# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.61198870
_cell_length_b   11.09188266
_cell_length_c   67.29345941
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni540 H180'
_cell_volume   15307.8999262
_cell_formula_units_Z   180
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  0.048970  0.717340  0.193783  1
  Ni  Ni2  1  0.380838  0.380248  0.195407  1
  Ni  Ni3  1  0.348790  0.730429  0.218651  1
  Ni  Ni4  1  0.714192  1.053110  0.191734  1
  Ni  Ni5  1  0.680968  0.406258  0.215351  1
  Ni  Ni6  1  0.675467  0.767505  0.243800  1
  Ni  Ni7  1  0.014590  1.069064  0.217326  1
  Ni  Ni8  1  0.008779  0.434969  0.248264  1
  Ni  Ni9  1  0.343249  1.100352  0.249570  1
  Ni  Ni10  1  -0.061494  0.636462  0.245260  1
  Ni  Ni11  1  0.272720  0.304227  0.246939  1
  Ni  Ni12  1  0.321646  0.594045  0.193150  1
  Ni  Ni13  1  0.607399  0.964539  0.245950  1
  Ni  Ni14  1  0.652822  0.266318  0.190223  1
  Ni  Ni15  1  0.634147  0.629225  0.216967  1
  Ni  Ni16  1  -0.011029  0.929685  0.191806  1
  Ni  Ni17  1  -0.031198  0.297120  0.218761  1
  Ni  Ni18  1  0.301530  0.965217  0.220650  1
  Ni  Ni19  1  -0.062855  0.658353  0.192511  1
  Ni  Ni20  1  0.269195  0.326702  0.194512  1
  Ni  Ni21  1  0.239953  0.676042  0.219283  1
  Ni  Ni22  1  0.600538  0.988253  0.191565  1
  Ni  Ni23  1  0.574802  0.338730  0.218213  1
  Ni  Ni24  1  0.569036  0.698199  0.246266  1
  Ni  Ni25  1  -0.093229  1.007638  0.217620  1
  Ni  Ni26  1  -0.100858  0.373413  0.246350  1
  Ni  Ni27  1  0.231917  1.046080  0.248427  1
  Ni  Ni28  1  0.211370  0.538890  0.193567  1
  Ni  Ni29  1  0.543796  1.199831  0.193053  1
  Ni  Ni30  1  0.527264  0.559078  0.220650  1
  Ni  Ni31  1  0.878831  0.869567  0.191867  1
  Ni  Ni32  1  0.859737  1.233672  0.219132  1
  Ni  Ni33  1  0.825157  0.576966  0.244258  1
  Ni  Ni34  1  0.192026  0.905611  0.221208  1
  Ni  Ni35  1  0.159409  1.250178  0.245513  1
  Ni  Ni36  1  0.495555  0.901407  0.246205  1
  Ni  Ni37  1  0.159021  0.767132  0.195248  1
  Ni  Ni38  1  0.490740  0.424832  0.195227  1
  Ni  Ni39  1  0.464075  0.770058  0.219853  1
  Ni  Ni40  1  0.826457  1.097965  0.192887  1
  Ni  Ni41  1  0.795607  0.447049  0.217008  1
  Ni  Ni42  1  0.790118  0.811641  0.247605  1
  Ni  Ni43  1  0.128642  1.114719  0.219225  1
  Ni  Ni44  1  0.122810  0.481281  0.250203  1
  Ni  Ni45  1  0.461137  1.131680  0.250712  1
  Ni  Ni46  1  0.100418  0.487085  0.192433  1
  Ni  Ni47  1  0.433680  1.145604  0.193084  1
  Ni  Ni48  1  0.413261  0.522866  0.221420  1
  Ni  Ni49  1  0.765625  0.825514  0.189713  1
  Ni  Ni50  1  0.746686  1.195864  0.217100  1
  Ni  Ni51  1  0.712392  0.542482  0.241245  1
  Ni  Ni52  1  0.078835  0.861134  0.220295  1
  Ni  Ni53  1  0.047182  1.202160  0.244027  1
  Ni  Ni54  1  0.381775  0.863964  0.244664  1
  Ni  Ni55  1  0.014590  0.569064  0.217326  1
  Ni  Ni56  1  0.348790  1.230429  0.218651  1
  Ni  Ni57  1  0.343249  0.600352  0.249570  1
  Ni  Ni58  1  0.680968  0.906258  0.215351  1
  Ni  Ni59  1  0.675468  0.267504  0.243800  1
