# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.28709197
_cell_length_b   18.86062761
_cell_length_c   46.27397196
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.27214684
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni486 H162'
_cell_volume   12708.3442044
_cell_formula_units_Z   162
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni1  1  0.986995  0.511608  0.304097  1
  Ni  Ni2  1  0.326469  0.525248  0.317575  1
  Ni  Ni3  1  0.649618  0.503719  0.290489  1
  Ni  Ni4  1  0.659802  0.191915  0.317575  1
  Ni  Ni5  1  0.982951  0.170386  0.290489  1
  Ni  Ni6  1  0.993135  0.858581  0.317575  1
  Ni  Ni7  1  0.320328  0.178274  0.304097  1
  Ni  Ni8  1  0.653662  0.844941  0.304097  1
  Ni  Ni9  1  0.316285  0.837053  0.290489  1
  Ni  Ni10  1  0.008929  0.633232  0.288484  1
  Ni  Ni11  1  0.361772  0.641923  0.305597  1
  Ni  Ni12  1  0.716414  0.647172  0.319891  1
  Ni  Ni13  1  0.695106  0.308589  0.305597  1
  Ni  Ni14  1  0.049747  0.313839  0.319891  1
  Ni  Ni15  1  0.028439  0.975256  0.305597  1
  Ni  Ni16  1  0.342263  0.299898  0.288484  1
  Ni  Ni17  1  0.675596  0.966565  0.288484  1
  Ni  Ni18  1  0.383080  0.980506  0.319891  1
  Ni  Ni19  1  0.133666  0.515790  0.290000  1
  Ni  Ni20  1  0.483729  0.518967  0.304435  1
  Ni  Ni21  1  0.826112  0.521750  0.318120  1
  Ni  Ni22  1  0.817062  0.185634  0.304435  1
  Ni  Ni23  1  0.159445  0.188417  0.318120  1
  Ni  Ni24  1  0.150396  0.852301  0.304435  1
  Ni  Ni25  1  0.466999  0.182457  0.290000  1
  Ni  Ni26  1  0.800333  0.849124  0.290000  1
  Ni  Ni27  1  0.492779  0.855083  0.318120  1
  Ni  Ni28  1  0.240080  0.737478  0.282440  1
  Ni  Ni29  1  0.595784  0.739089  0.294503  1
  Ni  Ni30  1  0.925813  0.751348  0.308357  1
  Ni  Ni31  1  0.929117  0.405756  0.294503  1
  Ni  Ni32  1  0.259146  0.418015  0.308357  1
  Ni  Ni33  1  0.262450  0.072423  0.294503  1
  Ni  Ni34  1  0.573414  0.404145  0.282440  1
  Ni  Ni35  1  0.906747  0.070812  0.282440  1
  Ni  Ni36  1  0.592479  0.084681  0.308357  1
  Ni  Ni37  1  0.195019  0.620520  0.296567  1
  Ni  Ni38  1  0.554619  0.621377  0.310888  1
  Ni  Ni39  1  0.856594  0.599881  0.280912  1
  Ni  Ni40  1  0.887953  0.288044  0.310888  1
  Ni  Ni41  1  0.189927  0.266548  0.280912  1
  Ni  Ni42  1  0.221286  0.954710  0.310888  1
  Ni  Ni43  1  0.528352  0.287187  0.296567  1
  Ni  Ni44  1  0.861685  0.953854  0.296567  1
  Ni  Ni45  1  0.523261  0.933214  0.280912  1
  Ni  Ni46  1  0.085791  0.741831  0.296333  1
  Ni  Ni47  1  0.442591  0.742845  0.312636  1
  Ni  Ni48  1  0.772059  0.727358  0.286060  1
  Ni  Ni49  1  0.775925  0.409511  0.312636  1
  Ni  Ni50  1  0.105392  0.394025  0.286060  1
  Ni  Ni51  1  0.109258  0.076178  0.312636  1
  Ni  Ni52  1  0.419125  0.408498  0.296333  1
  Ni  Ni53  1  0.752458  0.075164  0.296333  1
  Ni  Ni54  1  0.438726  0.060692  0.286060  1
  Ni  Ni55  1  0.022459  0.544617  0.353420  1
  Ni  Ni56  1  0.369346  0.551514  0.368774  1
  Ni  Ni57  1  0.680783  0.531775  0.338747  1
  Ni  Ni58  1  0.702680  0.218181  0.368774  1
  Ni  Ni59  1  0.014117  0.198442  0.338747  1
  Ni  Ni60  1  0.036013  0.884847  0.368774  1
  Ni  Ni61  1  0.355792  0.211284  0.353420  1
  Ni  Ni62  1  0.689126  0.877950  0.353420  1
  Ni  Ni63  1  0.347450  0.865108  0.338747  1
  Ni  Ni64  1  0.057989  0.661548  0.336104  1
  Ni  Ni65  1  0.409627  0.668407  0.354407  1
  Ni  Ni66  1  0.753125  0.677640  0.371237  1
  Ni  Ni67  1  0.742960  0.335074  0.354407  1
  Ni  Ni68  1  0.086458  0.344307  0.371237  1
  Ni  Ni69  1  0.076294  1.001740  0.354407  1
  Ni  Ni70  1  0.391322  0.328215  0.336104  1
  Ni  Ni71  1  0.724655  0.994881  0.336104  1
  Ni  Ni72  1  0.419791  0.010973  0.371237  1
  Ni  Ni73  1  0.173192  0.539191  0.338067  1
  Ni  Ni74  1  0.521585  0.545572  0.353465  1
  Ni  Ni75  1  0.865054  0.553587  0.368232  1
