0002624300000000, -0.0029872200000000 ] - [ -0.0022435400000000, 0.0002597200000000, 0.0029773400000000 ] - [ -0.0016224900000000, -0.0005212600000000, -0.0017407100000000 ] - [ -0.0011337600000000, 0.0005180400000000, 0.0017430300000000 ] - [ -0.0007268300000000, 0.0001695000000000, -0.0007172900000000 ] - [ -0.0002400700000000, -0.0001683700000000, 0.0007199100000000 ] - [ -0.0015277400000000, 0.0005610300000000, -0.0003767500000000 ] - [ -0.0015124300000000, -0.0005608200000000, 0.0003723600000000 ] - [ -0.0087433700000000, 0.0091456800000000, 0.0053978700000000 ] - [ -0.0087291300000000, -0.0091064500000000, -0.0053690000000000 ] - [ 0.1997541400000000, 0.0263229700000000, -0.0413262600000000 ] - [ -0.0049810400000000, 0.0006086100000000, 0.0008858900000000 ] - [ 0.1872904600000000, -0.0232414300000000, 0.0381695100000000 ] - [ -0.0057618200000000, -0.0001397900000000, 0.0023180100000000 ] - [ -0.0043427800000000, -0.0006114100000000, -0.0017064200000000 ] - [ 0.0038218600000000, -0.0001144600000000, -0.0006170100000000 ] - [ 0.0045759500000000, -0.0007432500000000, -0.0000812900000000 ] - [ -0.0051287800000000, 0.0001399000000000, -0.0015153200000000 ] - [ 0.0033752300000000, 0.0005325300000000, -0.0000967100000000 ] - [ 0.0041407900000000, 0.0003208900000000, -0.0006294000000000 ] - [ 0.0138632700000000, -0.0150122900000000, 0.0052203800000000 ] - [ 0.0142724500000000, 0.0145823700000000, -0.0044902100000000 ] - [ -0.0030148800000000, 0.0002819600000000, 0.0008019700000000 ] - [ 0.0056199500000000, 0.0010259000000000, 0.0017680000000000 ] - [ -0.0025539100000000, 0.0001408300000000, -0.0000871400000000 ] - [ 0.0089077700000000, -0.0096277900000000, 0.0117611600000000 ] - [ 0.0062368500000000, -0.0010299500000000, -0.0025760300000000 ] - [ -0.0065347500000000, -0.0011051200000000, -0.0000070000000000 ] - [ -0.0049741600000000, -0.0000281900000000, -0.0004225200000000 ] - [ 0.0095443800000000, 0.0096510300000000, -0.0109610200000000 ] - [ -0.0069878200000000, 0.0015205400000000, -0.0007090600000000 ] - [ -0.0054309200000000, -0.0003909300000000, -0.0002965800000000 ] - [ -0.0032131200000000, -0.0004365900000000, 0.0008769200000000 ] - [ -0.0027520200000000, 0.0000131300000000, -0.0001624300000000 ] - [ -0.0007391800000000, 0.0004200200000000, 0.0005989600000000 ] - [ 0.0070184500000000, 0.0107219200000000, -0.0221244500000000 ] - [ -0.0020667300000000, -0.0020403300000000, 0.0000252700000000 ] - [ 0.0034549900000000, -0.0011065000000000, 0.0029422000000000 ] - [ -0.0025613900000000, 0.0027807300000000, -0.0036382900000000 ] - [ -0.0012751400000000, -0.0007636100000000, -0.0004684900000000 ] - [ -0.5133021000000000, -0.0027235800000000, 0.0044715200000000 ] - [ -0.0012140200000000, 0.0004896400000000, -0.0015570100000000 ] - [ 0.0013337600000000, 0.0003239600000000, 0.0002916500000000 ] - [ -0.0027790900000000, -0.0033329400000000, 0.0026411000000000 ] - [ -0.0045773300000000, -0.0000136700000000, -0.0004844500000000 ] - [ 0.0023539700000000, -0.0003229800000000, -0.0003864100000000 ] - [ -0.0006821300000000, -0.0001467600000000, 0.0016856800000000 ] - [ -0.0015991400000000, 0.0004466100000000, 0.0012217000000000 ] - [ -0.0015367600000000, 0.0023913200000000, -0.0001515900000000 ] - [ -0.0015081200000000, 0.0004914800000000, -0.0002869000000000 ] - [ -0.0017280400000000, 0.0001013200000000, 0.0014688900000000 ] - [ 0.0132356000000000, -0.0275178800000000, 0.0022932300000000 ] - [ 0.0375816400000000, -0.0151584700000000, -0.0018050400000000 ] - [ -0.0036780700000000, 0.0000148800000000, -0.0004793500000000 ] - [ -0.0054716700000000, 0.0000025700000000, -0.0000131000000000 ] - [ 0.0364204400000000, 0.0145391400000000, 0.0016713900000000 ] - [ -0.0127937000000000, -0.0000142800000000, 0.0004792100000000 ] - [ -0.0094603100000000, -0.0000006600000000, 0.0000154100000000 ] - [ -0.0015092500000000, -0.0006504400000000, -0.0004915200000000 ] - [ 0.0068160900000000, -0.0101521900000000, 0.0210413900000000 ] - [ -0.0013792300000000, 0.0001034300000000, -0.0002413900000000 ] - [ -0.0010982200000000, -0.0004899900000000, 0.0006515100000000 ] - [ 0.0044640900000000, 0.0011006400000000, -0.0028324200000000 ] - [ 0.0137909500000000, 0.0278047100000000, -0.0026614700000000 ] - [ 0.0045793200000000, -0.0013704000000000, 0.0013290000000000 ] - [ 0.0013914200000000, 0.0004732600000000, -0.0013217900000000 ] - [ 0.0011110400000000, -0.0003522900000000, -0.0002590800000000 ] - [ -0.0000714800000000, -0.0019746400000000, 0.0041206100000000 ] - [ 0.0015339700000000, -0.0002971200000000, -0.0013183600000000 ] - [ 0.0040406000000000, 0.0010287100000000, -0.0012071500000000 ] - [ 0.0028207600000000, 0.0000155600000000, 0.0004752700000000 ] - [ 0.0030242500000000, -0.0021326500000000, -0.0008358600000000 ] - [ -0.0021127500000000, 0.0011412900000000, 0.0032946600000000 ] - [ 0.0013092700000000, -0.0002518600000000, 0.0003392600000000 ] - [ 0.0047954600000000, -0.0000165300000000, -0.0004752000000000 ] - [ -0.0011110400000000, -0.0011414000000000, -0.0034118500000000 ] - [ 0.0035630200000000, 0.0024693000000000, 0.0009574100000000 ] - [ 0.0023015900000000, 0.0010460000000000, 0.0008633500000000 ] - [ 0.0016599100000000, 0.0007001200000000, 0.0001287400000000 ] - [ 0.0018982900000000, 0.0003361100000000, 0.0001361400000000 ] - [ 0.0016226700000000, -0.0003739900000000, 0.0007218500000000 ] - [ 0.0007770500000000, -0.0000781300000000, -0.0002210000000000 ] - [ 0.0015600500000000, -0.0007976000000000, 0.0000357700000000 ] - [ 0.0055317200000000, 0.0000164000000000, -0.0004764500000000 ] - [ 0.0039581500000000, 0.0000000500000000, -0.0000161200000000 ] - [ 0.0010115700000000, 0.0004495300000000, -0.0001637900000000 ] - [ 0.0029611600000000, -0.0000159600000000, 0.0004760800000000 ] - [ 0.0044229000000000, -0.0000000300000000, 0.0000185600000000 ] - [ 0.0018475100000000, -0.0001774100000000, 0.0002625600000000 ] - [ 0.0011661600000000, 0.0000743600000000, 0.0003445500000000 ] - [ 0.0025238900000000, -0.0004925400000000, 0.0001234000000000 ] - [ 0.0023164900000000, -0.0003357500000000, 0.0002286700000000 ] - [ 0.0009414500000000, 0.0019711900000000, -0.0040153200000000 ] - [ 0.0011956200000000, 0.0000776600000000, -0.0001452800000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0025324500000000, -0.0012323600000000 ] - [ 0.0000000000000000, 0.0004613800000000, -0.0017069500000000 ] - [ 0.0000000000000000, 0.0000254900000000, -0.0001313500000000 ] - [ 0.0000000000000000, -0.0000678500000000, 0.0000863900000000 ] - [ -0.0006257700000000, -0.0006205000000000, -0.0003555200000000 ] - [ 0.0006257700000000, -0.0006205000000000, -0.0003555200000000 ] - [ 0.0000770700000000, 0.0007391500000000, 0.0005305900000000 ] - [ -0.0000770700000000, 0.0007391500000000, 0.0005305900000000 ] - [ 0.0000320700000000, 0.0003929500000000, 0.0000171600000000 ] - [ -0.0000320700000000, 0.0003929500000000, 0.0000171600000000 ] - [ -0.0000301500000000, -0.0003320600000000, 0.0001483100000000 ] - [ 0.0000301500000000, -0.0003320600000000, 0.0001483100000000 ] - [ 0.0003313300000000, 0.0002666100000000, 0.0002412400000000 ] - [ -0.0003313300000000, 0.0002666100000000, 0.0002412400000000 ] - [ 0.0019086500000000, -0.0038291500000000, -0.0013476200000000 ] - [ -0.0019086500000000, -0.0038291500000000, -0.0013476200000000 ] - [ 0.0277576600000000, 0.0367645400000000, -0.0090566200000000 ] - [ 0.0000633200000000, 0.0003582500000000, -0.0002436800000000 ] - [ -0.0277576600000000, 0.0367645400000000, -0.0090566200000000 ] - [ -0.0006645700000000, -0.0000920800000000, 0.0008982900000000 ] - [ -0.0000633200000000, 0.0003582500000000, -0.0002436800000000 ] - [ -0.0000823800000000, -0.0010361600000000, -0.0001253600000000 ] - [ -0.0004015700000000, 0.0004537500000000, 0.0004303900000000 ] - [ 0.0006645700000000, -0.0000920800000000, 0.0008982900000000 ] - [ 0.0000823800000000, -0.0010361600000000, -0.0001253600000000 ] - [ 0.0004015700000000, 0.0004537500000000, 0.0004303900000000 ] - [ 0.0002743900000000, -0.0106462800000000, 0.0038037600000000 ] - [ -0.0002743900000000, -0.0106462800000000, 0.0038037600000000 ] - [ -0.0001650700000000, -0.0000059800000000, 0.0004799800000000 ] - [ 0.0004073700000000, -0.0003129000000000, -0.0012832900000000 ] - [ 0.0001650700000000, -0.0000059800000000, 0.0004799800000000 ] - [ -0.0009991300000000, -0.0003883500000000, 0.0031327700000000 ] - [ -0.0004073700000000, -0.0003129000000000, -0.0012832900000000 ] - [ 0.0004416300000000, 0.0010153200000000, -0.0003792100000000 ] - [ -0.0000150800000000, -0.0005239500000000, -0.0001212100000000 ] - [ 0.0009991300000000, -0.0003883500000000, 0.0031327700000000 ] - [ -0.0004416300000000, 0.0010153200000000, -0.0003792100000000 ] - [ 0.0000150800000000, -0.0005239500000000, -0.0001212100000000 ] - [ -0.0001851600000000, -0.0000527300000000, 0.0005323700000000 ] - [ 0.0001851600000000, -0.0000527300000000, 0.0005323700000000 ] - [ 0.0002482600000000, 0.0003765500000000, 0.0003717400000000 ] - [ 0.0037653300000000, -0.0048316400000000, -0.0030082100000000 ] - [ -0.0009659800000000, 0.0044183100000000, -0.0000303500000000 ] - [ -0.0010721600000000, 0.0004901800000000, -0.0003661900000000 ] - [ 0.0003769600000000, 0.0003900800000000, -0.0024181900000000 ] - [ -0.0002482600000000, 0.0003765500000000, 0.0003717400000000 ] - [ 0.0000000000000000, -0.0727327000000000, 0.0227777100000000 ] - [ -0.0001044100000000, -0.0005431600000000, -0.0001144900000000 ] - [ -0.0001900800000000, -0.0001706900000000, 0.0000388000000000 ] - [ -0.0003769600000000, 0.0003900800000000, -0.0024181900000000 ] - [ 0.0000000000000000, -0.0005060100000000, -0.0012290700000000 ] - [ 0.0001900800000000, -0.0001706900000000, 0.0000388000000000 ] - [ 0.0001044100000000, -0.0005431600000000, -0.0001144900000000 ] - [ 0.0000344700000000, 0.0007634000000000, 0.0005889000000000 ] - [ 0.0009659800000000, 0.0044183100000000, -0.0000303500000000 ] - [ 0.0000273800000000, 0.0003204400000000, -0.0004737300000000 ] - [ 0.0000832100000000, -0.0005631700000000, 0.0003724900000000 ] - [ -0.0184412700000000, 0.0113258800000000, -0.0009110800000000 ] - [ -0.0159158000000000, -0.0016350200000000, -0.0001056800000000 ] - [ 0.0000000000000000, 0.0007571900000000, -0.0007253400000000 ] - [ 0.0000000000000000, 0.0004683600000000, 0.0010870800000000 ] - [ 0.0159158000000000, -0.0016350200000000, -0.0001056800000000 ] - [ 0.0000000000000000, 0.0037593000000000, 0.0005951500000000 ] - [ 0.0000000000000000, -0.0001305600000000, -0.0006407300000000 ] - [ -0.0000832100000000, -0.0005631700000000, 0.0003724900000000 ] - [ -0.0037653300000000, -0.0048316400000000, -0.0030082100000000 ] - [ -0.0000344700000000, 0.0007634000000000, 0.0005889000000000 ] - [ -0.0000273800000000, 0.0003204400000000, -0.0004737300000000 ] - [ 0.0010721600000000, 0.0004901800000000, -0.0003661900000000 ] - [ 0.0184412700000000, 0.0113258800000000, -0.0009110800000000 ] - [ 0.0008044800000000, -0.0004336500000000, 0.0004816800000000 ] - [ 0.0001196700000000, 0.0004589700000000, -0.0007080300000000 ] - [ -0.0001537400000000, -0.0000129900000000, -0.0000988600000000 ] - [ -0.0010638400000000, 0.0000538300000000, -0.0008491400000000 ] - [ 0.0001733300000000, -0.0003715900000000, -0.0007140300000000 ] - [ -0.0008044800000000, -0.0004336500000000, 0.0004816800000000 ] - [ 0.0000000000000000, 0.0000888600000000, 0.0004273300000000 ] - [ -0.0004494500000000, 0.0008308700000000, 0.0001864400000000 ] - [ -0.0003214900000000, 0.0003029400000000, 0.0005353500000000 ] - [ -0.0001733300000000, -0.0003715900000000, -0.0007140300000000 ] - [ 0.0000000000000000, 