  Ni  Ni60  1  0.714192  0.553110  0.191734  1
  Ni  Ni61  1  0.008780  0.934969  0.248264  1
  Ni  Ni62  1  0.048970  1.217340  0.193783  1
  Ni  Ni63  1  0.380838  0.880248  0.195407  1
  Ni  Ni64  1  -0.031198  0.797120  0.218761  1
  Ni  Ni65  1  0.301530  0.465217  0.220650  1
  Ni  Ni66  1  0.272720  0.804227  0.246939  1
  Ni  Ni67  1  0.634147  1.129225  0.216967  1
  Ni  Ni68  1  0.607399  0.464539  0.245950  1
  Ni  Ni69  1  0.652822  0.766318  0.190223  1
  Ni  Ni70  1  -0.061494  1.136462  0.245260  1
  Ni  Ni71  1  -0.011029  0.429685  0.191806  1
  Ni  Ni72  1  0.321646  1.094045  0.193150  1
  Ni  Ni73  1  -0.093229  0.507638  0.217620  1
  Ni  Ni74  1  0.239953  1.176042  0.219283  1
  Ni  Ni75  1  0.231917  0.546080  0.248427  1
  Ni  Ni76  1  0.574802  0.838730  0.218213  1
  Ni  Ni77  1  0.569036  1.198199  0.246266  1
  Ni  Ni78  1  0.600538  0.488253  0.191565  1
  Ni  Ni79  1  -0.100858  0.873413  0.246350  1
  Ni  Ni80  1  -0.062855  1.158353  0.192511  1
  Ni  Ni81  1  0.269195  0.826702  0.194512  1
  Ni  Ni82  1  0.159409  0.750178  0.245513  1
  Ni  Ni83  1  0.495555  0.401407  0.246205  1
  Ni  Ni84  1  0.543796  0.699832  0.193053  1
  Ni  Ni85  1  0.825157  1.076966  0.244258  1
  Ni  Ni86  1  0.878831  0.369567  0.191867  1
  Ni  Ni87  1  0.859737  0.733672  0.219132  1
  Ni  Ni88  1  0.211370  1.038890  0.193567  1
  Ni  Ni89  1  0.192026  0.405611  0.221208  1
  Ni  Ni90  1  0.527265  1.059078  0.220650  1
  Ni  Ni91  1  0.128642  0.614719  0.219225  1
  Ni  Ni92  1  0.464075  0.270058  0.219853  1
  Ni  Ni93  1  0.461137  0.631680  0.250712  1
  Ni  Ni94  1  0.795607  0.947049  0.217008  1
  Ni  Ni95  1  0.790118  0.311641  0.247605  1
  Ni  Ni96  1  0.826457  0.597965  0.192887  1
  Ni  Ni97  1  0.122810  0.981281  0.250203  1
  Ni  Ni98  1  0.159021  0.267133  0.195248  1
  Ni  Ni99  1  0.490740  0.924832  0.195227  1
  Ni  Ni100  1  0.047182  0.702160  0.244027  1
  Ni  Ni101  1  0.381775  0.363964  0.244664  1
  Ni  Ni102  1  0.433680  0.645605  0.193084  1
  Ni  Ni103  1  0.712392  1.042482  0.241245  1
  Ni  Ni104  1  0.765625  0.325514  0.189713  1
  Ni  Ni105  1  0.746686  0.695864  0.217100  1
  Ni  Ni106  1  0.100418  0.987085  0.192433  1
  Ni  Ni107  1  0.078835  0.361135  0.220295  1
  Ni  Ni108  1  0.413261  1.022866  0.221420  1
  Ni  Ni109  1  -0.032067  0.772943  0.273403  1
  Ni  Ni110  1  0.299574  0.441152  0.275503  1
  Ni  Ni111  1  0.231734  0.621667  0.310927  1
  Ni  Ni112  1  0.632569  1.089764  0.274274  1
  Ni  Ni113  1  0.572218  0.330387  0.308814  1
  Ni  Ni114  1  0.620927  0.677019  0.336497  1
  Ni  Ni115  1  -0.091035  0.996826  0.312193  1
  Ni  Ni116  1  -0.043255  0.313029  0.336819  1
  Ni  Ni117  1  0.289126  0.994956  0.339303  1
  Ni  Ni118  1  0.843505  0.641690  0.333998  1
  Ni  Ni119  1  0.172694  0.267602  0.336090  1
  Ni  Ni120  1  0.282691  0.684198  0.280081  1
  Ni  Ni121  1  0.498975  0.967201  0.331513  1
  Ni  Ni122  1  0.627484  0.316846  0.276019  1
  Ni  Ni123  1  0.573231  0.580450  0.307542  1