  Ni  Ni76  1  0.854918  0.212239  0.353465  1
  Ni  Ni77  1  0.198387  0.220254  0.368232  1
  Ni  Ni78  1  0.188251  0.878906  0.353465  1
  Ni  Ni79  1  0.506526  0.205858  0.338067  1
  Ni  Ni80  1  0.839859  0.872525  0.338067  1
  Ni  Ni81  1  0.531721  0.886920  0.368232  1
  Ni  Ni82  1  0.282039  0.760836  0.330179  1
  Ni  Ni83  1  0.626396  0.767769  0.344276  1
  Ni  Ni84  1  0.970146  0.779733  0.359584  1
  Ni  Ni85  1  0.959729  0.434436  0.344276  1
  Ni  Ni86  1  0.303479  0.446400  0.359584  1
  Ni  Ni87  1  0.293063  0.101103  0.344276  1
  Ni  Ni88  1  0.615372  0.427503  0.330179  1
  Ni  Ni89  1  0.948705  0.094169  0.330179  1
  Ni  Ni90  1  0.636812  0.113066  0.359584  1
  Ni  Ni91  1  0.240613  0.644879  0.344800  1
  Ni  Ni92  1  0.590894  0.650723  0.360938  1
  Ni  Ni93  1  0.892480  0.635039  0.327316  1
  Ni  Ni94  1  0.924227  0.317390  0.360938  1
  Ni  Ni95  1  0.225814  0.301706  0.327316  1
  Ni  Ni96  1  0.257560  0.984057  0.360938  1
  Ni  Ni97  1  0.573946  0.311546  0.344800  1
  Ni  Ni98  1  0.907279  0.978212  0.344800  1
  Ni  Ni99  1  0.559147  0.968372  0.327316  1
  Ni  Ni100  1  0.128758  0.767984  0.344500  1
  Ni  Ni101  1  0.478150  0.773757  0.362951  1
  Ni  Ni102  1  0.785758  0.760099  0.333892  1
  Ni  Ni103  1  0.811483  0.440424  0.362951  1
  Ni  Ni104  1  0.119091  0.426766  0.333892  1
  Ni  Ni105  1  0.144816  0.107090  0.362951  1
  Ni  Ni106  1  0.462092  0.434651  0.344500  1
  Ni  Ni107  1  0.795425  0.101317  0.344500  1
  Ni  Ni108  1  0.452425  0.093432  0.333892  1
  Ni  Ni109  1  0.062754  0.570911  0.404596  1
  Ni  Ni110  1  0.408803  0.578230  0.420726  1
  Ni  Ni111  1  0.718553  0.559872  0.388534  1
  Ni  Ni112  1  0.742137  0.244897  0.420726  1
  Ni  Ni113  1  0.051886  0.226538  0.388534  1
  Ni  Ni114  1  0.075470  0.911564  0.420726  1
  Ni  Ni115  1  0.396087  0.237578  0.404596  1
  Ni  Ni116  1  0.729420  0.904245  0.404596  1
  Ni  Ni117  1  0.385219  0.893205  0.388534  1
  Ni  Ni118  1  0.097923  0.689290  0.386712  1
  Ni  Ni119  1  0.446543  0.696968  0.405278  1
  Ni  Ni120  1  0.790681  0.707101  0.422118  1
  Ni  Ni121  1  0.779877  0.363635  0.405278  1
  Ni  Ni122  1  0.124014  0.373767  0.422118  1
  Ni  Ni123  1  0.113210  0.030302  0.405278  1
  Ni  Ni124  1  0.431257  0.355957  0.386712  1
  Ni  Ni125  1  0.764590  0.022623  0.386712  1
  Ni  Ni126  1  0.457347  0.040434  0.422118  1
  Ni  Ni127  1  0.212461  0.566062  0.387400  1
  Ni  Ni128  1  0.558947  0.573318  0.403699  1
  Ni  Ni129  1  0.903066  0.582796  0.419226  1
  Ni  Ni130  1  0.892280  0.239985  0.403699  1
  Ni  Ni131  1  0.236400  0.249462  0.419226  1
  Ni  Ni132  1  0.225613  0.906652  0.403699  1
  Ni  Ni133  1  0.545794  0.232728  0.387400  1
  Ni  Ni134  1  0.879128  0.899395  0.387400  1
  Ni  Ni135  1  0.569733  0.916129  0.419226  1
  Ni  Ni136  1  0.319755  0.787815  0.379495  1
  Ni  Ni137  1  0.664413  0.798040  0.394414  1
  Ni  Ni138  1  0.008883  0.807426  0.410965  1
  Ni  Ni139  1  0.997746  0.464707  0.394414  1
  Ni  Ni140  1  0.342217  0.474093  0.410965  1
  Ni  Ni141  1  0.331079  0.131374  0.394414  1
  Ni  Ni142  1  0.653089  0.454482  0.379495  1
  Ni  Ni143  1  0.986422  0.121148  0.379495  1
  Ni  Ni144  1  0.675550  0.140759  0.410965  1
  Ni  Ni145  1  0.283271  0.669994  0.394869  1
  Ni  Ni146  1  0.629099  0.678797  0.411903  1
  Ni  Ni147  1  0.934270  0.661588  0.377545  1
  Ni  Ni148  1  0.962432  0.345463  0.411903  1
  Ni  Ni149  1  0.267604  0.328254  0.377545  1
  Ni  Ni150  1  0.295766  0.012130  0.411903  1
  Ni  Ni151  1  0.616605  0.336661  0.394869  1
  Ni  Ni152  1  0.949938  1.003327  0.394869  1
  Ni  Ni153  1  0.600937  0.994921  0.377545  1
  Ni  Ni154  1  0.168084  0.794303  0.395669  1
  Ni  Ni155  1  0.516580  0.802620  0.413575  1
  Ni  Ni156  1  0.825193  0.786675  0.382029  1