0.0000770000000000, -0.0005431900000000 ] - [ 0.0003214900000000, 0.0003029400000000, 0.0005353500000000 ] - [ 0.0004494500000000, 0.0008308700000000, 0.0001864400000000 ] - [ -0.0002133600000000, -0.0001074800000000, 0.0003449700000000 ] - [ 0.0001537400000000, -0.0000129900000000, -0.0000988600000000 ] - [ 0.0000258700000000, -0.0001877400000000, 0.0001796200000000 ] - [ 0.0000950500000000, -0.0002362400000000, 0.0004268000000000 ] - [ -0.0002179800000000, 0.0000369200000000, -0.0002030900000000 ] - [ 0.0001405100000000, -0.0000285500000000, -0.0001011900000000 ] - [ 0.0000000000000000, -0.0001812800000000, -0.0004788400000000 ] - [ 0.0000000000000000, -0.0000833700000000, -0.0000664100000000 ] - [ -0.0001405100000000, -0.0000285500000000, -0.0001011900000000 ] - [ 0.0000000000000000, -0.0000772100000000, 0.0004207000000000 ] - [ 0.0000000000000000, 0.0000152100000000, -0.0000938800000000 ] - [ -0.0000950500000000, -0.0002362400000000, 0.0004268000000000 ] - [ -0.0001196700000000, 0.0004589700000000, -0.0007080300000000 ] - [ 0.0002133600000000, -0.0001074800000000, 0.0003449700000000 ] - [ -0.0000258700000000, -0.0001877400000000, 0.0001796200000000 ] - [ 0.0010638400000000, 0.0000538300000000, -0.0008491400000000 ] - [ 0.0002179800000000, 0.0000369200000000, -0.0002030900000000 ]- atom: 47 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0028598800000000, 0.0011507300000000 ] - [ 0.0000000000000000, -0.0004468200000000, 0.0019684100000000 ] - [ 0.0000000000000000, -0.0000253400000000, -0.0001204000000000 ] - [ 0.0000000000000000, 0.0000670700000000, 0.0001648300000000 ] - [ 0.0001363400000000, 0.0006192900000000, 0.0003544100000000 ] - [ -0.0001363400000000, 0.0006192900000000, 0.0003544100000000 ] - [ -0.0005617300000000, -0.0007369200000000, -0.0005256000000000 ] - [ 0.0005617300000000, -0.0007369200000000, -0.0005256000000000 ] - [ -0.0005220500000000, -0.0003964700000000, -0.0000210000000000 ] - [ 0.0005220500000000, -0.0003964700000000, -0.0000210000000000 ] - [ -0.0004556700000000, 0.0003332200000000, -0.0001480100000000 ] - [ 0.0004556700000000, 0.0003332200000000, -0.0001480100000000 ] - [ -0.0003300000000000, -0.0002651500000000, -0.0002489100000000 ] - [ 0.0003300000000000, -0.0002651500000000, -0.0002489100000000 ] - [ -0.0019076900000000, 0.0038053900000000, 0.0013411900000000 ] - [ 0.0019076900000000, 0.0038053900000000, 0.0013411900000000 ] - [ -0.0286737900000000, -0.0368673500000000, 0.0099446700000000 ] - [ -0.0006908600000000, -0.0003564300000000, -0.0005727500000000 ] - [ 0.0286737900000000, -0.0368673500000000, 0.0099446700000000 ] - [ 0.0000347300000000, 0.0000912400000000, -0.0000789800000000 ] - [ 0.0006908600000000, -0.0003564300000000, -0.0005727500000000 ] - [ 0.0005495700000000, 0.0014556600000000, -0.0006131800000000 ] - [ 0.0008643200000000, -0.0008778600000000, -0.0011668800000000 ] - [ -0.0000347300000000, 0.0000912400000000, -0.0000789800000000 ] - [ -0.0005495700000000, 0.0014556600000000, -0.0006131800000000 ] - [ -0.0008643200000000, -0.0008778600000000, -0.0011668800000000 ] - [ -0.0007634000000000, 0.0102310900000000, -0.0030586300000000 ] - [ 0.0007634000000000, 0.0102310900000000, -0.0030586300000000 ] - [ -0.0002928500000000, 0.0004222000000000, 0.0002494700000000 ] - [ -0.0010459300000000, 0.0003086600000000, 0.0004677700000000 ] - [ 0.0002928500000000, 0.0004222000000000, 0.0002494700000000 ] - [ 0.0003561100000000, 0.0004367600000000, -0.0023300800000000 ] - [ 0.0010459300000000, 0.0003086600000000, 0.0004677700000000 ] - [ 0.0000194700000000, -0.0005957000000000, -0.0003489700000000 ] - [ 0.0004726000000000, 0.0001079200000000, -0.0006062200000000 ] - [ -0.0003561100000000, 0.0004367600000000, -0.0023300800000000 ] - [ -0.0000194700000000, -0.0005957000000000, -0.0003489700000000 ] - [ -0.0004726000000000, 0.0001079200000000, -0.0006062200000000 ] - [ -0.0002729500000000, -0.0003643600000000, 0.0001975400000000 ] - [ 0.0002729500000000, -0.0003643600000000, 0.0001975400000000 ] - [ 0.0002982100000000, -0.0007232900000000, -0.0002365100000000 ] - [ -0.0035688300000000, 0.0053216700000000, 0.0020505000000000 ] - [ 0.0004116100000000, -0.0040719400000000, -0.0001057800000000 ] - [ 0.0000469300000000, -0.0004879100000000, 0.0004580000000000 ] - [ -0.0001463700000000, -0.0009513400000000, 0.0014193900000000 ] - [ -0.0002982100000000, -0.0007232900000000, -0.0002365100000000 ] - [ 0.0000000000000000, 0.0740282200000000, -0.0225072900000000 ] - [ -0.0004400200000000, 0.0008879500000000, 0.0002447200000000 ] - [ -0.0008328200000000, 0.0001696900000000, -0.0001317300000000 ] - [ 0.0001463700000000, -0.0009513400000000, 0.0014193900000000 ] - [ 0.0000000000000000, 0.0004633900000000, 0.0003026300000000 ] - [ 0.0008328200000000, 0.0001696900000000, -0.0001317300000000 ] - [ 0.0004400200000000, 0.0008879500000000, 0.0002447200000000 ] - [ -0.0002637600000000, -0.0002167900000000, 0.0004006200000000 ] - [ -0.0004116100000000, -0.0040719400000000, -0.0001057800000000 ] - [ -0.0004419100000000, -0.0003176000000000, 0.0008519000000000 ] - [ -0.0003118200000000, 0.0000191000000000, 0.0006151800000000 ] - [ 0.0177760500000000, -0.0112353800000000, 0.0005787700000000 ] - [ 0.0165068800000000, 0.0013050000000000, -0.0000001500000000 ] - [ 0.0000000000000000, -0.0007136900000000, -0.0001979600000000 ] - [ 0.0000000000000000, -0.0004681300000000, -0.0011115400000000 ] - [ -0.0165068800000000, 0.0013050000000000, -0.0000001500000000 ] - [ 0.0000000000000000, -0.0038017700000000, 0.0003295500000000 ] - [ 0.0000000000000000, 0.0001216100000000, 0.0006612000000000 ] - [ 0.0003118200000000, 0.0000191000000000, 0.0006151800000000 ] - [ 0.0035688300000000, 0.0053216700000000, 0.0020505000000000 ] - [ 0.0002637600000000, -0.0002167900000000, 0.0004006200000000 ] - [ 0.0004419100000000, -0.0003176000000000, 0.0008519000000000 ] - [ -0.0000469300000000, -0.0004879100000000, 0.0004580000000000 ] - [ -0.0177760500000000, -0.0112353800000000, 0.0005787700000000 ] - [ -0.0002594900000000, 0.0000910700000000, -0.0003491000000000 ] - [ 0.0001066700000000, 0.0000886900000000, -0.0002768300000000 ] - [ -0.0003879800000000, 0.0003557400000000, -0.0000324500000000 ] - [ 0.0000444700000000, -0.0000635200000000, 0.0009565300000000 ] - [ 0.0000534000000000, -0.0001750800000000, -0.0002732400000000 ] - [ 0.0002594900000000, 0.0000910700000000, -0.0003491000000000 ] - [ 0.0000000000000000, -0.0000431800000000, 0.0005024700000000 ] - [ -0.0000924600000000, -0.0004855300000000, -0.0000563900000000 ] - [ -0.0007077800000000, -0.0002995800000000, -0.0006271800000000 ] - [ -0.0000534000000000, -0.0001750800000000, -0.0002732400000000 ] - [ 0.0000000000000000, -0.0001229900000000, -0.0003872700000000 ] - [ 0.0007077800000000, -0.0002995800000000, -0.0006271800000000 ] - [ 0.0000924600000000, -0.0004855300000000, -0.0000563900000000 ] - [ -0.0000135300000000, 0.0006527500000000, 0.0006395800000000 ] - [ 0.0003879800000000, 0.0003557400000000, -0.0000324500000000 ] - [ -0.0004367400000000, 0.0001861200000000, 0.0001915300000000 ] - [ -0.0003206800000000, -0.0003113400000000, 0.0005565700000000 ] - [ -0.0001924800000000, -0.0000368300000000, -0.0001690300000000 ] - [ 0.0004009400000000, -0.0003151200000000, -0.0000278700000000 ] - [ 0.0000000000000000, 0.0002268600000000, -0.0004523700000000 ] - [ 0.0000000000000000, 0.0000825400000000, 0.0000503500000000 ] - [ -0.0004009400000000, -0.0003151200000000, -0.0000278700000000 ] - [ 0.0000000000000000, 0.0000317500000000, 0.0005117000000000 ] - [ 0.0000000000000000, -0.0000151100000000, 0.0001092000000000 ] - [ 0.0003206800000000, -0.0003113400000000, 0.0005565700000000 ] - [ -0.0001066700000000, 0.0000886900000000, -0.0002768300000000 ] - [ 0.0000135300000000, 0.0006527500000000, 0.0006395800000000 ] - [ 0.0004367400000000, 0.0001861200000000, 0.0001915300000000 ] - [ -0.0000444700000000, -0.0000635200000000, 0.0009565300000000 ] - [ 0.0001924800000000, -0.0000368300000000, -0.0001690300000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0006768700000000, 0.0019054100000000 ] - [ 0.0000000000000000, -0.0024261300000000, -0.0023116100000000 ] - [ 0.0000000000000000, 0.0000109000000000, -0.0001478100000000 ] - [ 0.0000000000000000, -0.0000243500000000, 0.0001413600000000 ] - [ -0.0004953200000000, 0.0000016800000000, -0.0000529100000000 ] - [ 0.0004953200000000, 0.0000016800000000, -0.0000529100000000 ] - [ -0.0009151700000000, 0.0000233800000000, -0.0000869500000000 ] - [ 0.0009151700000000, 0.0000233800000000, -0.0000869500000000 ] - [ -0.0013403000000000, -0.0007091300000000, -0.0006486100000000 ] - [ 0.0013403000000000, -0.0007091300000000, -0.0006486100000000 ] - [ -0.0005217400000000, 0.0002871100000000, -0.0000200300000000 ] - [ 0.0005217400000000, 0.0002871100000000, -0.0000200300000000 ] - [ -0.0000048300000000, -0.0002977400000000, -0.0023267400000000 ] - [ 0.0000048300000000, -0.0002977400000000, -0.0023267400000000 ] - [ -0.0004669000000000, 0.0002334700000000, 0.0016539700000000 ] - [ 0.0004669000000000, 0.0002334700000000, 0.0016539700000000 ] - [ -0.0423446200000000, -0.0085239100000000, 0.0444570600000000 ] - [ -0.0001812100000000, 0.0000075600000000, -0.0003068500000000 ] - [ 0.0423446200000000, -0.0085239100000000, 0.0444570600000000 ] - [ -0.0001230200000000, 0.0000199500000000, 0.0002203800000000 ] - [ 0.0001812100000000, 0.0000075600000000, -0.0003068500000000 ] - [ 0.0008523900000000, 0.0006001400000000, -0.0021401300000000 ] - [ 0.0020663100000000, 0.0004643100000000, -0.0035428000000000 ] - [ 0.0001230200000000, 0.0000199500000000, 0.0002203800000000 ] - [ -0.0008523900000000, 0.0006001400000000, -0.0021401300000000 ] - [ -0.0020663100000000, 0.0004643100000000, -0.0035428000000000 ] - [ 0.0003621400000000, -0.0009926200000000, 0.0046412800000000 ] - [ -0.0003621400000000, -0.0009926200000000, 0.0046412800000000 ] - [ -0.0002611800000000, 0.0003123900000000, 0.0001025800000000 ] - [ 0.0007170900000000, -0.0008259500000000, -0.0020786400000000 ] - [ 0.0002611800000000, 0.0003123900000000, 0.0001025800000000 ] - [ -0.0008751000000000, 0.0093692800000000, -0.0050256700000000 ] - [ -0.0007170900000000, -0.0008259500000000, -0.0020786400000000 ] - [ 0.0003455300000000, 0.0001342000000000, 0.0000340100000000 ] - [ 0.0002098400000000, 0.0000368000000000, -0.0000998000000000 ] - [ 0.0008751000000000, 0.0093692800000000, -0.0050256700000000 ] - [ -0.0003455300000000, 0.0001342000000000, 0.0000340100000000 ] - [ -0.0002098400000000, 0.0000368000000000, -0.0000998000000000 ] - [ -0.0002561900000000, -0.0003374700000000, 0.0000489100000000 ] - [ 0.0002561900000000, -0.0003374700000000, 0.0000489100000000 ] - [ 0.0007926200000000, -0.0002716300000000, 0.0007819400000000 ] - [ -0.0163729300000000, -0.0078558400000000, 0.0125628500000000 ] - [ -0.0005616700000000, 0.0004172200000000, -0.0008638300000000 ] - [ -0.0002932700000000, -0.0000209200000000, 0.0000639500000000 ] - [ -0.0002419000000000, -0.0026762900000000, -0.0029728500000000 ] - [ -0.0007926200000000, -0.0002716300000000, 0.0007819400000000 ] - [ 0.0000000000000000, 0.0226993200000000, -0.0832552400000000 ] - [ -0.0013584300000000, 0.0003887900000000, 0.0014294100000000 ] - [ -0.0003992000000000, 0.0000325200000000, 0.0001985000000000 ] - [ 0.0002419000000000, -0.0026762900000000, -0.0029728500000000 ] - [ 0.0000000000000000, -0.0007948700000000, 0.0021950300000000 ] - [ 0.0003992000000000, 0.0000325200000000, 0.0001985000000000 ] - [ 0.0013584300000000, 0.0003887900000000, 0.0014294100000000 ] - [ -0.0000445500000000, 0.0003778000000000, 0.0016735200000000 ] - [ 0.0005616700000000, 