  Ni  Ni124  1  -0.050998  1.021765  0.278740  1
  Ni  Ni125  1  -0.095953  1.246690  0.305582  1
  Ni  Ni126  1  0.239782  0.875956  0.310092  1
  Ni  Ni127  1  0.859731  0.685214  0.273996  1
  Ni  Ni128  1  0.194870  0.359287  0.276272  1
  Ni  Ni129  1  0.114352  0.722298  0.306067  1
  Ni  Ni130  1  0.532733  0.983010  0.277828  1
  Ni  Ni131  1  0.449727  0.355730  0.303576  1
  Ni  Ni132  1  0.495410  0.707575  0.330999  1
  Ni  Ni133  1  0.789379  1.062028  0.303122  1
  Ni  Ni134  1  0.827614  0.382081  0.328113  1
  Ni  Ni135  1  0.166572  1.008543  0.334660  1
  Ni  Ni136  1  0.171847  0.615676  0.277971  1
  Ni  Ni137  1  0.517916  1.234879  0.278688  1
  Ni  Ni138  1  0.450920  0.603045  0.301916  1
  Ni  Ni139  1  0.845076  0.934820  0.277213  1
  Ni  Ni140  1  0.781479  0.298660  0.297758  1
  Ni  Ni141  1  0.728804  0.534926  0.334396  1
  Ni  Ni142  1  0.120567  0.970610  0.301491  1
  Ni  Ni143  1  0.066413  1.172678  0.338910  1
  Ni  Ni144  1  0.393854  0.864093  0.335920  1
  Ni  Ni145  1  0.083015  0.816381  0.273624  1
  Ni  Ni146  1  0.415058  0.476245  0.273957  1
  Ni  Ni147  1  0.346042  0.749915  0.308748  1
  Ni  Ni148  1  0.741966  1.162078  0.271152  1
  Ni  Ni149  1  0.678363  0.435477  0.305043  1
  Ni  Ni150  1  0.729003  0.770928  0.332346  1
  Ni  Ni151  1  0.010311  1.110224  0.309101  1
  Ni  Ni152  1  0.063789  0.411440  0.334648  1
  Ni  Ni153  1  0.392991  1.101596  0.335361  1
  Ni  Ni154  1  0.055095  0.587641  0.275585  1
  Ni  Ni155  1  0.393052  1.244207  0.275569  1
  Ni  Ni156  1  0.344514  0.506609  0.306071  1
  Ni  Ni157  1  0.724518  0.929961  0.271732  1
  Ni  Ni158  1  0.678583  1.180057  0.303960  1
  Ni  Ni159  1  0.623223  0.434712  0.337467  1
  Ni  Ni160  1  0.010434  0.863568  0.303301  1
  Ni  Ni161  1  -0.034923  1.072635  0.342466  1
  Ni  Ni162  1  0.292085  0.743102  0.341363  1
  Ni  Ni163  1  -0.091035  0.496825  0.312193  1
  Ni  Ni164  1  0.231734  1.121667  0.310927  1
  Ni  Ni165  1  0.289126  0.494956  0.339303  1
  Ni  Ni166  1  0.572218  0.830387  0.308814  1
  Ni  Ni167  1  0.620927  1.177019  0.336497  1
  Ni  Ni168  1  0.632569  0.589763  0.274275  1
  Ni  Ni169  1  -0.043255  0.813029  0.336819  1
  Ni  Ni170  1  -0.032067  0.272943  0.273403  1
  Ni  Ni171  1  0.299574  0.941152  0.275503  1
  Ni  Ni172  1  -0.095952  0.746690  0.305582  1
  Ni  Ni173  1  0.239782  0.375956  0.310092  1
  Ni  Ni174  1  0.172694  0.767602  0.336090  1
  Ni  Ni175  1  0.573231  1.080450  0.307542  1
  Ni  Ni176  1  0.498975  0.467201  0.331513  1
  Ni  Ni177  1  0.627484  0.816844  0.276019  1
  Ni  Ni178  1  0.843506  1.141690  0.333998  1
  Ni  Ni179  1  -0.050998  0.521767  0.278740  1
  Ni  Ni180  1  0.282691  1.184198  0.280081  1
  Ni  Ni181  1  0.789379  0.562028  0.303122  1
  Ni  Ni182  1  0.114352  1.222298  0.306067  1
  Ni  Ni183  1  0.166572  0.508543  0.334660  1
  Ni  Ni184  1  0.449727  0.855730  0.303576  1
  Ni  Ni185  1  0.495410  1.207575  0.330999  1
  Ni  Ni186  1  0.532732  0.483010  0.277827  1