  Ni  Ni157  1  0.849913  0.469287  0.413575  1
  Ni  Ni158  1  0.158526  0.453341  0.382029  1
  Ni  Ni159  1  0.183247  0.135954  0.413575  1
  Ni  Ni160  1  0.501418  0.460970  0.395669  1
  Ni  Ni161  1  0.834751  0.127636  0.395669  1
  Ni  Ni162  1  0.491859  0.120008  0.382029  1
  Ni  Ni163  1  0.101182  0.597916  0.455464  1
  Ni  Ni164  1  0.446857  0.606204  0.471768  1
  Ni  Ni165  1  0.756130  0.588053  0.439018  1
  Ni  Ni166  1  0.780190  0.272871  0.471768  1
  Ni  Ni167  1  0.089463  0.254720  0.439018  1
  Ni  Ni168  1  0.113523  0.939537  0.471768  1
  Ni  Ni169  1  0.434515  0.264583  0.455464  1
  Ni  Ni170  1  0.767848  0.931249  0.455464  1
  Ni  Ni171  1  0.422796  0.921387  0.439018  1
  Ni  Ni172  1  0.136209  0.716491  0.437922  1
  Ni  Ni173  1  0.483597  0.725283  0.455925  1
  Ni  Ni174  1  0.828524  0.735074  0.472821  1
  Ni  Ni175  1  0.816930  0.391950  0.455925  1
  Ni  Ni176  1  0.161857  0.401740  0.472821  1
  Ni  Ni177  1  0.150263  0.058616  0.455925  1
  Ni  Ni178  1  0.469543  0.383158  0.437922  1
  Ni  Ni179  1  0.802876  0.049824  0.437922  1
  Ni  Ni180  1  0.495191  0.068407  0.472821  1
  Ni  Ni181  1  0.250009  0.592910  0.437476  1
  Ni  Ni182  1  0.596303  0.601313  0.454235  1
  Ni  Ni183  1  0.940927  0.610758  0.470064  1
  Ni  Ni184  1  0.929636  0.267979  0.454235  1
  Ni  Ni185  1  0.274260  0.277425  0.470064  1
  Ni  Ni186  1  0.262970  0.934646  0.454235  1
  Ni  Ni187  1  0.583342  0.259577  0.437476  1
  Ni  Ni188  1  0.916675  0.926244  0.437476  1
  Ni  Ni189  1  0.607594  0.944092  0.470064  1
  Ni  Ni190  1  0.357145  0.816166  0.429610  1
  Ni  Ni191  1  0.701527  0.826052  0.445373  1
  Ni  Ni192  1  0.047187  0.834792  0.462097  1
  Ni  Ni193  1  0.034861  0.492719  0.445373  1
  Ni  Ni194  1  0.380520  0.501459  0.462097  1
  Ni  Ni195  1  0.368194  0.159386  0.445373  1
  Ni  Ni196  1  0.690478  0.482833  0.429610  1
  Ni  Ni197  1  0.023812  0.149500  0.429610  1
  Ni  Ni198  1  0.713853  0.168125  0.462097  1
  Ni  Ni199  1  0.320699  0.697448  0.445460  1
  Ni  Ni200  1  0.666570  0.706915  0.462716  1
  Ni  Ni201  1  0.973701  0.688822  0.428252  1
  Ni  Ni202  1  0.999903  0.373582  0.462716  1
  Ni  Ni203  1  0.307034  0.355489  0.428252  1
  Ni  Ni204  1  0.333236  0.040248  0.462716  1
  Ni  Ni205  1  0.654032  0.364115  0.445460  1
  Ni  Ni206  1  0.987365  0.030782  0.445460  1
  Ni  Ni207  1  0.640368  0.022156  0.428252  1
  Ni  Ni208  1  0.207030  0.821487  0.446758  1
  Ni  Ni209  1  0.553735  0.830762  0.464258  1
  Ni  Ni210  1  0.862375  0.813351  0.431669  1
  Ni  Ni211  1  0.887068  0.497429  0.464258  1
  Ni  Ni212  1  0.195708  0.480018  0.431669  1
  Ni  Ni213  1  0.220402  0.164096  0.464258  1
  Ni  Ni214  1  0.540363  0.488153  0.446758  1
  Ni  Ni215  1  0.873696  0.154820  0.446758  1
  Ni  Ni216  1  0.529041  0.146685  0.431669  1
  Ni  Ni217  1  0.139262  0.625191  0.506313  1
  Ni  Ni218  1  0.484298  0.634380  0.522490  1
  Ni  Ni219  1  0.793602  0.616153  0.489665  1
  Ni  Ni220  1  0.817631  0.301047  0.522490  1
  Ni  Ni221  1  0.126935  0.282820  0.489665  1
  Ni  Ni222  1  0.150964  0.967713  0.522490  1
  Ni  Ni223  1  0.472595  0.291858  0.506313  1
  Ni  Ni224  1  0.805929  0.958525  0.506313  1
  Ni  Ni225  1  0.460269  0.949487  0.489665  1
  Ni  Ni226  1  0.174316  0.744020  0.488975  1
  Ni  Ni227  1  0.520669  0.753410  0.506544  1
  Ni  Ni228  1  0.866642  0.762635  0.523541  1
  Ni  Ni229  1  0.854002  0.420077  0.506544  1
  Ni  Ni230  1  0.199976  0.429302  0.523541  1
  Ni  Ni231  1  0.187335  0.086744  0.506544  1
  Ni  Ni232  1  0.507649  0.410687  0.488975  1
  Ni  Ni233  1  0.840982  0.077353  0.488975  1
  Ni  Ni234  1  0.533309  0.095968  0.523541  1
  Ni  Ni235  1  0.287546  0.620211  0.487821  1
  Ni  Ni236  1  0.633758  0.629396  0.504939  1
  Ni  Ni237  1  0.978711  0.638228  0.520687  1