0.0004172200000000, -0.0008638300000000 ] - [ -0.0006245900000000, -0.0004239200000000, 0.0010951400000000 ] - [ -0.0002386700000000, -0.0003261500000000, 0.0024512600000000 ] - [ -0.0046793200000000, 0.0055628400000000, -0.0071811700000000 ] - [ 0.0060339000000000, -0.0026171400000000, -0.0074171900000000 ] - [ 0.0000000000000000, 0.0002902600000000, 0.0005195200000000 ] - [ 0.0000000000000000, 0.0006868200000000, 0.0009994000000000 ] - [ -0.0060339000000000, -0.0026171400000000, -0.0074171900000000 ] - [ 0.0000000000000000, -0.0001617800000000, -0.0012383700000000 ] - [ 0.0000000000000000, -0.0016873900000000, 0.0016411400000000 ] - [ 0.0002386700000000, -0.0003261500000000, 0.0024512600000000 ] - [ 0.0163729300000000, -0.0078558400000000, 0.0125628500000000 ] - [ 0.0000445500000000, 0.0003778000000000, 0.0016735200000000 ] - [ 0.0006245900000000, -0.0004239200000000, 0.0010951400000000 ] - [ 0.0002932700000000, -0.0000209200000000, 0.0000639500000000 ] - [ 0.0046793200000000, 0.0055628400000000, -0.0071811700000000 ] - [ 0.0003038400000000, 0.0001043200000000, -0.0004109000000000 ] - [ 0.0000644700000000, 0.0002100900000000, -0.0002928500000000 ] - [ -0.0003782400000000, 0.0002839600000000, 0.0002763900000000 ] - [ 0.0011018000000000, -0.0017286100000000, 0.0035993400000000 ] - [ 0.0000426400000000, -0.0002185800000000, -0.0002812800000000 ] - [ -0.0003038400000000, 0.0001043200000000, -0.0004109000000000 ] - [ 0.0000000000000000, -0.0000128500000000, 0.0005292100000000 ] - [ -0.0001192600000000, -0.0001165100000000, -0.0002478100000000 ] - [ 0.0000984300000000, 0.0005381300000000, -0.0002783600000000 ] - [ -0.0000426400000000, -0.0002185800000000, -0.0002812800000000 ] - [ 0.0000000000000000, -0.0001022600000000, -0.0005158800000000 ] - [ -0.0000984300000000, 0.0005381300000000, -0.0002783600000000 ] - [ 0.0001192600000000, -0.0001165100000000, -0.0002478100000000 ] - [ -0.0000377600000000, 0.0002660500000000, 0.0003001400000000 ] - [ 0.0003782400000000, 0.0002839600000000, 0.0002763900000000 ] - [ -0.0003845300000000, -0.0001049700000000, -0.0000242800000000 ] - [ -0.0000487400000000, -0.0002941900000000, 0.0003479200000000 ] - [ -0.0002319700000000, 0.0000131500000000, -0.0000732400000000 ] - [ 0.0003812900000000, -0.0002694300000000, 0.0001862600000000 ] - [ 0.0000000000000000, 0.0000377700000000, -0.0005321700000000 ] - [ 0.0000000000000000, -0.0000056300000000, -0.0000141200000000 ] - [ -0.0003812900000000, -0.0002694300000000, 0.0001862600000000 ] - [ 0.0000000000000000, 0.0000207100000000, 0.0005416400000000 ] - [ 0.0000000000000000, -0.0000019600000000, 0.0000386300000000 ] - [ 0.0000487400000000, -0.0002941900000000, 0.0003479200000000 ] - [ -0.0000644700000000, 0.0002100900000000, -0.0002928500000000 ] - [ 0.0000377600000000, 0.0002660500000000, 0.0003001400000000 ] - [ 0.0003845300000000, -0.0001049700000000, -0.0000242800000000 ] - [ -0.0011018000000000, -0.0017286100000000, 0.0035993400000000 ] - [ 0.0002319700000000, 0.0000131500000000, -0.0000732400000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0006096400000000, -0.0021290100000000 ] - [ 0.0000000000000000, 0.0024283100000000, 0.0025898000000000 ] - [ 0.0000000000000000, -0.0000110400000000, -0.0001033000000000 ] - [ 0.0000000000000000, 0.0000241800000000, 0.0001083500000000 ] - [ 0.0000109500000000, -0.0000006700000000, 0.0000584400000000 ] - [ -0.0000109500000000, -0.0000006700000000, 0.0000584400000000 ] - [ 0.0004298100000000, -0.0000220800000000, 0.0000977700000000 ] - [ -0.0004298100000000, -0.0000220800000000, 0.0000977700000000 ] - [ 0.0008606100000000, 0.0007116500000000, 0.0006473100000000 ] - [ -0.0008606100000000, 0.0007116500000000, 0.0006473100000000 ] - [ 0.0000392200000000, -0.0002881200000000, 0.0000181000000000 ] - [ -0.0000392200000000, -0.0002881200000000, 0.0000181000000000 ] - [ 0.0000183900000000, 0.0002938400000000, 0.0023307800000000 ] - [ -0.0000183900000000, 0.0002938400000000, 0.0023307800000000 ] - [ 0.0004808600000000, -0.0002534900000000, -0.0016730100000000 ] - [ -0.0004808600000000, -0.0002534900000000, -0.0016730100000000 ] - [ 0.0418798400000000, 0.0089126700000000, -0.0430790900000000 ] - [ -0.0004530300000000, -0.0000064300000000, -0.0005089100000000 ] - [ -0.0418798400000000, 0.0089126700000000, -0.0430790900000000 ] - [ -0.0005137700000000, -0.0000199200000000, 0.0006101200000000 ] - [ 0.0004530300000000, -0.0000064300000000, -0.0005089100000000 ] - [ -0.0003837800000000, -0.0001768100000000, 0.0014106700000000 ] - [ -0.0015834500000000, -0.0008779000000000, 0.0028049800000000 ] - [ 0.0005137700000000, -0.0000199200000000, 0.0006101200000000 ] - [ 0.0003837800000000, -0.0001768100000000, 0.0014106700000000 ] - [ 0.0015834500000000, -0.0008779000000000, 0.0028049800000000 ] - [ -0.0008483500000000, 0.0006139300000000, -0.0039482100000000 ] - [ 0.0008483500000000, 0.0006139300000000, -0.0039482100000000 ] - [ -0.0001978100000000, 0.0001075800000000, 0.0006266300000000 ] - [ -0.0013590000000000, 0.0008323900000000, 0.0012477100000000 ] - [ 0.0001978100000000, 0.0001075800000000, 0.0006266300000000 ] - [ 0.0002469400000000, -0.0093995200000000, 0.0058538000000000 ] - [ 0.0013590000000000, 0.0008323900000000, 0.0012477100000000 ] - [ 0.0001190200000000, 0.0002895600000000, -0.0007615600000000 ] - [ 0.0002533500000000, -0.0004591800000000, -0.0006262700000000 ] - [ -0.0002469400000000, -0.0093995200000000, 0.0058538000000000 ] - [ -0.0001190200000000, 0.0002895600000000, -0.0007615600000000 ] - [ -0.0002533500000000, -0.0004591800000000, -0.0006262700000000 ] - [ -0.0002020500000000, -0.0000817500000000, 0.0006808500000000 ] - [ 0.0002020500000000, -0.0000817500000000, 0.0006808500000000 ] - [ -0.0002415200000000, -0.0000720800000000, -0.0006494700000000 ] - [ 0.0168767200000000, 0.0084794500000000, -0.0137525400000000 ] - [ 0.0000146100000000, -0.0000832300000000, 0.0007328900000000 ] - [ -0.0007410500000000, 0.0000233400000000, 0.0000197700000000 ] - [ 0.0004698300000000, 0.0021398600000000, 0.0020056700000000 ] - [ 0.0002415200000000, -0.0000720800000000, -0.0006494700000000 ] - [ 0.0000000000000000, -0.0225794300000000, 0.0832489600000000 ] - [ 0.0008010600000000, -0.0000438100000000, -0.0012947400000000 ] - [ -0.0006284000000000, -0.0000325600000000, -0.0002933100000000 ] - [ -0.0004698300000000, 0.0021398600000000, 0.0020056700000000 ] - [ 0.0000000000000000, 0.0007365900000000, -0.0031006300000000 ] - [ 0.0006284000000000, -0.0000325600000000, -0.0002933100000000 ] - [ -0.0008010600000000, -0.0000438100000000, -0.0012947400000000 ] - [ -0.0001846900000000, 0.0001666300000000, -0.0006829800000000 ] - [ -0.0000146100000000, -0.0000832300000000, 0.0007328900000000 ] - [ 0.0002109200000000, 0.0004190200000000, -0.0007212600000000 ] - [ 0.0000076600000000, -0.0002229500000000, -0.0014604800000000 ] - [ 0.0043262100000000, -0.0056077400000000, 0.0067993100000000 ] - [ -0.0055387800000000, 0.0022667600000000, 0.0072752900000000 ] - [ 0.0000000000000000, -0.0002367700000000, -0.0014442300000000 ] - [ 0.0000000000000000, -0.0006906400000000, -0.0010099900000000 ] - [ 0.0055387800000000, 0.0022667600000000, 0.0072752900000000 ] - [ 0.0000000000000000, 0.0001030200000000, 0.0021663100000000 ] - [ 0.0000000000000000, 0.0016919800000000, -0.0016260300000000 ] - [ -0.0000076600000000, -0.0002229500000000, -0.0014604800000000 ] - [ -0.0168767200000000, 0.0084794500000000, -0.0137525400000000 ] - [ 0.0001846900000000, 0.0001666300000000, -0.0006829800000000 ] - [ -0.0002109200000000, 0.0004190200000000, -0.0007212600000000 ] - [ 0.0007410500000000, 0.0000233400000000, 0.0000197700000000 ] - [ -0.0043262100000000, -0.0056077400000000, 0.0067993100000000 ] - [ 0.0002437800000000, -0.0004499900000000, 0.0005496300000000 ] - [ 0.0001620800000000, 0.0003360100000000, -0.0006937700000000 ] - [ -0.0001619400000000, 0.0000570900000000, -0.0004091900000000 ] - [ -0.0021373500000000, 0.0017363900000000, -0.0035204800000000 ] - [ 0.0001839700000000, -0.0003270700000000, -0.0007080700000000 ] - [ -0.0002437800000000, -0.0004499900000000, 0.0005496300000000 ] - [ 0.0000000000000000, 0.0000625800000000, 0.0003978800000000 ] - [ -0.0004273200000000, 0.0004628900000000, 0.0003823200000000 ] - [ -0.0011349700000000, -0.0005399700000000, 0.0002017500000000 ] - [ -0.0001839700000000, -0.0003270700000000, -0.0007080700000000 ] - [ 0.0000000000000000, 0.0000530100000000, -0.0004100300000000 ] - [ 0.0011349700000000, -0.0005399700000000, 0.0002017500000000 ] - [ 0.0004273200000000, 0.0004628900000000, 0.0003823200000000 ] - [ -0.0001909600000000, 0.0002769400000000, 0.0006842000000000 ] - [ 0.0001619400000000, 0.0000570900000000, -0.0004091900000000 ] - [ -0.0000238700000000, 0.0001047500000000, 0.0003990800000000 ] - [ -0.0001789500000000, -0.0002502000000000, 0.0006346400000000 ] - [ -0.0001756900000000, -0.0000136200000000, -0.0002994600000000 ] - [ 0.0001596200000000, -0.0000716500000000, -0.0003161400000000 ] - [ 0.0000000000000000, 0.0000120200000000, -0.0003945900000000 ] - [ 0.0000000000000000, 0.0000050500000000, 0.0000008200000000 ] - [ -0.0001596200000000, -0.0000716500000000, -0.0003161400000000 ] - [ 0.0000000000000000, -0.0000704000000000, 0.0003880900000000 ] - [ 0.0000000000000000, 0.0000019300000000, -0.0000278700000000 ] - [ 0.0001789500000000, -0.0002502000000000, 0.0006346400000000 ] - [ -0.0001620800000000, 0.0003360100000000, -0.0006937700000000 ] - [ 0.0001909600000000, 0.0002769400000000, 0.0006842000000000 ] - [ 0.0000238700000000, 0.0001047500000000, 0.0003990800000000 ] - [ 0.0021373500000000, 0.0017363900000000, -0.0035204800000000 ] - [ 0.0001756900000000, -0.0000136200000000, -0.0002994600000000 ]- atom: 56 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011385900000000, 0.0000000000000000, 0.0015781000000000 ] - [ 0.0016428300000000, 0.0000000000000000, 0.0008495900000000 ] - [ -0.0006238000000000, 0.0000000000000000, -0.0000080600000000 ] - [ -0.0005078700000000, 0.0000000000000000, 0.0002694000000000 ] - [ -0.0009670600000000, 0.0000053700000000, 0.0003933600000000 ] - [ -0.0004510700000000, -0.0017722300000000, -0.0017212500000000 ] - [ -0.0009670600000000, -0.0000053700000000, 0.0003933600000000 ] - [ -0.0004510700000000, 0.0017722300000000, -0.0017212500000000 ] - [ 0.0002730900000000, 0.0000793900000000, 0.0004466400000000 ] - [ -0.0002620500000000, -0.0000760900000000, -0.0002593500000000 ] - [ 0.0002730900000000, -0.0000793900000000, 0.0004466400000000 ] - [ -0.0002620500000000, 0.0000760900000000, -0.0002593500000000 ] - [ -0.0014055200000000, 0.0000000000000000, 0.0022916700000000 ] - [ -0.0030823800000000, 0.0000000000000000, -0.0010458100000000 ] - [ -0.0014426900000000, 0.0000000000000000, -0.0001287700000000 ] - [ 0.0012956000000000, 0.0000000000000000, -0.0020495200000000 ] - [ 0.0002470500000000, 0.0001401500000000, 0.0005710100000000 ] - [ -0.0019171800000000, 0.0000000000000000, -0.0010988600000000 ] - [ 0.0024252400000000, 0.0004808800000000, 0.0002149000000000 ] - [ -0.0039277600000000, 0.0000000000000000, -0.0008700400000000 ] - [ -0.0016411700000000, 0.0000000000000000, -0.0000835700000000 ] - [ 0.0442345000000000, -0.0335074300000000, 0.0166290900000000 ] - [ 0.0442345000000000, 0.0335074300000000, 0.0166290900000000 ] - [ -0.0019866500000000, 0.0000000000000000, 0.0006065000000000 ] - [ -0.0092363500000000, -0.0012720000000000, -0.0035945300000000 ] - [ -0.0092363500000000, 0.0012720000000000, -0.0035945300000000 ] - [ 0.0002470500000000, -0.0001401500000000, 0.0005710100000000 ] - [ 0.0024252400000000, -0.0004808800000000, 0.0002149000000000 ] - [ -0.0031688500000000, -0.0011554300000000, 0.0015611600000000 ] - [ 0.0006699900000000, 0.0000000000000000, -0.0034936100000000 ] - [ -0.0021442600000000, -0.0000478000000000, 0.0003826900000000 ] - [ 0.0004479000000000, 0.0000000000000000, -0.0001943400000000 ] - [ 0.0028457400000000, 0.0000000000000000, -0.0005665000000000 ] - [ -0.0009995500000000, 0.0001120300000000, -0.0003493300000000 ] - [ -0.0009995500000000, -0.0001120300000000, -0.0003493300000000 ] - [ 0.0026291500000000, 0.0000000000000000, 0.0007105900000000 ] - [ -0.0009735100000000, 0.0002664600000000, -0.0008694700000000 ] - [ -0.0009735100000000, -0.0002664600000000, -0.0008694700000000 ] - [ -0.0031688500000000, 0.0011554300000000, 0.0015611600000000 ] - [ -0.0021442600000000, 0.0000478000000000, 0.0003826900000000 ] - [ 0.0037230100000000, -0.0015060600000000, 0.0000173300000000 ] - [ -0.0000747000000000, 0.0002908300000000, -0.0003545700000000 ] - [ -0.0015246700000000, 0.0007294100000000, 0.0006320200000000 ] - [ 0.0005363100000000, 0.0000000000000000, 0.0003406800000000 ] - [ -0.0000747000000000, -0.0002908300000000, -0.0003545700000000 ] - [ -0.0053957900000000, 0.0095608700000000, -0.0011068800000000 ] - [ -0.0013052400000000, 0.0002520100000000, 0.0000549000000000 ] - [ -0.0053957900000000, -0.0095608700000000, -0.0011068800000000 ] - [ 0.0007858000000000, 0.0000000000000000, -0.0008329000000000 ] - [ -0.0007968200000000, -0.0002257200000000, -0.0004474200000000 ] - [ 0.0136076600000000, 0.0182489300000000, 0.0040445500000000 ] - [ 0.0013439400000000, 0.0000000000000000, 0.0006439300000000 ] - [ 0.0037230100000000, 0.0015060600000000, 0.0000173300000000 ] - [ -0.0075850700000000, -0.0004816100000000, 0.0003136500000000 ] - [ 0.0005570400000000, 0.0001148000000000, -0.0004558900000000 ] - [ -0.0822974800000000, 0.0000000000000000, -0.0381940900000000 ] - [ -0.0075850700000000, 0.0004816100000000, 0.0003136500000000 ] - [ -0.0010022500000000, 0.0000000000000000, 0.0000349000000000 ] - [ 0.0005570400000000, -0.0001148000000000, -0.0004558900000000 ] - [ 0.0136076600000000, -0.0182489300000000, 0.0040445500000000 ] - [ -0.0019020400000000, 0.0000000000000000, 0.0003066600000000 ] - [ -0.0015246700000000, -0.0007294100000000, 0.0006320200000000 ] - [ -0.0013052400000000, -0.0002520100000000, 0.0000549000000000 ] - [ -0.0013978400000000, 0.0000000000000000, 0.0004095100000000 ] - [ 0.0008782000000000, -0.0008444900000000, 0.0029286000000000 ] - [ -0.0007968200000000, 0.0002257200000000, -0.0004474200000000 ] - [ 0.0008782000000000, 0.0008444900000000, 0.0029286000000000 ] - [ 0.0022083500000000, 0.0000000000000000, 0.0004072000000000 ] - [ 0.0019110200000000, 0.0000000000000000, 0.0021849300000000 ] - [ 0.0001070900000000, 0.0000000000000000, -0.0003704800000000 ] - [ 0.0003332600000000, -0.0003212300000000, 0.0001787600000000 ] - [ 0.0016162300000000, 0.0005751600000000, -0.0005749500000000 ] - [ 0.0011017300000000, -0.0004355000000000, 0.0001277400000000 ] - [ -0.0017425100000000, 0.0000000000000000, -0.0013498300000000 ] - [ 0.0016162300000000, -0.0005751600000000, -0.0005749500000000 ] - [ 0.0004419900000000, 0.0001165300000000, 0.0000794000000000 ] - [ 0.0021069400000000, 0.0002464400000000, 0.0002949700000000 ] - [ 0.0004419900000000, -0.0001165300000000, 0.0000794000000000 ] - [ -0.0016239400000000, 0.0000000000000000, 0.0006180800000000 ] - [ 0.0007495300000000, -0.0004299200000000, -0.0005545800000000 ] - [ 0.0009875200000000, -0.0000038100000000, -0.0004464400000000 ] - [ 0.0010296900000000, 0.0000000000000000, 0.0010471200000000 ] - [ 0.0003332600000000, 0.0003212300000000, 0.0001787600000000 ] - [ 0.0004336100000000, 0.0002808000000000, 0.0003901300000000 ] - [ 0.0009681100000000, -0.0000690700000000, -0.0006853300000000 ] - [ 0.0002331800000000, 0.0000000000000000, 0.0002285200000000 ] - [ 0.0004336100000000, -0.0002808000000000, 0.0003901300000000 ] - [ 0.0006216900000000, 0.0000000000000000, -0.0002478800000000 ] - [ 0.0009681100000000, 0.0000690700000000, -0.0006853300000000 ] - [ 0.0009875200000000, 0.0000038100000000, -0.0004464400000000 ] - [ 0.0014897100000000, 0.0000000000000000, 0.0000893300000000 ] - [ 0.0011017300000000, 0.0004355000000000, 0.0001277400000000 ] - [ 0.0021069400000000, -0.0002464400000000, 0.0002949700000000 ] - [ 0.0021241400000000, 0.0000000000000000, 0.0001784100000000 ] - [ 0.0005170700000000, -0.0002205700000000, 0.0009893500000000 ] - [ 0.0007495300000000, 0.0004299200000000, -0.0005545800000000 ] - [ 0.0005170700000000, 0.0002205700000000, 0.0009893500000000 ] - [ 0.0003916600000000, 0.0000000000000000, 0.0002840900000000 ] - [ 0.0006420400000000, 0.0000000000000000, 0.0006181500000000 ] - [ 0.0017731100000000, 0.0000000000000000, -0.0008236800000000 ]- atom: 56 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011160600000000, 0.0000000000000000, -0.0018493200000000 ] - [ -0.0016355200000000, 0.0000000000000000, -0.0006001000000000 ] - [ 0.0006228800000000, 0.0000000000000000, -0.0002414000000000 ] - [ 0.0005076000000000, 0.0000000000000000, -0.0000217800000000 ] - [ 0.0004824500000000, -0.0000050600000000, -0.0003924200000000 ] - [ 0.0009308500000000, 0.0017845000000000, 0.0017239900000000 ] - [ 0.0004824500000000, 0.0000050600000000, -0.0003924200000000 ] - [ 0.0009308500000000, -0.0017845000000000, 0.0017239900000000 ] - [ -0.0007665700000000, -0.0000792400000000, -0.0004452300000000 ] - [ 0.0007467600000000, 0.0000764400000000, 0.0002583100000000 ] - [ -0.0007665700000000, 0.0000792400000000, -0.0004452300000000 ] - [ 0.0007467600000000, -0.0000764400000000, 0.0002583100000000 ] - [ 0.0013659400000000, 0.0000000000000000, -0.0022814500000000 ] - [ 0.0030791100000000, 0.0000000000000000, 0.0010425800000000 ] - [ 0.0014461200000000, 0.0000000000000000, 0.0001321900000000 ] - [ -0.0013087800000000, 0.0000000000000000, 0.0020711500000000 ] - [ -0.0007023300000000, 0.0002791200000000, 0.0001557300000000 ] - [ 0.0012755700000000, 0.0000000000000000, 0.0002784100000000 ] - [ -0.0019616500000000, -0.0000634700000000, 0.0005177200000000 ] - [ 0.0033103400000000, 0.0000000000000000, 0.0016984200000000 ] - [ 0.0022745500000000, 0.0000000000000000, -0.0007325000000000 ] - [ -0.0443359300000000, 0.0340393100000000, -0.0174864800000000 ] - [ -0.0443359300000000, -0.0340393100000000, -0.0174864800000000 ] - [ 0.0026249500000000, 0.0000000000000000, 0.0002113800000000 ] - [ 0.0087535300000000, 0.0016869100000000, 0.0028573500000000 ] - [ 0.0087535300000000, -0.0016869100000000, 0.0028573500000000 ] - [ -0.0007023300000000, -0.0002791200000000, 0.0001557300000000 ] - [ -0.0019616500000000, 0.0000634700000000, 0.0005177200000000 ] - [ 0.0027181700000000, 0.0015944700000000, -0.0008507300000000 ] - [ -0.0012820900000000, 0.0000000000000000, 0.0026622900000000 ] - [ 0.0026041400000000, 0.0004682300000000, 0.0003386300000000 ] - [ -0.0010714800000000, 0.0000000000000000, 0.0010115500000000 ] - [ -0.0022001800000000, 0.0000000000000000, -0.0001922300000000 ] - [ 0.0014578800000000, 0.0003081300000000, -0.0003725800000000 ] - [ 0.0014578800000000, -0.0003081300000000, -0.0003725800000000 ] - [ -0.0019855700000000, 0.0000000000000000, 0.0001156300000000 ] - [ 0.0005107500000000, 0.0001534200000000, 0.0001490500000000 ] - [ 0.0005107500000000, -0.0001534200000000, 0.0001490500000000 ] - [ 0.0027181700000000, -0.0015944700000000, -0.0008507300000000 ] - [ 0.0026041400000000, -0.0004682300000000, 0.0003386300000000 ] - [ -0.0031687600000000, 0.0011577200000000, 0.0001103600000000 ] - [ 0.0002968400000000, 0.0002559900000000, -0.0006325300000000 ] - [ 0.0009819100000000, -0.0003848700000000, -0.0007636000000000 ] - [ -0.0015606900000000, 0.0000000000000000, -0.0002474300000000 ] - [ 0.0002968400000000, -0.0002559900000000, -0.0006325300000000 ] - [ 0.0048596900000000, -0.0099372800000000, 0.0012222900000000 ] - [ 0.0013008300000000, -0.0002092800000000, 0.0008798100000000 ] - [ 0.0048596900000000, 0.0099372800000000, 0.0012222900000000 ] - [ -0.0018088400000000, 0.0000000000000000, 0.0007376100000000 ] - [ 0.0005701300000000, -0.0003200900000000, -0.0005460000000000 ] - [ -0.0134212800000000, -0.0179765600000000, -0.0049507200000000 ] - [ -0.0003116600000000, 0.0000000000000000, -0.0007322200000000 ] - [ -0.0031687600000000, -0.0011577200000000, 0.0001103600000000 ] - [ 0.0073353100000000, 0.0010635900000000, 0.0006109700000000 ] - [ -0.0000135600000000, 0.0002302000000000, 0.0003238200000000 ] - [ 0.0826953000000000, 0.0000000000000000, 0.0389250400000000 ] - [ 0.0073353100000000, -0.0010635900000000, 0.0006109700000000 ] - [ 0.0005874700000000, 0.0000000000000000, -0.0004080300000000 ] - [ -0.0000135600000000, -0.0002302000000000, 0.0003238200000000 ] - [ -0.0134212800000000, 0.0179765600000000, -0.0049507200000000 ] - [ 0.0018773000000000, 0.0000000000000000, -0.0003365000000000 ] - [ 0.0009819100000000, 0.0003848700000000, -0.0007636000000000 ] - [ 0.0013008300000000, 0.0002092800000000, 0.0008798100000000 ] - [ 0.0013880300000000, 0.0000000000000000, -0.0003878300000000 ] - [ -0.0006552200000000, 0.0002942500000000, -0.0019328000000000 ] - [ 0.0005701300000000, 0.0003200900000000, -0.0005460000000000 ] - [ -0.0006552200000000, -0.0002942500000000, -0.0019328000000000 ] - [ -0.0017952400000000, 0.0000000000000000, -0.0000338700000000 ] - [ -0.0008929900000000, 0.0000000000000000, -0.0021106400000000 ] - [ 0.0003052700000000, 0.0000000000000000, -0.0000015500000000 ] - [ 0.0002149900000000, -0.0000255500000000, -0.0000521800000000 ] - [ -0.0013993000000000, -0.0000349300000000, -0.0004096200000000 ] - [ -0.0016466100000000, 0.0007820500000000, -0.0002555100000000 ] - [ 0.0007224300000000, 0.0000000000000000, 0.0014396900000000 ] - [ -0.0013993000000000, 0.0000349300000000, -0.0004096200000000 ] - [ -0.0009869700000000, -0.0004627700000000, 0.0000499900000000 ] - [ -0.0021081600000000, -0.0002080700000000, 0.0006450500000000 ] - [ -0.0009869700000000, 0.0004627700000000, 0.0000499900000000 ] - [ 0.0006157400000000, 0.0000000000000000, -0.0007356600000000 ] - [ -0.0009753000000000, -0.0001163300000000, -0.0004293100000000 ] - [ -0.0009855900000000, -0.0000374800000000, -0.0004919100000000 ] - [ -0.0000116800000000, 0.0000000000000000, -0.0011417500000000 ] - [ 0.0002149900000000, 0.0000255500000000, -0.0000521800000000 ] - [ -0.0006583800000000, 0.0002656500000000, 0.0005938300000000 ] - [ -0.0004142600000000, 0.0004279600000000, 0.0005567000000000 ] - [ -0.0006470300000000, 0.0000000000000000, 0.0001409200000000 ] - [ -0.0006583800000000, -0.0002656500000000, 0.0005938300000000 ] - [ -0.0010359600000000, 0.0000000000000000, -0.0001218700000000 ] - [ -0.0004142600000000, -0.0004279600000000, 0.0005567000000000 ] - [ -0.0009855900000000, 0.0000374800000000, -0.0004919100000000 ] - [ -0.0014869600000000, 0.0000000000000000, -0.0001120900000000 ] - [ -0.0016466100000000, -0.0007820500000000, -0.0002555100000000 ] - [ -0.0021081600000000, 0.0002080700000000, 0.0006450500000000 ] - [ -0.0021285400000000, 0.0000000000000000, -0.0001577300000000 ] - [ -0.0002907800000000, -0.0003269500000000, -0.0000057600000000 ] - [ -0.0009753000000000, 0.0001163300000000, -0.0004293100000000 ] - [ -0.0002907800000000, 0.0003269500000000, -0.0000057600000000 ] - [ 0.0000239800000000, 0.0000000000000000, 0.0000848300000000 ] - [ 0.0003775700000000, 0.0000000000000000, -0.0005199000000000 ] - [ -0.0013680700000000, 0.0000000000000000, 0.0004617000000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000033000000000, 0.0029230800000000, -0.0001287800000000 ] - [ -0.0000093400000000, -0.0046006600000000, 