  Ni  Ni187  1  0.827614  0.882081  0.328113  1
  Ni  Ni188  1  0.859731  1.185213  0.273996  1
  Ni  Ni189  1  0.194869  0.859287  0.276272  1
  Ni  Ni190  1  0.066413  0.672678  0.338910  1
  Ni  Ni191  1  0.393854  0.364093  0.335920  1
  Ni  Ni192  1  0.517916  0.734878  0.278688  1
  Ni  Ni193  1  0.728804  1.034925  0.334396  1
  Ni  Ni194  1  0.845077  0.434819  0.277213  1
  Ni  Ni195  1  0.781479  0.798660  0.297758  1
  Ni  Ni196  1  0.171847  1.115676  0.277971  1
  Ni  Ni197  1  0.120567  0.470610  0.301491  1
  Ni  Ni198  1  0.450920  1.103045  0.301916  1
  Ni  Ni199  1  0.010311  0.610224  0.309101  1
  Ni  Ni200  1  0.346042  1.249915  0.308748  1
  Ni  Ni201  1  0.392991  0.601596  0.335361  1
  Ni  Ni202  1  0.678363  0.935478  0.305043  1
  Ni  Ni203  1  0.729003  0.270927  0.332346  1
  Ni  Ni204  1  0.741965  0.662080  0.271152  1
  Ni  Ni205  1  0.063789  0.911440  0.334648  1
  Ni  Ni206  1  0.083015  0.316381  0.273624  1
  Ni  Ni207  1  0.415058  0.976245  0.273957  1
  Ni  Ni208  1  -0.034923  0.572635  0.342466  1
  Ni  Ni209  1  0.292085  1.243102  0.341363  1
  Ni  Ni210  1  0.393052  0.744207  0.275569  1
  Ni  Ni211  1  0.623223  0.934712  0.337467  1
  Ni  Ni212  1  0.724519  0.429962  0.271732  1
  Ni  Ni213  1  0.678583  0.680057  0.303960  1
  Ni  Ni214  1  0.055095  1.087641  0.275585  1
  Ni  Ni215  1  0.010434  0.363568  0.303301  1
  Ni  Ni216  1  0.344514  1.006609  0.306071  1
  Ni  Ni217  1  0.890473  0.719625  0.363937  1
  Ni  Ni218  1  0.217754  0.376186  0.364944  1
  Ni  Ni219  1  0.149557  0.618658  0.395500  1
  Ni  Ni220  1  0.545722  1.072865  0.360047  1
  Ni  Ni221  1  0.481548  0.321305  0.391573  1
  Ni  Ni222  1  0.534691  0.687474  0.421637  1
  Ni  Ni223  1  0.818972  0.972410  0.391386  1
  Ni  Ni224  1  0.862514  0.335791  0.424158  1
  Ni  Ni225  1  0.198166  0.985522  0.425927  1
  Ni  Ni226  1  0.753411  0.493719  0.422329  1
  Ni  Ni227  1  0.090148  1.125676  0.427987  1
  Ni  Ni228  1  0.106026  0.511867  0.366212  1
  Ni  Ni229  1  0.426088  0.825975  0.424017  1
  Ni  Ni230  1  0.436180  1.212945  0.363471  1
  Ni  Ni231  1  0.485638  0.583721  0.392783  1
  Ni  Ni232  1  0.776104  0.869935  0.361631  1
  Ni  Ni233  1  0.821932  1.230915  0.394021  1
  Ni  Ni234  1  0.155109  0.883130  0.396842  1
  Ni  Ni235  1  0.777090  0.628017  0.364278  1
  Ni  Ni236  1  0.113475  0.271787  0.368165  1
  Ni  Ni237  1  0.045484  0.517148  0.398651  1
  Ni  Ni238  1  0.441978  0.970112  0.364699  1
  Ni  Ni239  1  0.373936  1.222490  0.396543  1
  Ni  Ni240  1  0.424311  0.589934  0.424573  1
  Ni  Ni241  1  0.712518  0.884921  0.393848  1
  Ni  Ni242  1  0.757030  1.247901  0.425312  1
  Ni  Ni243  1  0.092549  0.883928  0.429771  1
  Ni  Ni244  1  0.003324  0.407122  0.367697  1
  Ni  Ni245  1  0.333938  1.101616  0.368566  1
  Ni  Ni246  1  0.380032  0.472420  0.398263  1
  Ni  Ni247  1  0.668284  0.782343  0.365062  1
  Ni  Ni248  1  0.712706  1.143613  0.396237  1
  Ni  Ni249  1  0.633023  0.523696  0.416465  1
  Ni  Ni250  1  0.051666  0.778287  0.400450  1