  Ni  Ni238  1  0.967092  0.296062  0.504939  1
  Ni  Ni239  1  0.312044  0.304895  0.520687  1
  Ni  Ni240  1  0.300425  0.962729  0.504939  1
  Ni  Ni241  1  0.620879  0.286877  0.487821  1
  Ni  Ni242  1  0.954213  0.953544  0.487821  1
  Ni  Ni243  1  0.645378  0.971561  0.520687  1
  Ni  Ni244  1  0.394298  0.844399  0.480097  1
  Ni  Ni245  1  0.739333  0.853588  0.496274  1
  Ni  Ni246  1  0.084993  0.862626  0.512922  1
  Ni  Ni247  1  0.072666  0.520254  0.496274  1
  Ni  Ni248  1  0.418327  0.529292  0.512922  1
  Ni  Ni249  1  0.406000  0.186921  0.496274  1
  Ni  Ni250  1  0.727631  0.511066  0.480097  1
  Ni  Ni251  1  0.060964  0.177732  0.480097  1
  Ni  Ni252  1  0.751660  0.195959  0.512922  1
  Ni  Ni253  1  0.357927  0.725369  0.496043  1
  Ni  Ni254  1  0.704280  0.734759  0.513612  1
  Ni  Ni255  1  0.011953  0.716144  0.479046  1
  Ni  Ni256  1  0.037613  0.401426  0.513612  1
  Ni  Ni257  1  0.345286  0.382811  0.479046  1
  Ni  Ni258  1  0.370946  0.068093  0.513612  1
  Ni  Ni259  1  0.691260  0.392035  0.496043  1
  Ni  Ni260  1  0.024593  0.058702  0.496043  1
  Ni  Ni261  1  0.678620  0.049477  0.479046  1
  Ni  Ni262  1  0.244837  0.849383  0.497648  1
  Ni  Ni263  1  0.591049  0.858568  0.514766  1
  Ni  Ni264  1  0.899884  0.840551  0.481900  1
  Ni  Ni265  1  0.924382  0.525235  0.514766  1
  Ni  Ni266  1  0.233218  0.507218  0.481900  1
  Ni  Ni267  1  0.257716  0.191902  0.514766  1
  Ni  Ni268  1  0.578170  0.516050  0.497648  1
  Ni  Ni269  1  0.911503  0.182717  0.497648  1
  Ni  Ni270  1  0.566551  0.173885  0.481900  1
  Ni  Ni271  1  0.177068  0.652727  0.557214  1
  Ni  Ni272  1  0.521450  0.662613  0.572977  1
  Ni  Ni273  1  0.831408  0.643987  0.540490  1
  Ni  Ni274  1  0.854784  0.329279  0.572977  1
  Ni  Ni275  1  0.164742  0.310654  0.540490  1
  Ni  Ni276  1  0.188117  0.995946  0.572977  1
  Ni  Ni277  1  0.510401  0.319393  0.557214  1
  Ni  Ni278  1  0.843734  0.986060  0.557214  1
  Ni  Ni279  1  0.498075  0.977321  0.540490  1
  Ni  Ni280  1  0.212025  0.771864  0.539871  1
  Ni  Ni281  1  0.557897  0.781331  0.557127  1
  Ni  Ni282  1  0.904894  0.789957  0.574335  1
  Ni  Ni283  1  0.891230  0.447997  0.557127  1
  Ni  Ni284  1  0.238227  0.456623  0.574335  1
  Ni  Ni285  1  0.224563  0.114664  0.557127  1
  Ni  Ni286  1  0.545359  0.438531  0.539871  1
  Ni  Ni287  1  0.878692  0.105197  0.539871  1
  Ni  Ni288  1  0.571561  0.123290  0.574335  1
  Ni  Ni289  1  0.324860  0.648017  0.538329  1
  Ni  Ni290  1  0.671566  0.657292  0.555829  1
  Ni  Ni291  1  0.016220  0.665428  0.570918  1
  Ni  Ni292  1  0.004899  0.323959  0.555829  1
  Ni  Ni293  1  0.349554  0.332094  0.570918  1
  Ni  Ni294  1  0.338232  0.990626  0.555829  1
  Ni  Ni295  1  0.658194  0.314683  0.538329  1
  Ni  Ni296  1  0.991527  0.981350  0.538329  1
  Ni  Ni297  1  0.682887  0.998761  0.570918  1
  Ni  Ni298  1  0.431738  0.872575  0.530819  1
  Ni  Ni299  1  0.777413  0.880863  0.547123  1
  Ni  Ni300  1  0.122466  0.890726  0.563569  1
  Ni  Ni301  1  0.110747  0.547530  0.547123  1
  Ni  Ni302  1  0.455799  0.557392  0.563569  1
  Ni  Ni303  1  0.444080  0.214196  0.547123  1
  Ni  Ni304  1  0.765072  0.539242  0.530819  1
  Ni  Ni305  1  0.098405  0.205908  0.530819  1
  Ni  Ni306  1  0.789132  0.224059  0.563569  1
  Ni  Ni307  1  0.394999  0.753496  0.546662  1
  Ni  Ni308  1  0.742386  0.762288  0.564665  1
  Ni  Ni309  1  0.050071  0.743705  0.529766  1
  Ni  Ni310  1  0.075719  0.428955  0.564665  1
  Ni  Ni311  1  0.383404  0.410372  0.529766  1
  Ni  Ni312  1  0.409052  0.095621  0.564665  1
  Ni  Ni313  1  0.728332  0.420163  0.546662  1
  Ni  Ni314  1  0.061665  0.086829  0.546662  1
  Ni  Ni315  1  0.716738  0.077039  0.529766  1
  Ni  Ni316  1  0.282292  0.877466  0.548352  1
  Ni  Ni317  1  0.628586  0.885869  0.565111  1
  Ni  Ni318  1  0.937668  0.868021  0.532523  1