0.0001299200000000 ] - [ 0.0000013700000000, -0.0002130600000000, -0.0001260900000000 ] - [ -0.0000000500000000, 0.0000981600000000, 0.0001250200000000 ] - [ 0.0000482900000000, 0.0000607500000000, -0.0002591000000000 ] - [ -0.0026803600000000, -0.0007340900000000, -0.0027288000000000 ] - [ -0.0005322800000000, 0.0000614500000000, 0.0002592300000000 ] - [ 0.0031765300000000, -0.0007193900000000, 0.0027424900000000 ] - [ 0.0008448600000000, -0.0003450300000000, -0.0011374500000000 ] - [ 0.0000498500000000, -0.0000603000000000, -0.0001822600000000 ] - [ -0.0013379300000000, -0.0003528700000000, 0.0011363500000000 ] - [ 0.0004363300000000, -0.0000610800000000, 0.0001815900000000 ] - [ 0.0000309000000000, -0.0185444200000000, -0.0000318100000000 ] - [ 0.0000001100000000, -0.0028284800000000, -0.0000002800000000 ] - [ 0.0000037400000000, 0.0004081500000000, 0.0000003400000000 ] - [ -0.0000051900000000, 0.0019566600000000, 0.0000012400000000 ] - [ -0.0009451900000000, -0.0002877700000000, 0.0006026300000000 ] - [ -0.0003076600000000, -0.0005432100000000, -0.0004016000000000 ] - [ -0.0001434200000000, -0.0014791200000000, 0.0009852600000000 ] - [ -0.0003236900000000, 0.0018554500000000, 0.0004134900000000 ] - [ 0.0003201000000000, -0.0001384800000000, -0.0004097300000000 ] - [ -0.0282394300000000, 0.1548010600000000, -0.0517820400000000 ] - [ 0.0315665100000000, 0.1642710600000000, 0.0559604100000000 ] - [ 0.0003177200000000, 0.0003500400000000, 0.0004118100000000 ] - [ 0.0146137500000000, 0.0074368800000000, 0.0024004500000000 ] - [ -0.0150701900000000, 0.0070298100000000, -0.0031286500000000 ] - [ 0.0004836200000000, -0.0007111400000000, 0.0001269100000000 ] - [ 0.0006031000000000, -0.0019090700000000, -0.0002466600000000 ] - [ -0.0017794300000000, 0.0013724600000000, 0.0010564500000000 ] - [ -0.0003077000000000, 0.0041336500000000, -0.0004138900000000 ] - [ 0.0001864000000000, 0.0005010000000000, 0.0003982000000000 ] - [ -0.0003158600000000, -0.0010107800000000, 0.0004097000000000 ] - [ 0.0003255100000000, 0.0234940100000000, -0.0003727100000000 ] - [ 0.0002686900000000, 0.0001310600000000, -0.0003573900000000 ] - [ 0.0001955500000000, -0.0002895500000000, -0.0003704100000000 ] - [ 0.0003100900000000, -0.0033951200000000, 0.0004047700000000 ] - [ -0.0000444800000000, -0.0000328000000000, -0.0002486200000000 ] - [ -0.0004184400000000, -0.0004570900000000, -0.0004749100000000 ] - [ 0.0013229400000000, 0.0009750000000000, -0.0003211700000000 ] - [ 0.0002782100000000, 0.0000821300000000, 0.0003307400000000 ] - [ -0.0043311100000000, 0.0012621500000000, 0.0002148500000000 ] - [ 0.0002344300000000, 0.0005761000000000, -0.0005968100000000 ] - [ -0.0000175400000000, 0.0000009100000000, 0.0017322500000000 ] - [ -0.0005160800000000, -0.0001487700000000, 0.0000434000000000 ] - [ -0.0000092400000000, 0.0000335900000000, -0.0003876000000000 ] - [ 0.0073020800000000, 0.0361618100000000, -0.0060963200000000 ] - [ 0.0004915900000000, 0.0003405700000000, 0.0000420500000000 ] - [ -0.0079572100000000, 0.0370937200000000, 0.0063098100000000 ] - [ -0.0005169500000000, 0.0003549700000000, -0.0000434100000000 ] - [ -0.0001627000000000, 0.0007970300000000, -0.0006633800000000 ] - [ 0.0277790200000000, 0.0112766200000000, 0.0051518900000000 ] - [ 0.0005035700000000, 0.0019461100000000, -0.0000546600000000 ] - [ 0.0048801600000000, 0.0016068700000000, -0.0000876900000000 ] - [ -0.0034592700000000, -0.0018310200000000, -0.0220123400000000 ] - [ 0.0000297200000000, 0.0000296400000000, 0.0001732000000000 ] - [ -0.0032489000000000, -0.4196189800000000, -0.0049125200000000 ] - [ 0.0032488100000000, -0.0024648700000000, 0.0230138700000000 ] - [ -0.0002037700000000, 0.0017380800000000, -0.0001908600000000 ] - [ 0.0005100400000000, -0.0003161000000000, -0.0003035700000000 ] - [ -0.0275437100000000, 0.0112842200000000, -0.0060196100000000 ] - [ -0.0000066400000000, -0.0033778500000000, -0.0000088600000000 ] - [ -0.0005233200000000, -0.0003532600000000, -0.0018643800000000 ] - [ -0.0004900900000000, 0.0002971600000000, 0.0008853600000000 ] - [ 0.0000011200000000, 0.0011238400000000, 0.0000079300000000 ] - [ 0.0020544200000000, -0.0026347400000000, 0.0032274900000000 ] - [ -0.0000614800000000, 0.0013339100000000, -0.0003217700000000 ] - [ -0.0018288000000000, -0.0020864600000000, -0.0022329600000000 ] - [ 0.0002062900000000, -0.0062303800000000, 0.0001844000000000 ] - [ 0.0005212200000000, -0.0011093500000000, 0.0000457400000000 ] - [ 0.0002051700000000, 0.0006115500000000, -0.0001870500000000 ] - [ 0.0001398900000000, -0.0003297600000000, 0.0001577300000000 ] - [ 0.0009735200000000, -0.0005147100000000, -0.0003173400000000 ] - [ -0.0001626500000000, 0.0003669500000000, -0.0000186000000000 ] - [ -0.0005069300000000, 0.0027912800000000, 0.0000586600000000 ] - [ -0.0007456900000000, -0.0010652200000000, -0.0006724800000000 ] - [ -0.0002625300000000, -0.0002113100000000, 0.0000878500000000 ] - [ 0.0003336200000000, -0.0001613000000000, 0.0003585200000000 ] - [ -0.0002816900000000, 0.0001332900000000, 0.0000425500000000 ] - [ -0.0005112200000000, -0.0036234800000000, -0.0000517700000000 ] - [ -0.0000729300000000, -0.0004409500000000, -0.0005701200000000 ] - [ 0.0000773400000000, 0.0000132600000000, -0.0004510000000000 ] - [ 0.0005131100000000, -0.0007061700000000, -0.0000439600000000 ] - [ 0.0004061300000000, 0.0000179800000000, -0.0000287300000000 ] - [ -0.0001034000000000, 0.0003301200000000, 0.0005061400000000 ] - [ -0.0006320800000000, 0.0015520500000000, 0.0001200400000000 ] - [ -0.0002055500000000, 0.0000886500000000, 0.0001857400000000 ] - [ -0.0001238300000000, -0.0002125100000000, 0.0004765700000000 ] - [ -0.0002060500000000, -0.0002880800000000, -0.0001859300000000 ] - [ 0.0011564600000000, 0.0012338100000000, -0.0002387200000000 ] - [ -0.0000786500000000, 0.0000609300000000, -0.0004784400000000 ] - [ -0.0000046000000000, 0.0000755100000000, -0.0000087100000000 ] - [ -0.0003808700000000, 0.0000239200000000, -0.0001111300000000 ] - [ -0.0003386900000000, -0.0002123900000000, 0.0005695000000000 ] - [ 0.0000009300000000, -0.0002503500000000, 0.0000066000000000 ] - [ 0.0002877600000000, -0.0000220000000000, 0.0005034700000000 ] - [ -0.0001537000000000, 0.0001033400000000, -0.0004148300000000 ] - [ -0.0000641000000000, 0.0005167400000000, 0.0004717000000000 ] - [ 0.0002052500000000, 0.0002538700000000, 0.0001854700000000 ] - [ 0.0005148100000000, 0.0005613500000000, 0.0000448700000000 ] - [ 0.0002086600000000, -0.0010102000000000, -0.0001867200000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0026027800000000, 0.0000000000000000, -0.0021076800000000 ] - [ 0.0002946000000000, 0.0000000000000000, 0.0004128100000000 ] - [ 0.0000440100000000, 0.0000000000000000, -0.0001447300000000 ] - [ 0.0000483100000000, 0.0000000000000000, 0.0000344300000000 ] - [ -0.0002056900000000, -0.0000464200000000, 0.0000700900000000 ] - [ -0.0014121600000000, -0.0020877700000000, -0.0006399100000000 ] - [ -0.0002056900000000, 0.0000464200000000, 0.0000700900000000 ] - [ -0.0014121600000000, 0.0020877700000000, -0.0006399100000000 ] - [ 0.0013423200000000, -0.0008191900000000, -0.0008650100000000 ] - [ 0.0000437300000000, -0.0000730500000000, -0.0000681200000000 ] - [ 0.0013423200000000, 0.0008191900000000, -0.0008650100000000 ] - [ 0.0000437300000000, 0.0000730500000000, -0.0000681200000000 ] - [ 0.0000595600000000, 0.0000000000000000, 0.0027206900000000 ] - [ -0.0002713300000000, 0.0000000000000000, 0.0004234800000000 ] - [ -0.0000227900000000, 0.0000000000000000, -0.0009465200000000 ] - [ 0.0002263800000000, 0.0000000000000000, -0.0058584400000000 ] - [ 0.0002916500000000, 0.0005757900000000, -0.0008304300000000 ] - [ -0.0007319800000000, 0.0000000000000000, -0.0004543900000000 ] - [ 0.0009962900000000, 0.0018283600000000, -0.0027939600000000 ] - [ -0.0024841800000000, 0.0000000000000000, 0.0015268600000000 ] - [ 0.0000572400000000, 0.0000000000000000, -0.0004107100000000 ] - [ 0.0169845300000000, -0.0593754300000000, 0.0637647400000000 ] - [ 0.0169845300000000, 0.0593754300000000, 0.0637647400000000 ] - [ -0.0001715800000000, 0.0000000000000000, 0.0006825600000000 ] - [ -0.0001415700000000, 0.0003087100000000, 0.0013151500000000 ] - [ -0.0001415700000000, -0.0003087100000000, 0.0013151500000000 ] - [ 0.0002916500000000, -0.0005757900000000, -0.0008304300000000 ] - [ 0.0009962900000000, -0.0018283600000000, -0.0027939600000000 ] - [ 0.0001600700000000, 0.0003168700000000, 0.0018227000000000 ] - [ -0.0047066700000000, 0.0000000000000000, 0.0005065700000000 ] - [ 0.0001199300000000, 0.0001597600000000, 0.0006470500000000 ] - [ -0.0016702900000000, 0.0000000000000000, -0.0003509200000000 ] - [ -0.0018518500000000, 0.0000000000000000, -0.0144331800000000 ] - [ 0.0001352900000000, 0.0001984700000000, -0.0005405200000000 ] - [ 0.0001352900000000, -0.0001984700000000, -0.0005405200000000 ] - [ 0.0002303100000000, 0.0000000000000000, -0.0015440700000000 ] - [ -0.0002212900000000, 0.0001876900000000, -0.0010257300000000 ] - [ -0.0002212900000000, -0.0001876900000000, -0.0010257300000000 ] - [ 0.0001600700000000, -0.0003168700000000, 0.0018227000000000 ] - [ 0.0001199300000000, -0.0001597600000000, 0.0006470500000000 ] - [ 0.0002513800000000, -0.0002025600000000, -0.0001774800000000 ] - [ 0.0003053700000000, 0.0001432600000000, 0.0003397900000000 ] - [ -0.0000923900000000, 0.0014119200000000, 0.0027314300000000 ] - [ -0.0003991600000000, 0.0000000000000000, 0.0001319300000000 ] - [ 0.0003053700000000, -0.0001432600000000, 0.0003397900000000 ] - [ 0.0009244500000000, 0.0050425300000000, -0.0066997500000000 ] - [ -0.0004651800000000, -0.0006350600000000, 0.0013720000000000 ] - [ 0.0009244500000000, -0.0050425300000000, -0.0066997500000000 ] - [ -0.0003945800000000, 0.0000000000000000, -0.0001933800000000 ] - [ -0.0002133600000000, -0.0001994500000000, 0.0019922500000000 ] - [ -0.0025187100000000, -0.0008071600000000, -0.0074692300000000 ] - [ 0.0006886500000000, 0.0000000000000000, -0.0002818100000000 ] - [ 0.0002513800000000, 0.0002025600000000, -0.0001774800000000 ] - [ 0.0035679700000000, -0.0132078600000000, 0.0198353100000000 ] - [ -0.0001135600000000, 0.0003815400000000, 0.0003614100000000 ] - [ -0.0390620900000000, 0.0000000000000000, -0.1318661900000000 ] - [ 0.0035679700000000, 0.0132078600000000, 0.0198353100000000 ] - [ -0.0004233400000000, 0.0000000000000000, 0.0007130200000000 ] - [ -0.0001135600000000, -0.0003815400000000, 0.0003614100000000 ] - [ -0.0025187100000000, 0.0008071600000000, -0.0074692300000000 ] - [ 0.0043314700000000, 0.0000000000000000, 0.0019912700000000 ] - [ -0.0000923900000000, -0.0014119200000000, 0.0027314300000000 ] - [ -0.0004651800000000, 0.0006350600000000, 0.0013720000000000 ] - [ 0.0008580600000000, 0.0000000000000000, 0.0005318600000000 ] - [ 0.0008591100000000, 0.0002334800000000, -0.0007912100000000 ] - [ -0.0002133600000000, 0.0001994500000000, 0.0019922500000000 ] - [ 0.0008591100000000, -0.0002334800000000, -0.0007912100000000 ] - [ -0.0000244300000000, 0.0000000000000000, -0.0007208000000000 ] - [ 0.0023782900000000, 0.0000000000000000, 0.0014083800000000 ] - [ 0.0000197800000000, 0.0000000000000000, 0.0000732800000000 ] - [ 0.0000910400000000, -0.0001627100000000, 0.0007870000000000 ] - [ 0.0006037300000000, 0.0005485700000000, -0.0014633000000000 ] - [ -0.0001512300000000, 0.0001318500000000, -0.0001542200000000 ] - [ -0.0013890100000000, 0.0000000000000000, -0.0005146300000000 ] - [ 0.0006037300000000, -0.0005485700000000, -0.0014633000000000 ] - [ -0.0002020500000000, -0.0001359600000000, 