  Ni  Ni251  1  -0.032407  1.166962  0.419321  1
  Ni  Ni252  1  0.302525  0.847017  0.421505  1
  Ni  Ni253  1  0.009413  0.673165  0.371731  1
  Ni  Ni254  1  0.338510  0.366777  0.368501  1
  Ni  Ni255  1  0.253409  0.722849  0.392445  1
  Ni  Ni256  1  0.669898  1.035381  0.366888  1
  Ni  Ni257  1  0.586824  0.425950  0.387476  1
  Ni  Ni258  1  0.635676  0.803043  0.418234  1
  Ni  Ni259  1  -0.073258  1.058930  0.389555  1
  Ni  Ni260  1  -0.031118  0.422449  0.422689  1
  Ni  Ni261  1  0.301586  1.101522  0.423665  1
  Ni  Ni262  1  0.881616  0.459499  0.359100  1
  Ni  Ni263  1  0.213068  1.114904  0.363445  1
  Ni  Ni264  1  0.259552  0.487168  0.393186  1
  Ni  Ni265  1  0.544259  0.813717  0.359107  1
  Ni  Ni266  1  0.592421  1.180156  0.389292  1
  Ni  Ni267  1  0.525906  0.435021  0.420036  1
  Ni  Ni268  1  -0.070648  0.823425  0.392624  1
  Ni  Ni269  1  0.860943  1.077651  0.421416  1
  Ni  Ni270  1  0.193137  0.736240  0.424348  1
  Ni  Ni271  1  0.818972  0.472411  0.391386  1
  Ni  Ni272  1  0.149557  1.118658  0.395500  1
  Ni  Ni273  1  0.198166  0.485522  0.425927  1
  Ni  Ni274  1  0.481548  0.821305  0.391573  1
  Ni  Ni275  1  0.534691  1.187474  0.421637  1
  Ni  Ni276  1  0.545722  0.572865  0.360047  1
  Ni  Ni277  1  0.862514  0.835791  0.424158  1
  Ni  Ni278  1  0.890473  1.219625  0.363937  1
  Ni  Ni279  1  0.217754  0.876186  0.364944  1
  Ni  Ni280  1  0.821932  0.730915  0.394021  1
  Ni  Ni281  1  0.155109  0.383129  0.396842  1
  Ni  Ni282  1  0.090148  0.625676  0.427987  1
  Ni  Ni283  1  0.485638  1.083721  0.392783  1
  Ni  Ni284  1  0.426088  0.325975  0.424017  1
  Ni  Ni285  1  0.436180  0.712945  0.363471  1
  Ni  Ni286  1  0.753411  0.993719  0.422329  1
  Ni  Ni287  1  0.776104  0.369936  0.361631  1
  Ni  Ni288  1  0.106026  1.011867  0.366212  1
  Ni  Ni289  1  0.712518  0.384921  0.393848  1
  Ni  Ni290  1  0.045484  1.017148  0.398651  1
  Ni  Ni291  1  0.092549  0.383928  0.429771  1
  Ni  Ni292  1  0.373936  0.722490  0.396543  1
  Ni  Ni293  1  0.424311  1.089934  0.424573  1
  Ni  Ni294  1  0.441978  0.470112  0.364699  1
  Ni  Ni295  1  0.757030  0.747902  0.425312  1
  Ni  Ni296  1  0.777090  1.128017  0.364278  1
  Ni  Ni297  1  0.113475  0.771787  0.368165  1
  Ni  Ni298  1  -0.032407  0.666962  0.419321  1
  Ni  Ni299  1  0.302525  0.347017  0.421505  1
  Ni  Ni300  1  0.333938  0.601616  0.368566  1
  Ni  Ni301  1  0.633023  1.023696  0.416465  1
  Ni  Ni302  1  0.668284  0.282343  0.365062  1
  Ni  Ni303  1  0.712706  0.643613  0.396237  1
  Ni  Ni304  1  0.003324  0.907122  0.367697  1
  Ni  Ni305  1  0.051666  0.278286  0.400450  1
  Ni  Ni306  1  0.380032  0.972420  0.398263  1
  Ni  Ni307  1  -0.073258  0.558930  0.389555  1
  Ni  Ni308  1  0.253409  1.222849  0.392445  1
  Ni  Ni309  1  0.301586  0.601522  0.423665  1
  Ni  Ni310  1  0.586824  0.925950  0.387476  1
  Ni  Ni311  1  0.635676  0.303043  0.418234  1
  Ni  Ni312  1  0.669898  0.535381  0.366888  1
  Ni  Ni313  1  -0.031118  0.922449  0.422689  1