  Ni  Ni319  1  0.961920  0.552535  0.565111  1
  Ni  Ni320  1  0.271001  0.534687  0.532523  1
  Ni  Ni321  1  0.295253  0.219202  0.565111  1
  Ni  Ni322  1  0.615626  0.544133  0.548352  1
  Ni  Ni323  1  0.948959  0.210800  0.548352  1
  Ni  Ni324  1  0.604335  0.201354  0.532523  1
  Ni  Ni325  1  0.214183  0.680739  0.608173  1
  Ni  Ni326  1  0.558840  0.690964  0.623092  1
  Ni  Ni327  1  0.869712  0.671353  0.591622  1
  Ni  Ni328  1  0.892173  0.357631  0.623092  1
  Ni  Ni329  1  0.203045  0.338020  0.591622  1
  Ni  Ni330  1  0.225507  0.024297  0.623092  1
  Ni  Ni331  1  0.547516  0.347405  0.608173  1
  Ni  Ni332  1  0.880849  0.014072  0.608173  1
  Ni  Ni333  1  0.536378  1.004686  0.591622  1
  Ni  Ni334  1  0.249496  0.799982  0.590684  1
  Ni  Ni335  1  0.595324  0.808785  0.607718  1
  Ni  Ni336  1  0.944325  0.817191  0.625042  1
  Ni  Ni337  1  0.928657  0.475452  0.607718  1
  Ni  Ni338  1  0.277658  0.483858  0.625042  1
  Ni  Ni339  1  0.261991  0.142118  0.607718  1
  Ni  Ni340  1  0.582830  0.466649  0.590684  1
  Ni  Ni341  1  0.916163  0.133316  0.590684  1
  Ni  Ni342  1  0.610992  0.150525  0.625042  1
  Ni  Ni343  1  0.362015  0.676159  0.589012  1
  Ni  Ni344  1  0.710511  0.684476  0.606918  1
  Ni  Ni345  1  0.053402  0.692104  0.620558  1
  Ni  Ni346  1  0.043844  0.351143  0.606918  1
  Ni  Ni347  1  0.386736  0.358771  0.620558  1
  Ni  Ni348  1  0.377177  0.017809  0.606918  1
  Ni  Ni349  1  0.695349  0.342825  0.589012  1
  Ni  Ni350  1  0.028682  0.009492  0.589012  1
  Ni  Ni351  1  0.720069  0.025438  0.620558  1
  Ni  Ni352  1  0.469792  0.900549  0.581861  1
  Ni  Ni353  1  0.815841  0.907868  0.597991  1
  Ni  Ni354  1  0.160043  0.918907  0.614053  1
  Ni  Ni355  1  0.149175  0.574534  0.597991  1
  Ni  Ni356  1  0.493376  0.585574  0.614053  1
  Ni  Ni357  1  0.482508  0.241201  0.597991  1
  Ni  Ni358  1  0.803125  0.567216  0.581861  1
  Ni  Ni359  1  0.136458  0.233882  0.581861  1
  Ni  Ni360  1  0.826709  0.252241  0.614053  1
  Ni  Ni361  1  0.432052  0.781811  0.597309  1
  Ni  Ni362  1  0.780672  0.789489  0.615875  1
  Ni  Ni363  1  0.087915  0.771678  0.580469  1
  Ni  Ni364  1  0.114005  0.456156  0.615875  1
  Ni  Ni365  1  0.421248  0.438345  0.580469  1
  Ni  Ni366  1  0.447339  0.122822  0.615875  1
  Ni  Ni367  1  0.765385  0.448477  0.597309  1
  Ni  Ni368  1  0.098718  0.115144  0.597309  1
  Ni  Ni369  1  0.754581  0.105012  0.580469  1
  Ni  Ni370  1  0.319648  0.905461  0.598888  1
  Ni  Ni371  1  0.666134  0.912717  0.615187  1
  Ni  Ni372  1  0.975529  0.895984  0.583361  1
  Ni  Ni373  1  0.999467  0.579384  0.615187  1
  Ni  Ni374  1  0.308862  0.562650  0.583361  1
  Ni  Ni375  1  0.332801  0.246051  0.615187  1
  Ni  Ni376  1  0.652982  0.572127  0.598888  1
  Ni  Ni377  1  0.986315  0.238794  0.598888  1
  Ni  Ni378  1  0.642196  0.229317  0.583361  1
  Ni  Ni379  1  0.252199  0.711010  0.658311  1
  Ni  Ni380  1  0.596557  0.717943  0.672408  1
  Ni  Ni381  1  0.908449  0.699046  0.643003  1
  Ni  Ni382  1  0.929890  0.384610  0.672408  1
  Ni  Ni383  1  0.241783  0.365713  0.643003  1
  Ni  Ni384  1  0.263223  0.051276  0.672408  1
  Ni  Ni385  1  0.585533  0.377676  0.658311  1
  Ni  Ni386  1  0.918866  0.044343  0.658311  1
  Ni  Ni387  1  0.575116  0.032379  0.643003  1
  Ni  Ni388  1  0.287701  0.828056  0.641649  1
  Ni  Ni389  1  0.637982  0.833900  0.657787  1
  Ni  Ni390  1  0.986115  0.843740  0.675271  1
  Ni  Ni391  1  0.971316  0.500567  0.657787  1
  Ni  Ni392  1  0.319448  0.510407  0.675271  1
  Ni  Ni393  1  0.304649  0.167233  0.657787  1
  Ni  Ni394  1  0.621035  0.494722  0.641649  1
  Ni  Ni395  1  0.954368  0.161389  0.641649  1
  Ni  Ni396  1  0.652782  0.177073  0.675271  1
  Ni  Ni397  1  0.400445  0.705022  0.639636  1
  Ni  Ni398  1  0.749837  0.710795  0.658087  1
  Ni  Ni399  1  0.092837  0.718680  0.668695  1