0.0002061100000000 ] - [ -0.0000463400000000, 0.0000185900000000, 0.0002523400000000 ] - [ -0.0002020500000000, 0.0001359600000000, 0.0002061100000000 ] - [ -0.0033576600000000, 0.0000000000000000, 0.0056463400000000 ] - [ -0.0000052600000000, -0.0003582100000000, -0.0007200800000000 ] - [ 0.0000358700000000, -0.0000422800000000, -0.0003511800000000 ] - [ 0.0016352100000000, 0.0000000000000000, 0.0005599600000000 ] - [ 0.0000910400000000, 0.0001627100000000, 0.0007870000000000 ] - [ -0.0000596000000000, 0.0002778100000000, 0.0005756100000000 ] - [ -0.0000729100000000, 0.0005333300000000, -0.0008052600000000 ] - [ -0.0001591200000000, 0.0000000000000000, 0.0002643000000000 ] - [ -0.0000596000000000, -0.0002778100000000, 0.0005756100000000 ] - [ -0.0001400400000000, 0.0000000000000000, -0.0002919900000000 ] - [ -0.0000729100000000, -0.0005333300000000, -0.0008052600000000 ] - [ 0.0000358700000000, 0.0000422800000000, -0.0003511800000000 ] - [ 0.0002596300000000, 0.0000000000000000, -0.0000242200000000 ] - [ -0.0001512300000000, -0.0001318500000000, -0.0001542200000000 ] - [ -0.0000463400000000, -0.0000185900000000, 0.0002523400000000 ] - [ 0.0008038300000000, 0.0000000000000000, -0.0001427300000000 ] - [ 0.0002798800000000, -0.0002071600000000, 0.0008496800000000 ] - [ -0.0000052600000000, 0.0003582100000000, -0.0007200800000000 ] - [ 0.0002798800000000, 0.0002071600000000, 0.0008496800000000 ] - [ 0.0001022000000000, 0.0000000000000000, 0.0004656500000000 ] - [ 0.0009166100000000, 0.0000000000000000, -0.0000718400000000 ] - [ -0.0004394500000000, 0.0000000000000000, -0.0007896900000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0025807300000000, 0.0000000000000000, 0.0018095300000000 ] - [ -0.0002922600000000, 0.0000000000000000, -0.0001745200000000 ] - [ -0.0000436100000000, 0.0000000000000000, -0.0001052200000000 ] - [ -0.0000469300000000, 0.0000000000000000, 0.0002183900000000 ] - [ -0.0002786600000000, 0.0000470300000000, -0.0000744900000000 ] - [ 0.0019015900000000, 0.0020992600000000, 0.0006297800000000 ] - [ -0.0002786600000000, -0.0000470300000000, -0.0000744900000000 ] - [ 0.0019015900000000, -0.0020992600000000, 0.0006297800000000 ] - [ -0.0018191600000000, 0.0008152500000000, 0.0008665800000000 ] - [ 0.0004415100000000, 0.0000733200000000, 0.0000699800000000 ] - [ -0.0018191600000000, -0.0008152500000000, 0.0008665800000000 ] - [ 0.0004415100000000, -0.0000733200000000, 0.0000699800000000 ] - [ -0.0000940500000000, 0.0000000000000000, -0.0026867700000000 ] - [ 0.0002807200000000, 0.0000000000000000, -0.0004143900000000 ] - [ 0.0000187100000000, 0.0000000000000000, 0.0009470200000000 ] - [ -0.0002063400000000, 0.0000000000000000, 0.0058630700000000 ] - [ -0.0007634900000000, -0.0001605200000000, 0.0015584200000000 ] - [ 0.0000950800000000, 0.0000000000000000, -0.0003797800000000 ] - [ -0.0005410200000000, -0.0014200400000000, 0.0035205900000000 ] - [ 0.0018615000000000, 0.0000000000000000, -0.0007207000000000 ] - [ 0.0005800800000000, 0.0000000000000000, -0.0004170100000000 ] - [ -0.0162304200000000, 0.0584723500000000, -0.0648244300000000 ] - [ -0.0162304200000000, -0.0584723500000000, -0.0648244300000000 ] - [ 0.0008085000000000, 0.0000000000000000, 0.0001342900000000 ] - [ -0.0002639900000000, 0.0001344800000000, -0.0020191900000000 ] - [ -0.0002639900000000, -0.0001344800000000, -0.0020191900000000 ] - [ -0.0007634900000000, 0.0001605200000000, 0.0015584200000000 ] - [ -0.0005410200000000, 0.0014200400000000, 0.0035205900000000 ] - [ -0.0006265300000000, 0.0001047300000000, -0.0010958900000000 ] - [ 0.0040485100000000, 0.0000000000000000, -0.0013056800000000 ] - [ 0.0003446800000000, 0.0002615900000000, 0.0000802300000000 ] - [ 0.0010265400000000, 0.0000000000000000, 0.0011810800000000 ] - [ 0.0024792900000000, 0.0000000000000000, 0.0135986700000000 ] - [ 0.0003289800000000, 0.0002208600000000, -0.0001903300000000 ] - [ 0.0003289800000000, -0.0002208600000000, -0.0001903300000000 ] - [ 0.0004031900000000, 0.0000000000000000, 0.0023741000000000 ] - [ -0.0002346000000000, 0.0002285900000000, 0.0002944000000000 ] - [ -0.0002346000000000, -0.0002285900000000, 0.0002944000000000 ] - [ -0.0006265300000000, -0.0001047300000000, -0.0010958900000000 ] - [ 0.0003446800000000, -0.0002615900000000, 0.0000802300000000 ] - [ 0.0002718700000000, -0.0001366500000000, 0.0003062300000000 ] - [ -0.0000762800000000, 0.0004020900000000, -0.0013279100000000 ] - [ -0.0004543000000000, -0.0010794200000000, -0.0028704500000000 ] - [ -0.0006317200000000, 0.0000000000000000, -0.0000417500000000 ] - [ -0.0000762800000000, -0.0004020900000000, -0.0013279100000000 ] - [ -0.0014774900000000, -0.0053587600000000, 0.0068254100000000 ] - [ 0.0004732600000000, 0.0006908700000000, -0.0004448700000000 ] - [ -0.0014774900000000, 0.0053587600000000, 0.0068254100000000 ] - [ -0.0006419700000000, 0.0000000000000000, 0.0001106000000000 ] - [ -0.0000114100000000, -0.0003496900000000, -0.0029770600000000 ] - [ 0.0024350200000000, 0.0006833700000000, 0.0065128700000000 ] - [ 0.0003509300000000, 0.0000000000000000, 0.0002030400000000 ] - [ 0.0002718700000000, 0.0001366500000000, 0.0003062300000000 ] - [ -0.0037322000000000, 0.0134536300000000, -0.0184756800000000 ] - [ 0.0006625500000000, -0.0000392200000000, -0.0004923900000000 ] - [ 0.0380631600000000, 0.0000000000000000, 0.1322916600000000 ] - [ -0.0037322000000000, -0.0134536300000000, -0.0184756800000000 ] - [ 0.0000161000000000, 0.0000000000000000, -0.0010804200000000 ] - [ 0.0006625500000000, 0.0000392200000000, -0.0004923900000000 ] - [ 0.0024350200000000, -0.0006833700000000, 0.0065128700000000 ] - [ -0.0043031300000000, 0.0000000000000000, -0.0020022500000000 ] - [ -0.0004543000000000, 0.0010794200000000, -0.0028704500000000 ] - [ 0.0004732600000000, -0.0006908700000000, -0.0004448700000000 ] - [ -0.0008497000000000, 0.0000000000000000, -0.0005249900000000 ] - [ -0.0006333600000000, -0.0007708400000000, 0.0017560800000000 ] - [ -0.0000114100000000, 0.0003496900000000, -0.0029770600000000 ] - [ -0.0006333600000000, 0.0007708400000000, 0.0017560800000000 ] - [ 0.0004206000000000, 0.0000000000000000, 0.0010972000000000 ] - [ -0.0013638000000000, 0.0000000000000000, -0.0013176100000000 ] - [ 0.0003915500000000, 0.0000000000000000, -0.0004441600000000 ] - [ 0.0004456400000000, -0.0001765900000000, -0.0006585000000000 ] - [ -0.0003774600000000, -0.0000082700000000, 0.0004833800000000 ] - [ -0.0003947600000000, 0.0002131100000000, 0.0000217600000000 ] - [ 0.0003493700000000, 0.0000000000000000, 0.0005848400000000 ] - [ -0.0003774600000000, 0.0000082700000000, 0.0004833800000000 ] - [ -0.0003410000000000, -0.0002072400000000, -0.0000761000000000 ] - [ 0.0000460300000000, 0.0000308700000000, 0.0006750800000000 ] - [ -0.0003410000000000, 0.0002072400000000, -0.0000761000000000 ] - [ 0.0023131600000000, 0.0000000000000000, -0.0057190600000000 ] - [ -0.0002219500000000, -0.0001843400000000, -0.0002621900000000 ] - [ -0.0000397300000000, -0.0000085100000000, -0.0005761200000000 ] - [ -0.0006009500000000, 0.0000000000000000, -0.0006537800000000 ] - [ 0.0004456400000000, 0.0001765900000000, -0.0006585000000000 ] - [ -0.0001668700000000, 0.0002666800000000, 0.0004109800000000 ] - [ 0.0006209100000000, -0.0001846300000000, 0.0006676400000000 ] - [ -0.0002497700000000, 0.0000000000000000, 0.0001087800000000 ] - [ -0.0001668700000000, -0.0002666800000000, 0.0004109800000000 ] - [ -0.0002692700000000, 0.0000000000000000, -0.0000825800000000 ] - [ 0.0006209100000000, 0.0001846300000000, 0.0006676400000000 ] - [ -0.0000397300000000, 0.0000085100000000, -0.0005761200000000 ] - [ -0.0002601600000000, 0.0000000000000000, 0.0000132500000000 ] - [ -0.0003947600000000, -0.0002131100000000, 0.0000217600000000 ] - [ 0.0000460300000000, -0.0000308700000000, 0.0006750800000000 ] - [ -0.0008083800000000, 0.0000000000000000, 0.0001583800000000 ] - [ -0.0000553100000000, -0.0003392400000000, 0.0001382500000000 ] - [ -0.0002219500000000, 0.0001843400000000, -0.0002621900000000 ] - [ -0.0000553100000000, 0.0003392400000000, 0.0001382500000000 ] - [ 0.0003041700000000, 0.0000000000000000, -0.0000926000000000 ] - [ 0.0001183400000000, 0.0000000000000000, 0.0001511100000000 ] - [ 0.0008491300000000, 0.0000000000000000, 0.0004141500000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0024902600000000, 0.0000000000000000, -0.0001225500000000 ] - [ 0.0021192100000000, 0.0000000000000000, 0.0001252900000000 ] - [ -0.0015373700000000, 0.0000000000000000, -0.0001247600000000 ] - [ -0.0021673700000000, 0.0000000000000000, 0.0001268900000000 ] - [ -0.0008108500000000, 0.0002019100000000, 0.0000679100000000 ] - [ -0.0003287700000000, -0.0002005100000000, -0.0000705400000000 ] - [ -0.0008108500000000, -0.0002019100000000, 0.0000679100000000 ] - [ -0.0003287700000000, 0.0002005100000000, -0.0000705400000000 ] - [ -0.0022714300000000, 0.0027671200000000, -0.0000996500000000 ] - [ -0.0017824700000000, -0.0027781400000000, 0.0001077900000000 ] - [ -0.0022714300000000, -0.0027671200000000, -0.0000996500000000 ] - [ -0.0017824700000000, 0.0027781400000000, 0.0001077900000000 ] - [ -0.0026033300000000, 0.0000000000000000, -0.0009209900000000 ] - [ -0.0025877000000000, 0.0000000000000000, 0.0009211300000000 ] - [ -0.0071030600000000, 0.0000000000000000, -0.0126556000000000 ] - [ -0.0070893300000000, 0.0000000000000000, 0.0125859800000000 ] - [ 0.0049824400000000, -0.0012161400000000, -0.0026413400000000 ] - [ -0.0035791400000000, 0.0000000000000000, -0.0001433900000000 ] - [ 0.0054216800000000, 0.0016295400000000, 0.0033841800000000 ] - [ -0.0044232700000000, 0.0000000000000000, 0.0006103500000000 ] - [ -0.0029457200000000, 0.0000000000000000, -0.0006815400000000 ] - [ 0.0092603300000000, -0.0028697200000000, -0.0145149400000000 ] - [ 0.0092603300000000, 0.0028697200000000, -0.0145149400000000 ] - [ -0.0037943300000000, 0.0000000000000000, 0.0002014600000000 ] - [ 0.0088025100000000, 0.0032787200000000, 0.0137500500000000 ] - [ 0.0088025100000000, -0.0032787200000000, 0.0137500500000000 ] - [ 0.0049824400000000, 0.0012161400000000, -0.0026413400000000 ] - [ 0.0054216800000000, -0.0016295400000000, 0.0033841800000000 ] - [ -0.0046091900000000, -0.0001772600000000, -0.0002043200000000 ] - [ 0.2131002200000000, 0.0000000000000000, -0.0734169200000000 ] - [ -0.0041452700000000, 0.0005979600000000, 0.0009363800000000 ] - [ 0.0058799200000000, 0.0000000000000000, 0.0018204000000000 ] - [ 0.2010886400000000, 0.0000000000000000, 0.0664855700000000 ] - [ -0.0043162900000000, -0.0012157600000000, -0.0009859500000000 ] - [ -0.0043162900000000, 0.0012157600000000, -0.0009859500000000 ] - [ 0.0064906100000000, 0.0000000000000000, -0.0009999500000000 ] - [ -0.0047762400000000, 0.0016257600000000, 0.0002498200000000 ] - [ -0.0047762400000000, -0.0016257600000000, 0.0002498200000000 ] - [ -0.0046091900000000, 0.0001772600000000, -0.0002043200000000 ] - [ -0.0041452700000000, -0.0005979600000000, 0.0009363800000000 ] - [ -0.0001778300000000, -0.0020877400000000, -0.0028957400000000 ] - [ -0.0016739800000000, 0.0021778700000000, 0.0007619200000000 ] - [ -0.0017661100000000, 0.0019790200000000, -0.0016407600000000 ] - [ 0.0020091900000000, 0.0000000000000000, 0.0025825200000000 ] - [ -0.0016739800000000, -0.0021778700000000, 0.0007619200000000 ] - [ -0.0007159300000000, 0.0017476700000000, 0.0030281500000000 ] - [ -0.0054714400000000, 0.0000223700000000, 0.0004593600000000 ] - [ -0.0007159300000000, -0.0017476700000000, 0.0030281500000000 ] - [ 0.0010082600000000, 0.0000000000000000, -0.0009406600000000 ] - [ -0.0018859400000000, 