  Ni  Ni314  1  0.009413  1.173165  0.371731  1
  Ni  Ni315  1  0.338510  0.866777  0.368501  1
  Ni  Ni316  1  0.860943  0.577651  0.421416  1
  Ni  Ni317  1  0.193137  1.236240  0.424348  1
  Ni  Ni318  1  0.213068  0.614904  0.363445  1
  Ni  Ni319  1  0.525906  0.935021  0.420036  1
  Ni  Ni320  1  0.544259  0.313717  0.359107  1
  Ni  Ni321  1  0.592421  0.680156  0.389292  1
  Ni  Ni322  1  0.881616  0.959499  0.359100  1
  Ni  Ni323  1  -0.070648  0.323425  0.392624  1
  Ni  Ni324  1  0.259553  0.987167  0.393186  1
  Ni  Ni325  1  0.793138  0.586887  0.452579  1
  Ni  Ni326  1  0.138820  1.221218  0.456926  1
  Ni  Ni327  1  0.057102  0.618622  0.481199  1
  Ni  Ni328  1  0.470961  0.945273  0.452376  1
  Ni  Ni329  1  0.404200  1.206715  0.484805  1
  Ni  Ni330  1  0.349012  0.513767  0.512527  1
  Ni  Ni331  1  0.726388  0.998589  0.479112  1
  Ni  Ni332  1  0.681600  1.193622  0.509157  1
  Ni  Ni333  1  0.013114  0.858226  0.510568  1
  Ni  Ni334  1  0.661424  0.441861  0.512426  1
  Ni  Ni335  1  -0.004950  1.095819  0.514891  1
  Ni  Ni336  1  0.012747  0.525065  0.451924  1
  Ni  Ni337  1  0.329019  0.748303  0.516164  1
  Ni  Ni338  1  0.361366  1.105864  0.455130  1
  Ni  Ni339  1  0.413300  0.467255  0.483317  1
  Ni  Ni340  1  0.683132  0.901003  0.448291  1
  Ni  Ni341  1  0.727275  1.247598  0.477464  1
  Ni  Ni342  1  0.064104  0.862604  0.477954  1
  Ni  Ni343  1  0.675171  0.645696  0.444749  1
  Ni  Ni344  1  0.012127  0.265189  0.449684  1
  Ni  Ni345  1  -0.046286  0.506886  0.485098  1
  Ni  Ni346  1  0.363012  0.860109  0.453617  1
  Ni  Ni347  1  0.290727  1.140173  0.485882  1
  Ni  Ni348  1  0.239047  0.448917  0.512965  1
  Ni  Ni349  1  0.618938  0.890026  0.480460  1
  Ni  Ni350  1  0.570394  1.150650  0.510538  1
  Ni  Ni351  1  -0.091135  0.779923  0.514350  1
  Ni  Ni352  1  -0.096021  0.438639  0.454910  1
  Ni  Ni353  1  0.255714  1.012440  0.457214  1
  Ni  Ni354  1  0.306812  0.376572  0.485084  1
  Ni  Ni355  1  0.574158  0.799998  0.450371  1
  Ni  Ni356  1  0.622973  1.144369  0.477640  1
  Ni  Ni357  1  0.546604  0.403885  0.511827  1
  Ni  Ni358  1  -0.048536  0.765101  0.481108  1
  Ni  Ni359  1  0.880051  1.055735  0.515323  1
  Ni  Ni360  1  0.213702  0.718062  0.515216  1
  Ni  Ni361  1  -0.094218  0.672729  0.451395  1
  Ni  Ni362  1  0.257212  0.266089  0.454174  1
  Ni  Ni363  1  0.179104  0.588667  0.486634  1
  Ni  Ni364  1  0.575407  1.037517  0.449306  1
  Ni  Ni365  1  0.512524  0.297225  0.482320  1
  Ni  Ni366  1  0.459480  0.582135  0.512926  1
  Ni  Ni367  1  0.843571  0.905815  0.488938  1
  Ni  Ni368  1  0.791340  1.257639  0.510545  1
  Ni  Ni369  1  0.118192  0.945936  0.509394  1
  Ni  Ni370  1  0.806450  0.332469  0.457018  1
  Ni  Ni371  1  0.137393  0.987596  0.457525  1
  Ni  Ni372  1  0.188176  0.337500  0.483464  1
  Ni  Ni373  1  0.468747  0.696860  0.453193  1
  Ni  Ni374  1  0.519107  1.053562  0.481430  1
  Ni  Ni375  1  0.436422  0.329505  0.513219  1
  Ni  Ni376  1  0.846237  0.646172  0.482739  1