  Ni  Ni400  1  0.083170  0.377462  0.658087  1
  Ni  Ni401  1  0.426171  0.385347  0.668695  1
  Ni  Ni402  1  0.416504  0.044128  0.658087  1
  Ni  Ni403  1  0.733779  0.371689  0.639636  1
  Ni  Ni404  1  0.067112  0.038355  0.639636  1
  Ni  Ni405  1  0.759504  0.052013  0.668695  1
  Ni  Ni406  1  0.509249  0.927265  0.633813  1
  Ni  Ni407  1  0.856136  0.934162  0.649167  1
  Ni  Ni408  1  0.197812  0.947004  0.663839  1
  Ni  Ni409  1  0.189470  0.600829  0.649167  1
  Ni  Ni410  1  0.531145  0.613671  0.663839  1
  Ni  Ni411  1  0.522803  0.267496  0.649167  1
  Ni  Ni412  1  0.842582  0.593932  0.633813  1
  Ni  Ni413  1  0.175915  0.260598  0.633813  1
  Ni  Ni414  1  0.864479  0.280337  0.663839  1
  Ni  Ni415  1  0.468968  0.810372  0.648180  1
  Ni  Ni416  1  0.820607  0.817231  0.666483  1
  Ni  Ni417  1  0.125471  0.801139  0.631350  1
  Ni  Ni418  1  0.153940  0.483898  0.666483  1
  Ni  Ni419  1  0.458804  0.467806  0.631350  1
  Ni  Ni420  1  0.487273  0.150564  0.666483  1
  Ni  Ni421  1  0.802302  0.477039  0.648180  1
  Ni  Ni422  1  0.135635  0.143705  0.648180  1
  Ni  Ni423  1  0.792137  0.134473  0.631350  1
  Ni  Ni424  1  0.357010  0.933207  0.649122  1
  Ni  Ni425  1  0.705403  0.939588  0.664520  1
  Ni  Ni426  1  0.013541  0.925192  0.634355  1
  Ni  Ni427  1  0.038736  0.606254  0.664520  1
  Ni  Ni428  1  0.346875  0.591859  0.634355  1
  Ni  Ni429  1  0.372070  0.272921  0.664520  1
  Ni  Ni430  1  0.690344  0.599873  0.649122  1
  Ni  Ni431  1  0.023677  0.266540  0.649122  1
  Ni  Ni432  1  0.680208  0.258525  0.634355  1
  Ni  Ni433  1  0.282812  0.739690  0.708084  1
  Ni  Ni434  1  0.638515  0.741301  0.720147  1
  Ni  Ni435  1  0.952783  0.727431  0.694230  1
  Ni  Ni436  1  0.971848  0.407967  0.720147  1
  Ni  Ni437  1  0.286116  0.394098  0.694230  1
  Ni  Ni438  1  0.305181  0.074634  0.720147  1
  Ni  Ni439  1  0.616145  0.406356  0.708084  1
  Ni  Ni440  1  0.949478  0.073023  0.708084  1
  Ni  Ni441  1  0.619449  0.060764  0.694230  1
  Ni  Ni442  1  0.323976  0.857402  0.691699  1
  Ni  Ni443  1  0.683577  0.858259  0.706020  1
  Ni  Ni444  1  0.022001  0.878898  0.721675  1
  Ni  Ni445  1  0.016910  0.524925  0.706020  1
  Ni  Ni446  1  0.355335  0.545565  0.721675  1
  Ni  Ni447  1  0.350243  0.191592  0.706020  1
  Ni  Ni448  1  0.657309  0.524069  0.691699  1
  Ni  Ni449  1  0.990643  0.190735  0.691699  1
  Ni  Ni450  1  0.688668  0.212231  0.721675  1
  Ni  Ni451  1  0.436004  0.735934  0.689951  1
  Ni  Ni452  1  0.792804  0.736948  0.706254  1
  Ni  Ni453  1  0.106536  0.751421  0.716527  1
  Ni  Ni454  1  0.126137  0.403615  0.706254  1
  Ni  Ni455  1  0.439870  0.418087  0.716527  1
  Ni  Ni456  1  0.459470  0.070282  0.706254  1
  Ni  Ni457  1  0.769337  0.402601  0.689951  1
  Ni  Ni458  1  0.102671  0.069268  0.689951  1
  Ni  Ni459  1  0.773203  0.084754  0.716527  1
  Ni  Ni460  1  0.552126  0.953531  0.685012  1
  Ni  Ni461  1  0.891600  0.967171  0.698490  1
  Ni  Ni462  1  0.228977  0.975060  0.712098  1
  Ni  Ni463  1  0.224933  0.633838  0.698490  1
  Ni  Ni464  1  0.562310  0.641727  0.712098  1
  Ni  Ni465  1  0.558267  0.300505  0.698490  1
  Ni  Ni466  1  0.885460  0.620198  0.685012  1
  Ni  Ni467  1  0.218793  0.286864  0.685012  1
  Ni  Ni468  1  0.895644  0.308393  0.712098  1
  Ni  Ni469  1  0.516823  0.836856  0.696990  1
  Ni  Ni470  1  0.869666  0.845547  0.714103  1
  Ni  Ni471  1  0.162182  0.831607  0.682696  1
  Ni  Ni472  1  0.202999  0.512214  0.714103  1
  Ni  Ni473  1  0.495515  0.498274  0.682696  1
  Ni  Ni474  1  0.536333  0.178881  0.714103  1
  Ni  Ni475  1  0.850156  0.503523  0.696990  1
  Ni  Ni476  1  0.183490  0.170190  0.696990  1
  Ni  Ni477  1  0.828848  0.164940  0.682696  1
  Ni  Ni478  1  0.394866  0.959812  0.698151  1
  Ni  Ni479  1  0.744929  0.962989  0.712587  1
  Ni  Ni480  1  0.052483  0.957029  0.684467  1