0.0016319100000000, -0.0017541500000000 ] - [ -0.0094600400000000, -0.0000261000000000, -0.0004624400000000 ] - [ 0.0020385000000000, 0.0000000000000000, 0.0008519500000000 ] - [ -0.0001778300000000, 0.0020877400000000, -0.0028957400000000 ] - [ 0.0073969300000000, 0.0111510300000000, 0.0228299000000000 ] - [ -0.0012389700000000, -0.0016484500000000, 0.0015147600000000 ] - [ -0.0020935100000000, 0.0000000000000000, 0.0045050100000000 ] - [ 0.0073969300000000, -0.0111510300000000, 0.0228299000000000 ] - [ -0.0015947900000000, 0.0000000000000000, -0.0010428100000000 ] - [ -0.0012389700000000, 0.0016484500000000, 0.0015147600000000 ] - [ -0.0094600400000000, 0.0000261000000000, -0.0004624400000000 ] - [ -0.5119266600000000, 0.0000000000000000, 0.0062970600000000 ] - [ -0.0017661100000000, -0.0019790200000000, -0.0016407600000000 ] - [ -0.0054714400000000, -0.0000223700000000, 0.0004593600000000 ] - [ -0.0064449600000000, 0.0000000000000000, 0.0000023700000000 ] - [ 0.0075945300000000, 0.0106672800000000, -0.0219450200000000 ] - [ -0.0018859400000000, -0.0016319100000000, -0.0017541500000000 ] - [ 0.0075945300000000, -0.0106672800000000, -0.0219450200000000 ] - [ -0.0016867000000000, 0.0000000000000000, -0.0041278000000000 ] - [ 0.0030290000000000, 0.0000000000000000, -0.0024758200000000 ] - [ -0.0011910900000000, 0.0000000000000000, 0.0006653400000000 ] - [ 0.0036699400000000, -0.0025595100000000, -0.0009096800000000 ] - [ 0.0014520600000000, 0.0003018100000000, -0.0004130100000000 ] - [ 0.0018620800000000, 0.0000171000000000, -0.0006006300000000 ] - [ -0.0011120800000000, 0.0000000000000000, 0.0000299400000000 ] - [ 0.0014520600000000, -0.0003018100000000, -0.0004130100000000 ] - [ 0.0031351000000000, 0.0022271300000000, 0.0010440400000000 ] - [ 0.0039577800000000, 0.0000250000000000, 0.0004623500000000 ] - [ 0.0031351000000000, -0.0022271300000000, 0.0010440400000000 ] - [ 0.0319778800000000, 0.0000000000000000, -0.0075263400000000 ] - [ 0.0012261200000000, -0.0002415600000000, -0.0005713900000000 ] - [ 0.0044224900000000, -0.0000271100000000, -0.0004615100000000 ] - [ 0.0335916000000000, 0.0000000000000000, 0.0075302100000000 ] - [ 0.0036699400000000, 0.0025595100000000, -0.0009096800000000 ] - [ 0.0011494000000000, 0.0007104000000000, 0.0009462700000000 ] - [ 0.0024087000000000, 0.0003281500000000, 0.0004678500000000 ] - [ 0.0012834500000000, 0.0000000000000000, 0.0004474100000000 ] - [ 0.0011494000000000, -0.0007104000000000, 0.0009462700000000 ] - [ 0.0019212300000000, 0.0000000000000000, -0.0009944300000000 ] - [ 0.0024087000000000, -0.0003281500000000, 0.0004678500000000 ] - [ 0.0044224900000000, 0.0000271100000000, -0.0004615100000000 ] - [ 0.0030282900000000, 0.0000000000000000, -0.0000035200000000 ] - [ 0.0018620800000000, -0.0000171000000000, -0.0006006300000000 ] - [ 0.0039577800000000, -0.0000250000000000, 0.0004623500000000 ] - [ 0.0035241100000000, 0.0000000000000000, 0.0000062900000000 ] - [ 0.0013750100000000, 0.0001618400000000, 0.0000455200000000 ] - [ 0.0012261200000000, 0.0002415600000000, -0.0005713900000000 ] - [ 0.0013750100000000, -0.0001618400000000, 0.0000455200000000 ] - [ 0.0016929000000000, 0.0000000000000000, -0.0000727800000000 ] - [ -0.0000961700000000, 0.0000000000000000, 0.0000667100000000 ] - [ 0.0023306200000000, 0.0000000000000000, 0.0006176300000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0005755900000000, -0.0001282400000000 ] - [ 0.0000000000000000, -0.0006941000000000, 0.0001243100000000 ] - [ 0.0000000000000000, -0.0000796300000000, -0.0001253600000000 ] - [ 0.0000000000000000, 0.0000383700000000, 0.0001256900000000 ] - [ -0.0000758800000000, 0.0000275000000000, -0.0000997500000000 ] - [ 0.0000758800000000, 0.0000275000000000, -0.0000997500000000 ] - [ -0.0004103100000000, 0.0000277400000000, 0.0000987900000000 ] - [ 0.0004103100000000, 0.0000277400000000, 0.0000987900000000 ] - [ 0.0005330600000000, -0.0001347200000000, -0.0003888400000000 ] - [ -0.0005330600000000, -0.0001347200000000, -0.0003888400000000 ] - [ -0.0010172000000000, -0.0001411100000000, 0.0003898300000000 ] - [ 0.0010172000000000, -0.0001411100000000, 0.0003898300000000 ] - [ 0.0000011800000000, -0.0019262200000000, 0.0000019000000000 ] - [ -0.0000011800000000, -0.0019262200000000, 0.0000019000000000 ] - [ 0.0000004100000000, 0.0006411700000000, 0.0000124100000000 ] - [ -0.0000004100000000, 0.0006411700000000, 0.0000124100000000 ] - [ -0.0012137800000000, -0.0008605500000000, -0.0014463200000000 ] - [ -0.0003161500000000, -0.0000860000000000, -0.0004102900000000 ] - [ 0.0012137800000000, -0.0008605500000000, -0.0014463200000000 ] - [ -0.0003165700000000, 0.0001849800000000, 0.0004102700000000 ] - [ 0.0003161500000000, -0.0000860000000000, -0.0004102900000000 ] - [ 0.0008243800000000, 0.0014678300000000, -0.0076364800000000 ] - [ -0.0003648300000000, 0.0010479700000000, 0.0068880900000000 ] - [ 0.0003165700000000, 0.0001849800000000, 0.0004102700000000 ] - [ -0.0008243800000000, 0.0014678300000000, -0.0076364800000000 ] - [ 0.0003648300000000, 0.0010479700000000, 0.0068880900000000 ] - [ 0.0007426600000000, -0.0012810800000000, 0.0021590500000000 ] - [ -0.0007426600000000, -0.0012810800000000, 0.0021590500000000 ] - [ -0.0004634100000000, 0.0004917800000000, 0.0003200500000000 ] - [ -0.0008983200000000, 0.0283697400000000, -0.0001228400000000 ] - [ 0.0004634100000000, 0.0004917800000000, 0.0003200500000000 ] - [ -0.0003245800000000, -0.0048136900000000, 0.0004166700000000 ] - [ 0.0008983200000000, 0.0283697400000000, -0.0001228400000000 ] - [ 0.0001645600000000, 0.0001423000000000, -0.0003706400000000 ] - [ 0.0002958300000000, -0.0002795100000000, -0.0003553300000000 ] - [ 0.0003245800000000, -0.0048136900000000, 0.0004166700000000 ] - [ -0.0001645600000000, 0.0001423000000000, -0.0003706400000000 ] - [ -0.0002958300000000, -0.0002795100000000, -0.0003553300000000 ] - [ 0.0000029000000000, 0.0000733700000000, 0.0004062000000000 ] - [ -0.0000029000000000, 0.0000733700000000, 0.0004062000000000 ] - [ -0.0004259000000000, 0.0011218900000000, 0.0015885300000000 ] - [ 0.0010299300000000, 0.0025104000000000, 0.0001201600000000 ] - [ 0.0001182100000000, -0.0000352500000000, -0.0002962800000000 ] - [ -0.0005137100000000, -0.0001273700000000, 0.0000444400000000 ] - [ -0.0007902400000000, 0.0019562400000000, -0.0010990200000000 ] - [ 0.0004259000000000, 0.0011218900000000, 0.0015885300000000 ] - [ 0.0000000000000000, 0.0004930300000000, 0.0011561800000000 ] - [ -0.0009687600000000, 0.0014661000000000, -0.0014558400000000 ] - [ -0.0005136600000000, 0.0001905500000000, -0.0000452000000000 ] - [ 0.0007902400000000, 0.0019562400000000, -0.0010990200000000 ] - [ 0.0000000000000000, -0.0001509700000000, -0.0021514600000000 ] - [ 0.0005136600000000, 0.0001905500000000, -0.0000452000000000 ] - [ 0.0009687600000000, 0.0014661000000000, -0.0014558400000000 ] - [ 0.0110613200000000, 0.0022553900000000, 0.0141485600000000 ] - [ -0.0001182100000000, -0.0000352500000000, -0.0002962800000000 ] - [ -0.0002034200000000, -0.0033779300000000, 0.0001858800000000 ] - [ -0.0113775300000000, 0.0017233000000000, -0.0132591500000000 ] - [ -0.0002057800000000, 0.0011237700000000, -0.0001836500000000 ] - [ 0.0006682600000000, -0.0003838000000000, 0.0001664000000000 ] - [ 0.0000000000000000, -0.0001009000000000, 0.0012272400000000 ] - [ 0.0000000000000000, -0.0556801200000000, -0.0003757600000000 ] - [ -0.0006682600000000, -0.0003838000000000, 0.0001664000000000 ] - [ 0.0000000000000000, 0.0004429500000000, -0.0002205000000000 ] - [ 0.0000000000000000, 0.0019852300000000, 0.0000042800000000 ] - [ 0.0113775300000000, 0.0017233000000000, -0.0132591500000000 ] - [ -0.0010299300000000, 0.0025104000000000, 0.0001201600000000 ] - [ -0.0110613200000000, 0.0022553900000000, 0.0141485600000000 ] - [ 0.0002034200000000, -0.0033779300000000, 0.0001858800000000 ] - [ 0.0005137100000000, -0.0001273700000000, 0.0000444400000000 ] - [ 0.0002057800000000, 0.0011237700000000, -0.0001836500000000 ] - [ 0.0002618100000000, -0.0002907500000000, 0.0000790000000000 ] - [ 0.0001714800000000, 0.0001617400000000, -0.0004275000000000 ] - [ -0.0000130800000000, 0.0003443100000000, -0.0001329700000000 ] - [ -0.0005173400000000, 0.0013391800000000, 0.0000411900000000 ] - [ 0.0000549100000000, -0.0003836800000000, -0.0005569600000000 ] - [ -0.0002618100000000, -0.0002907500000000, 0.0000790000000000 ] - [ 0.0000000000000000, -0.0000585100000000, 0.0004587300000000 ] - [ -0.0002823200000000, 0.0000555200000000, 0.0000502200000000 ] - [ -0.0005088600000000, -0.0058435500000000, -0.0000459100000000 ] - [ -0.0000549100000000, -0.0003836800000000, -0.0005569600000000 ] - [ 0.0000000000000000, -0.0000087100000000, -0.0004659300000000 ] - [ 0.0005088600000000, -0.0058435500000000, -0.0000459100000000 ] - [ 0.0002823200000000, 0.0000555200000000, 0.0000502200000000 ] - [ -0.0000873000000000, 0.0003125300000000, 0.0004991200000000 ] - [ 0.0000130800000000, 0.0003443100000000, -0.0001329700000000 ] - [ -0.0002042300000000, 0.0000755400000000, 0.0001861400000000 ] - [ -0.0001387800000000, -0.0002324500000000, 0.0004845400000000 ] - [ -0.0002051400000000, -0.0002505100000000, -0.0001855100000000 ] - [ 0.0005292200000000, 0.0000024800000000, 0.0000022200000000 ] - [ 0.0000000000000000, 0.0000394300000000, -0.0004625600000000 ] - [ 0.0000000000000000, 0.0000226100000000, -0.0000064200000000 ] - [ -0.0005292200000000, 0.0000024800000000, 0.0000022200000000 ] - [ 0.0000000000000000, -0.0001072500000000, 0.0004707000000000 ] - [ 0.0000000000000000, -0.0000472500000000, 0.0000066300000000 ] - [ 0.0001387800000000, -0.0002324500000000, 0.0004845400000000 ] - [ -0.0001714800000000, 0.0001617400000000, -0.0004275000000000 ] - [ 0.0000873000000000, 0.0003125300000000, 0.0004991200000000 ] - [ 0.0002042300000000, 0.0000755400000000, 0.0001861400000000 ] - [ 0.0005173400000000, 0.0013391800000000, 0.0000411900000000 ] - [ 0.0002051400000000, -0.0002505100000000, -0.0001855100000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0029393400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009564800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001362900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003801900000000 ] - [ -0.0001307800000000, 0.0000492000000000, -0.0007353000000000 ] - [ 0.0001307800000000, 0.0000492000000000, -0.0007353000000000 ] - [ -0.0001307800000000, -0.0000492000000000, -0.0007353000000000 ] - [ 0.0001307800000000, -0.0000492000000000, -0.0007353000000000 ] - [ -0.0005179700000000, -0.0003034100000000, 0.0013264700000000 ] - [ 0.0005179700000000, -0.0003034100000000, 0.0013264700000000 ] - [ -0.0005179700000000, 0.0003034100000000, 0.0013264700000000 ] - [ 0.0005179700000000, 0.0003034100000000, 0.0013264700000000 ] - [ -0.0016809700000000, 0.0000000000000000, 0.0005026900000000 ] - [ 0.0016809700000000, 0.0000000000000000, 0.0005026900000000 ] - [ -0.0029262500000000, 0.0000000000000000, -0.0024533900000000 ] - [ 0.0029262500000000, 0.0000000000000000, -0.0024533900000000 ] - [ -0.0017564300000000, -0.0015133400000000, -0.0008415100000000 ] - [ -0.0005695800000000, 0.0000000000000000, -0.0013501200000000 ] - [ 0.0017564300000000, -0.0015133400000000, -0.0008415100000000 ] - [ -0.0001440000000000, 0.0000000000000000, -0.0005354200000000 ] - [ 0.0005695800000000, 0.0000000000000000, -0.0013501200000000 ] - [ 0.0003834200000000, -0.0012620300000000, -0.0073504300000000 ] - [ 0.0003834200000000, 0.0012620300000000, -0.0073504300000000 ] - [ 0.0001440000000000, 0.0000000000000000, -0.0005354200000000 ] - [ -0.0003834200000000, -0.0012620300000000, -0.0073504300000000 ] - [ -0.0003834200000000, 0.0012620300000000, -0.0073504300000000 ] - [ -0.0017564300000000, 0.0015133400000000, -0.0008415100000000 ] - [ 0.0017564300000000, 0.0015133400000000, -0.0008415100000000 ] - [ -0.0007071700000000, 0.0004639100000000, 0.0001909600000000 ] - [ -0.0753588000000000, 0.0000000000000000, 0.0655063000000000 ] - [ 0.0007071700000000, 0.0004639100000000, 0.0001909600000000 ] - [ -0.0007454300000000, 0.0000000000000000, 0.0047338800000000 ] - [ 0.0753588000000000, 0.0000000000000000, 0.0655063000000000 ] - [ -0.0001459100000000, -0.0001738600000000, -0.0006919900000000 ] - [ -0.0001459100000000, 0.0001738600000000, -0.0006919900000000 ] - [ 0.0007454300000000, 0.0000000000000000, 0.0047338800000000 ] - [ 0.0001459100000000, -0.0001738600000000, -0.0006919900000000 ] - [ 0.0001459100000000, 0.0001738600000000, -0.0006919900000000 ] - [ -0.0007071700000000, -0.0004639100000000, 0.0001909600000000 ] - [ 0.0007071700000000, -0.0004639100000000, 0.0001909600000000 ] - [ -0.0006859300000000, 0.0012879000000000, 0.0017286200000000 ] - [ 0.0008220300000000, 0.0016423500000000, -0.0016435100000000 ] - [ -0.0011021600000000, -0.0002168500000000, 0.0008868100000000 ] - [ -0.0000089700000000, 0.0000000000000000, 0.0010838900000000 ] - [ 0.0008220300000000, -0.0016423500000000, -0.0016435100000000 ] - [ 0.0006859300000000, 0.0012879000000000, 0.0017286200000000 ] - [ 0.0000000000000000, 0.0011285900000000, 0.0014704800000000 ] - [ 0.0006859300000000, -0.0012879000000000, 0.0017286200000000 ] - [ -0.0010274200000000, 0.0000000000000000, 0.0006855900000000 ] - [ -0.0008220300000000, -0.0016423500000000, -0.0016435100000000 ] - [ 0.0000000000000000, -0.0006752200000000, 0.0011689900000000 ] - [ 0.0010274200000000, 0.0000000000000000, 0.0006855900000000 ] - [ -0.0006859300000000, -0.0012879000000000, 0.0017286200000000 ] - [ 0.0115823200000000, 0.0063647000000000, 0.0063547900000000 ] - [ 0.0011021600000000, -0.0002168500000000, 0.0008868100000000 ] - [ 0.0001214000000000, 0.0000000000000000, 0.0021838600000000 ] - [ 0.0115823200000000, -0.0063647000000000, 0.0063547900000000 ] - [ -0.0005986900000000, 0.0000000000000000, 0.0003395500000000 ] - [ 0.0011021600000000, 0.0002168500000000, 0.0008868100000000 ] - [ 0.0000000000000000, 0.0006752200000000, 0.0011689900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1299350000000000 ] - [ -0.0011021600000000, 0.0002168500000000, 0.0008868100000000 ] - [ 0.0000000000000000, -0.0011285900000000, 0.0014704800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015498400000000 ] - [ -0.0115823200000000, -0.0063647000000000, 0.0063547900000000 ] - [ -0.0008220300000000, 0.0016423500000000, -0.0016435100000000 ] - [ -0.0115823200000000, 0.0063647000000000, 0.0063547900000000 ] - [ -0.0001214000000000, 0.0000000000000000, 0.0021838600000000 ] - [ 0.0000089700000000, 0.0000000000000000, 0.0010838900000000 ] - [ 0.0005986900000000, 0.0000000000000000, 0.0003395500000000 ] - [ -0.0003677300000000, 0.0003736600000000, 0.0000675800000000 ] - [ 0.0002195100000000, 0.0000880600000000, -0.0000870500000000 ] - [ -0.0008405900000000, 0.0003330900000000, -0.0002687100000000 ] - [ -0.0008479400000000, 0.0000000000000000, -0.0017578900000000 ] - [ 0.0002195100000000, -0.0000880600000000, -0.0000870500000000 ] - [ 0.0003677300000000, 0.0003736600000000, 0.0000675800000000 ] - [ 0.0000000000000000, -0.0000338700000000, 0.0004574900000000 ] - [ 0.0003677300000000, -0.0003736600000000, 0.0000675800000000 ] - [ -0.0120141900000000, 0.0000000000000000, -0.0041550700000000 ] - [ -0.0002195100000000, -0.0000880600000000, -0.0000870500000000 ] - [ 0.0000000000000000, -0.0001262500000000, -0.0004315200000000 ] - [ 0.0120141900000000, 0.0000000000000000, -0.0041550700000000 ] - [ -0.0003677300000000, -0.0003736600000000, 0.0000675800000000 ] - [ -0.0000521000000000, 0.0004859700000000, 0.0009866500000000 ] - [ 0.0008405900000000, 0.0003330900000000, -0.0002687100000000 ] - [ -0.0000982600000000, 0.0000000000000000, 0.0001685800000000 ] - [ -0.0000521000000000, -0.0004859700000000, 0.0009866500000000 ] - [ -0.0003681900000000, 0.0000000000000000, -0.0003368200000000 ] - [ 0.0008405900000000, -0.0003330900000000, -0.0002687100000000 ] - [ 0.0000000000000000, 0.0001262500000000, -0.0004315200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002939600000000 ] - [ -0.0008405900000000, -0.0003330900000000, -0.0002687100000000 ] - [ 0.0000000000000000, 0.0000338700000000, 0.0004574900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003145600000000 ] - [ 0.0000521000000000, -0.0004859700000000, 0.0009866500000000 ] - [ -0.0002195100000000, 0.0000880600000000, -0.0000870500000000 ] - [ 0.0000521000000000, 0.0004859700000000, 0.0009866500000000 ] - [ 0.0000982600000000, 0.0000000000000000, 0.0001685800000000 ] - [ 0.0008479400000000, 0.0000000000000000, -0.0017578900000000 ] - [ 0.0003681900000000, 0.0000000000000000, -0.0003368200000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0026775200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012050400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003875600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001307700000000 ] - [ -0.0003551400000000, -0.0000492500000000, 0.0007350300000000 ] - [ 0.0003551400000000, -0.0000492500000000, 0.0007350300000000 ] - [ -0.0003551400000000, 0.0000492500000000, 0.0007350300000000 ] - [ 0.0003551400000000, 0.0000492500000000, 0.0007350300000000 ] - [ 0.0000336100000000, 0.0003088400000000, -0.0013308400000000 ] - [ -0.0000336100000000, 0.0003088400000000, -0.0013308400000000 ] - [ 0.0000336100000000, -0.0003088400000000, -0.0013308400000000 ] - [ -0.0000336100000000, -0.0003088400000000, -0.0013308400000000 ] - [ 0.0016851900000000, 0.0000000000000000, -0.0005025600000000 ] - [ -0.0016851900000000, 0.0000000000000000, -0.0005025600000000 ] - [ 0.0029288600000000, 0.0000000000000000, 0.0024824700000000 ] - [ -0.0029288600000000, 0.0000000000000000, 0.0024824700000000 ] - [ 0.0012845100000000, 0.0019246400000000, 0.0015715200000000 ] - [ -0.0000617100000000, 0.0000000000000000, 0.0005314800000000 ] - [ -0.0012845100000000, 0.0019246400000000, 0.0015715200000000 ] - [ -0.0004885500000000, 0.0000000000000000, 0.0013559400000000 ] - [ 0.0000617100000000, 0.0000000000000000, 0.0005314800000000 ] - [ 0.0000824600000000, 0.0016845800000000, 0.0066293800000000 ] - [ 0.0000824600000000, -0.0016845800000000, 0.0066293800000000 ] - [ 0.0004885500000000, 0.0000000000000000, 0.0013559400000000 ] - [ -0.0000824600000000, 0.0016845800000000, 0.0066293800000000 ] - [ -0.0000824600000000, -0.0016845800000000, 0.0066293800000000 ] - [ 0.0012845100000000, -0.0019246400000000, 0.0015715200000000 ] - [ -0.0012845100000000, -0.0019246400000000, 0.0015715200000000 ] - [ 0.0002481800000000, -0.0000463800000000, 0.0005356200000000 ] - [ 0.0762334200000000, 0.0000000000000000, -0.0658905300000000 ] - [ -0.0002481800000000, -0.0000463800000000, 0.0005356200000000 ] - [ 0.0001167800000000, 0.0000000000000000, -0.0039160000000000 ] - [ -0.0762334200000000, 0.0000000000000000, -0.0658905300000000 ] - [ 0.0006068700000000, 0.0005953000000000, -0.0000344800000000 ] - [ 0.0006068700000000, -0.0005953000000000, -0.0000344800000000 ] - [ -0.0001167800000000, 0.0000000000000000, -0.0039160000000000 ] - [ -0.0006068700000000, 0.0005953000000000, -0.0000344800000000 ] - [ -0.0006068700000000, -0.0005953000000000, -0.0000344800000000 ] - [ 0.0002481800000000, 0.0000463800000000, 0.0005356200000000 ] - [ -0.0002481800000000, 0.0000463800000000, 0.0005356200000000 ] - [ 0.0012315400000000, -0.0016337500000000, -0.0016005300000000 ] - [ -0.0005933000000000, -0.0010960800000000, 0.0006530100000000 ] - [ 0.0005517500000000, 0.0005609900000000, -0.0010207700000000 ] - [ -0.0010181700000000, 0.0000000000000000, -0.0009965600000000 ] - [ -0.0005933000000000, 0.0010960800000000, 0.0006530100000000 ] - [ -0.0012315400000000, -0.0016337500000000, -0.0016005300000000 ] - [ 0.0000000000000000, -0.0010720700000000, -0.0005385800000000 ] - [ -0.0012315400000000, 0.0016337500000000, -0.0016005300000000 ] - [ 0.0000015700000000, 0.0000000000000000, -0.0007785200000000 ] - [ 0.0005933000000000, 0.0010960800000000, 0.0006530100000000 ] - [ 0.0000000000000000, 0.0006275500000000, -0.0020971500000000 ] - [ -0.0000015700000000, 0.0000000000000000, -0.0007785200000000 ] - [ 0.0012315400000000, 0.0016337500000000, -0.0016005300000000 ] - [ -0.0119644400000000, -0.0059329000000000, -0.0054015800000000 ] - [ -0.0005517500000000, 0.0005609900000000, -0.0010207700000000 ] - [ -0.0005313800000000, 0.0000000000000000, -0.0018101200000000 ] - [ -0.0119644400000000, 0.0059329000000000, -0.0054015800000000 ] - [ 0.0001877600000000, 0.0000000000000000, -0.0007151900000000 ] - [ -0.0005517500000000, -0.0005609900000000, -0.0010207700000000 ] - [ 0.0000000000000000, -0.0006275500000000, -0.0020971500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1291858400000000 ] - [ 0.0005517500000000, -0.0005609900000000, -0.0010207700000000 ] - [ 0.0000000000000000, 0.0010720700000000, -0.0005385800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015626500000000 ] - [ 0.0119644400000000, 0.0059329000000000, -0.0054015800000000 ] - [ 0.0005933000000000, -0.0010960800000000, 0.0006530100000000 ] - [ 0.0119644400000000, -0.0059329000000000, -0.0054015800000000 ] - [ 0.0005313800000000, 0.0000000000000000, -0.0018101200000000 ] - [ 0.0010181700000000, 0.0000000000000000, -0.0009965600000000 ] - [ -0.0001877600000000, 0.0000000000000000, -0.0007151900000000 ] - [ 0.0009133800000000, -0.0007197100000000, 0.0000610700000000 ] - [ 0.0000069200000000, 0.0004575600000000, -0.0008994900000000 ] - [ 0.0002990400000000, 0.0000087800000000, 0.0001371200000000 ] - [ -0.0001791300000000, 0.0000000000000000, 0.0018500400000000 ] - [ 0.0000069200000000, -0.0004575600000000, -0.0008994900000000 ] - [ -0.0009133800000000, -0.0007197100000000, 0.0000610700000000 ] - [ 0.0000000000000000, 0.0000823400000000, 0.0004718400000000 ] - [ -0.0009133800000000, 0.0007197100000000, 0.0000610700000000 ] - [ 0.0109785000000000, 0.0000000000000000, 0.0040712100000000 ] - [ -0.0000069200000000, -0.0004575600000000, -0.0008994900000000 ] - [ 0.0000000000000000, 0.0000782000000000, -0.0004984100000000 ] - [ -0.0109785000000000, 0.0000000000000000, 0.0040712100000000 ] - [ 0.0009133800000000, 0.0007197100000000, 0.0000610700000000 ] - [ -0.0001743900000000, 0.0000587600000000, -0.0000041600000000 ] - [ -0.0002990400000000, 0.0000087800000000, 0.0001371200000000 ] - [ -0.0003101100000000, 0.0000000000000000, 0.0002036400000000 ] - [ -0.0001743900000000, -0.0000587600000000, -0.0000041600000000 ] - [ -0.0000408000000000, 0.0000000000000000, -0.0000357900000000 ] - [ -0.0002990400000000, -0.0000087800000000, 0.0001371200000000 ] - [ 0.0000000000000000, -0.0000782000000000, -0.0004984100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003093300000000 ] - [ 0.0002990400000000, -0.0000087800000000, 0.0001371200000000 ] - [ 0.0000000000000000, -0.0000823400000000, 0.0004718400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003014800000000 ] - [ 0.0001743900000000, -0.0000587600000000, -0.0000041600000000 ] - [ -0.0000069200000000, 0.0004575600000000, -0.0008994900000000 ] - [ 0.0001743900000000, 0.0000587600000000, -0.0000041600000000 ] - [ 0.0003101100000000, 0.0000000000000000, 0.0002036400000000 ] - [ 0.0001791300000000, 0.0000000000000000, 0.0018500400000000 ] - [ 0.0000408000000000, 0.0000000000000000, -0.0000357900000000 ]