  Ni  Ni377  1  0.767459  1.015748  0.513085  1
  Ni  Ni378  1  0.100276  0.688335  0.512192  1
  Ni  Ni379  1  0.726387  0.498589  0.479112  1
  Ni  Ni380  1  0.057102  1.118622  0.481199  1
  Ni  Ni381  1  0.013114  0.358226  0.510568  1
  Ni  Ni382  1  0.404200  0.706715  0.484805  1
  Ni  Ni383  1  0.349012  1.013767  0.512527  1
  Ni  Ni384  1  0.470961  0.445272  0.452376  1
  Ni  Ni385  1  0.681600  0.693621  0.509157  1
  Ni  Ni386  1  0.793138  1.086885  0.452579  1
  Ni  Ni387  1  0.138820  0.721218  0.456926  1
  Ni  Ni388  1  0.727275  0.747599  0.477464  1
  Ni  Ni389  1  0.064104  0.362604  0.477954  1
  Ni  Ni390  1  -0.004949  0.595819  0.514891  1
  Ni  Ni391  1  0.413300  0.967255  0.483317  1
  Ni  Ni392  1  0.329019  1.248303  0.516164  1
  Ni  Ni393  1  0.361366  0.605864  0.455130  1
  Ni  Ni394  1  0.661424  0.941860  0.512426  1
  Ni  Ni395  1  0.683131  0.401003  0.448291  1
  Ni  Ni396  1  0.012747  1.025065  0.451924  1
  Ni  Ni397  1  0.618938  0.390026  0.480460  1
  Ni  Ni398  1  -0.046286  1.006886  0.485098  1
  Ni  Ni399  1  -0.091135  0.279924  0.514350  1
  Ni  Ni400  1  0.290727  0.640172  0.485882  1
  Ni  Ni401  1  0.239047  0.948917  0.512965  1
  Ni  Ni402  1  0.363012  0.360109  0.453617  1
  Ni  Ni403  1  0.570394  0.650650  0.510538  1
  Ni  Ni404  1  0.675171  1.145696  0.444749  1
  Ni  Ni405  1  0.012127  0.765189  0.449684  1
  Ni  Ni406  1  0.880051  0.555734  0.515323  1
  Ni  Ni407  1  0.213702  1.218062  0.515216  1
  Ni  Ni408  1  0.255714  0.512440  0.457214  1
  Ni  Ni409  1  0.546604  0.903885  0.511827  1
  Ni  Ni410  1  0.574158  0.299998  0.450371  1
  Ni  Ni411  1  0.622972  0.644369  0.477640  1
  Ni  Ni412  1  -0.096021  0.938639  0.454910  1
  Ni  Ni413  1  -0.048536  0.265101  0.481108  1
  Ni  Ni414  1  0.306812  0.876572  0.485084  1
  Ni  Ni415  1  0.843571  0.405815  0.488938  1
  Ni  Ni416  1  0.179104  1.088667  0.486634  1
  Ni  Ni417  1  0.118192  0.445936  0.509394  1
  Ni  Ni418  1  0.512524  0.797225  0.482320  1
  Ni  Ni419  1  0.459480  1.082135  0.512926  1
  Ni  Ni420  1  0.575407  0.537517  0.449306  1
  Ni  Ni421  1  0.791340  0.757639  0.510545  1
  Ni  Ni422  1  -0.094218  1.172729  0.451395  1
  Ni  Ni423  1  0.257212  0.766089  0.454174  1
  Ni  Ni424  1  0.767460  0.515747  0.513085  1
  Ni  Ni425  1  0.100276  1.188335  0.512192  1
  Ni  Ni426  1  0.137393  0.487596  0.457525  1
  Ni  Ni427  1  0.436423  0.829505  0.513219  1
  Ni  Ni428  1  0.468747  1.196860  0.453193  1
  Ni  Ni429  1  0.519107  0.553562  0.481430  1
  Ni  Ni430  1  0.806450  0.832468  0.457018  1
  Ni  Ni431  1  0.846237  1.146172  0.482739  1
  Ni  Ni432  1  0.188176  0.837500  0.483464  1
  Ni  Ni433  1  0.689947  0.572267  0.541811  1
  Ni  Ni434  1  0.024468  1.230021  0.542566  1
  Ni  Ni435  1  -0.003881  0.565177  0.569671  1
  Ni  Ni436  1  0.359424  0.885748  0.543597  1
  Ni  Ni437  1  0.329630  1.227293  0.569982  1
  Ni  Ni438  1  0.311328  0.594052  0.597396  1
  Ni  Ni439  1  0.660933  0.908398  0.568039  1
  Ni  Ni440  1  0.642634  0.272564  0.595662  1