  Ni  Ni481  1  0.078262  0.629655  0.712587  1
  Ni  Ni482  1  0.385816  0.623696  0.684467  1
  Ni  Ni483  1  0.411596  0.296322  0.712587  1
  Ni  Ni484  1  0.728200  0.626478  0.698151  1
  Ni  Ni485  1  0.061533  0.293145  0.698151  1
  Ni  Ni486  1  0.719150  0.290362  0.684467  1
  H  H487  1  0.051993  0.574682  0.315578  1
  H  H488  1  0.306275  0.586340  0.285483  1
  H  H489  1  0.682881  0.572265  0.301974  1
  H  H490  1  0.639608  0.253007  0.285483  1
  H  H491  1  0.016214  0.238931  0.301974  1
  H  H492  1  0.972941  0.919674  0.285483  1
  H  H493  1  0.385326  0.241349  0.315578  1
  H  H494  1  0.718659  0.908016  0.315578  1
  H  H495  1  0.349547  0.905598  0.301974  1
  H  H496  1  0.210860  0.702369  0.311113  1
  H  H497  1  0.523463  0.695203  0.281744  1
  H  H498  1  0.890704  0.674495  0.285952  1
  H  H499  1  0.856797  0.361870  0.281744  1
  H  H500  1  0.224037  0.341162  0.285952  1
  H  H501  1  0.190130  0.028536  0.281744  1
  H  H502  1  0.544193  0.369036  0.311113  1
  H  H503  1  0.877527  0.035702  0.311113  1
  H  H504  1  0.557371  0.007828  0.285952  1
  H  H505  1  0.085575  0.604763  0.368612  1
  H  H506  1  0.402993  0.580117  0.332368  1
  H  H507  1  0.742786  0.592724  0.351617  1
  H  H508  1  0.736326  0.246783  0.332368  1
  H  H509  1  0.076119  0.259391  0.351617  1
  H  H510  1  0.069660  0.913450  0.332368  1
  H  H511  1  0.418908  0.271430  0.368612  1
  H  H512  1  0.752241  0.938096  0.368612  1
  H  H513  1  0.409452  0.926058  0.351617  1
  H  H514  1  0.246983  0.730524  0.364444  1
  H  H515  1  0.572383  0.703215  0.326315  1
  H  H516  1  0.914826  0.716046  0.344521  1
  H  H517  1  0.905716  0.369882  0.326315  1
  H  H518  1  0.248159  0.382713  0.344521  1
  H  H519  1  0.239050  0.036549  0.326315  1
  H  H520  1  0.580316  0.397191  0.364444  1
  H  H521  1  0.913649  0.063857  0.364444  1
  H  H522  1  0.581492  0.049380  0.344521  1
  H  H523  1  0.125081  0.632271  0.419258  1
  H  H524  1  0.433938  0.611051  0.385482  1
  H  H525  1  0.779460  0.621738  0.402892  1
  H  H526  1  0.767272  0.277717  0.385482  1
  H  H527  1  0.112793  0.288405  0.402892  1
  H  H528  1  0.100605  0.944384  0.385482  1
  H  H529  1  0.458414  0.298938  0.419258  1
  H  H530  1  0.791747  0.965604  0.419258  1
  H  H531  1  0.446127  0.955071  0.402892  1
  H  H532  1  0.290477  0.756191  0.414600  1
  H  H533  1  0.601991  0.735391  0.380019  1
  H  H534  1  0.951066  0.744617  0.396159  1
  H  H535  1  0.935325  0.402058  0.380019  1
  H  H536  1  0.284399  0.411284  0.396159  1
  H  H537  1  0.268658  0.068725  0.380019  1
  H  H538  1  0.623810  0.422858  0.414600  1
  H  H539  1  0.957143  0.089524  0.414600  1
  H  H540  1  0.617732  0.077950  0.396159  1
  H  H541  1  0.163149  0.659418  0.470104  1
  H  H542  1  0.472368  0.639318  0.436412  1
  H  H543  1  0.817198  0.649969  0.453575  1
  H  H544  1  0.805702  0.305985  0.436412  1
  H  H545  1  0.150531  0.316635  0.453575  1
  H  H546  1  0.139035  0.972652  0.436412  1
  H  H547  1  0.496482  0.326084  0.470104  1
  H  H548  1  0.829815  0.992751  0.470104  1
  H  H549  1  0.483864  0.983302  0.453575  1
  H  H550  1  0.330162  0.783424  0.464954  1
  H  H551  1  0.640840  0.763914  0.430699  1
  H  H552  1  0.987143  0.772926  0.447288  1
  H  H553  1  0.974173  0.430581  0.430699  1
  H  H554  1  0.320477  0.439592  0.447288  1
  H  H555  1  0.307507  0.097247  0.430699  1
  H  H556  1  0.663495  0.450091  0.464954  1
  H  H557  1  0.996828  0.116758  0.464954  1
  H  H558  1  0.653810  0.106259  0.447288  1
  H  H559  1  0.200690  0.686932  0.520988  1
  H  H560  1  0.510225  0.667503  0.487079  1
  H  H561  1  0.854643  0.677896  0.504353  1
  H  H562  1  0.843559  0.334169  0.487079  1
  H  H563  1  0.187976  0.344562  0.504353  1
  H  H564  1  0.176892  1.000836  0.487079  1
  H  H565  1  0.534023  0.353598  0.520988  1
  H  H566  1  0.867356  0.020265  0.520988  1
  H  H567  1  0.521310  0.011229  0.504353  1
  H  H568  1  0.368370  0.811277  0.515508  1
  H  H569  1  0.677906  0.791848  0.481599  1
  H  H570  1  0.023952  0.800883  0.498234  1
  H  H571  1  0.011239  0.458514  0.481599  1
  H  H572  1  0.357286  0.467550  0.498234  1
  H  H573  1  0.344572  0.125181  0.481599  1
  H  H574  1  0.701703  0.477943  0.515508  1
  H  H575  1  0.035037  0.144610  0.515508  1
  H  H576  1  0.690619  0.134217  0.498234  1
  H  H577  1  0.237755  0.714865  0.571888  1
  H  H578  1  0.548434  0.695355  0.537633  1
  H  H579  1  0.891452  0.705854  0.555299  1
  H  H580  1  0.881767  0.362022  0.537633  1
  H  H581  1  0.224785  0.372520  0.555299  1
  H  H582  1  0.215100  0.028688  0.537633  1
  H  H583  1  0.571089  0.381532  0.571888  1
  H  H584  1  0.904422  0.048198  0.571888  1
  H  H585  1  0.558118  0.039187  0.555299  1
  H  H586  1  0.406227  0.839461  0.566175  1
  H  H587  1  0.715446  0.819362  0.532483  1
  H  H588  1  0.061398  0.828811  0.549012  1
  H  H589  1  0.048780  0.486028  0.532483  1
  H  H590  1  0.394731  0.495477  0.549012  1
  H  H591  1  0.382113  0.152695  0.532483  1
  H  H592  1  0.739560  0.506127  0.566175  1
  H  H593  1  0.072894  0.172794  0.566175  1
  H  H594  1  0.728064  0.162144  0.549012  1
  H  H595  1  0.276604  0.743388  0.622568  1
  H  H596  1  0.588118  0.722588  0.587987  1
  H  H597  1  0.927530  0.734162  0.606428  1
  H  H598  1  0.921452  0.389255  0.587987  1
  H  H599  1  0.260863  0.400829  0.606428  1
  H  H600  1  0.254785  0.055921  0.587987  1
  H  H601  1  0.609937  0.410054  0.622568  1
  H  H602  1  0.943270  0.076721  0.622568  1
  H  H603  1  0.594196  0.067495  0.606428  1
  H  H604  1  0.444657  0.867728  0.617105  1
  H  H605  1  0.753515  0.846508  0.583329  1
  H  H606  1  0.099135  0.857041  0.599695  1
  H  H607  1  0.086848  0.513175  0.583329  1
  H  H608  1  0.432469  0.523708  0.599695  1
  H  H609  1  0.420181  0.179841  0.583329  1
  H  H610  1  0.777990  0.534395  0.617105  1
  H  H611  1  0.111324  0.201062  0.617105  1
  H  H612  1  0.765802  0.190374  0.599695  1
  H  H613  1  0.306212  0.775564  0.676272  1
  H  H614  1  0.631613  0.748255  0.638143  1
  H  H615  1  0.963770  0.762733  0.658066  1
  H  H616  1  0.964946  0.414922  0.638143  1
  H  H617  1  0.297103  0.429399  0.658066  1
  H  H618  1  0.298279  0.081588  0.638143  1
  H  H619  1  0.639546  0.442231  0.676272  1
  H  H620  1  0.972879  0.108897  0.676272  1
  H  H621  1  0.630436  0.096066  0.658066  1
  H  H622  1  0.475602  0.898662  0.670219  1
  H  H623  1  0.793021  0.874016  0.633975  1
  H  H624  1  0.135810  0.886055  0.650970  1
  H  H625  1  0.126354  0.540683  0.633975  1
  H  H626  1  0.469143  0.552721  0.650970  1
  H  H627  1  0.459687  0.207349  0.633975  1
  H  H628  1  0.808936  0.565329  0.670219  1
  H  H629  1  0.142269  0.231996  0.670219  1
  H  H630  1  0.802476  0.219388  0.650970  1
  H  H631  1  0.355132  0.783576  0.720843  1
  H  H632  1  0.667735  0.776410  0.691474  1
  H  H633  1  0.987891  0.804284  0.716635  1
  H  H634  1  1.001068  0.443077  0.691474  1
  H  H635  1  0.321225  0.470951  0.716635  1
  H  H636  1  0.334402  0.109743  0.691474  1
  H  H637  1  0.688465  0.450243  0.720843  1
  H  H638  1  0.021799  0.116909  0.720843  1
  H  H639  1  0.654558  0.137617  0.716635  1
  H  H640  1  0.572320  0.892439  0.717104  1
  H  H641  1  0.826603  0.904097  0.687009  1
  H  H642  1  0.195714  0.906514  0.700613  1
  H  H643  1  0.159936  0.570764  0.687009  1
  H  H644  1  0.529048  0.573181  0.700613  1
  H  H645  1  0.493269  0.237430  0.687009  1
  H  H646  1  0.905654  0.559106  0.717104  1
  H  H647  1  0.238987  0.225772  0.717104  1
  H  H648  1  0.862381  0.239848  0.700613  1