  Ni  Ni441  1  -0.021947  0.932355  0.597133  1
  Ni  Ni442  1  0.583864  0.486278  0.594175  1
  Ni  Ni443  1  -0.083621  1.147573  0.594329  1
  Ni  Ni444  1  -0.046459  0.433051  0.540692  1
  Ni  Ni445  1  0.249885  0.809886  0.594841  1
  Ni  Ni446  1  0.286854  1.093726  0.541481  1
  Ni  Ni447  1  0.283227  0.459462  0.571613  1
  Ni  Ni448  1  0.617686  0.780584  0.538349  1
  Ni  Ni449  1  0.615655  1.135121  0.569855  1
  Ni  Ni450  1  -0.050077  0.797819  0.571279  1
  Ni  Ni451  1  0.581204  0.509319  0.541965  1
  Ni  Ni452  1  -0.083219  1.162659  0.545425  1
  Ni  Ni453  1  0.884238  0.503376  0.568629  1
  Ni  Ni454  1  0.249581  0.830766  0.544750  1
  Ni  Ni455  1  0.217401  1.171321  0.568580  1
  Ni  Ni456  1  0.198158  0.545252  0.596559  1
  Ni  Ni457  1  0.552661  0.844037  0.567922  1
  Ni  Ni458  1  0.530538  1.214042  0.595600  1
  Ni  Ni459  1  0.864402  0.882447  0.597222  1
  Ni  Ni460  1  0.839148  0.390196  0.538721  1
  Ni  Ni461  1  0.172123  1.054815  0.538560  1
  Ni  Ni462  1  0.168555  0.419415  0.569767  1
  Ni  Ni463  1  0.506628  0.717114  0.539399  1
  Ni  Ni464  1  0.503102  1.078720  0.569402  1
  Ni  Ni465  1  0.474705  0.428327  0.594767  1
  Ni  Ni466  1  0.835143  0.758316  0.569958  1
  Ni  Ni467  1  0.805697  1.101257  0.593766  1
  Ni  Ni468  1  0.138986  0.766395  0.593956  1
  Ni  Ni469  1  0.803839  0.625156  0.543401  1
  Ni  Ni470  1  0.137052  0.287579  0.543072  1
  Ni  Ni471  1  0.104309  0.630404  0.567948  1
  Ni  Ni472  1  0.472992  0.940797  0.543353  1
  Ni  Ni473  1  0.440184  0.289174  0.569060  1
  Ni  Ni474  1  0.421031  0.653032  0.595880  1
  Ni  Ni475  1  0.769767  0.968693  0.567431  1
  Ni  Ni476  1  0.751927  0.335150  0.595007  1
  Ni  Ni477  1  0.087165  0.995289  0.595610  1
  Ni  Ni478  1  0.729147  0.330596  0.539780  1
  Ni  Ni479  1  0.064131  0.989422  0.541290  1
  Ni  Ni480  1  0.057748  0.356374  0.570173  1
  Ni  Ni481  1  0.399340  0.645010  0.542785  1
  Ni  Ni482  1  0.392625  1.012702  0.570933  1
  Ni  Ni483  1  0.362535  0.366257  0.596201  1
  Ni  Ni484  1  0.723782  0.698064  0.569442  1
  Ni  Ni485  1  0.694081  1.047431  0.594750  1
  Ni  Ni486  1  0.028474  0.706393  0.595750  1
  Ni  Ni487  1  0.660933  0.408398  0.568039  1
  Ni  Ni488  1  -0.003881  1.065177  0.569671  1
  Ni  Ni489  1  -0.021947  0.432355  0.597133  1
  Ni  Ni490  1  0.329630  0.727293  0.569982  1
  Ni  Ni491  1  0.311328  1.094052  0.597396  1
  Ni  Ni492  1  0.359424  0.385748  0.543597  1
  Ni  Ni493  1  0.642634  0.772564  0.595662  1
  Ni  Ni494  1  0.689947  1.072268  0.541811  1
  Ni  Ni495  1  0.024468  0.730021  0.542566  1
  Ni  Ni496  1  0.615655  0.635121  0.569855  1
  Ni  Ni497  1  -0.050077  0.297818  0.571279  1
  Ni  Ni498  1  -0.083621  0.647574  0.594329  1
  Ni  Ni499  1  0.283227  0.959462  0.571613  1
  Ni  Ni500  1  0.249885  0.309886  0.594841  1
  Ni  Ni501  1  0.286854  0.593726  0.541481  1
  Ni  Ni502  1  0.583864  0.986278  0.594175  1
  Ni  Ni503  1  0.617685  0.280584  0.538349  1
  Ni  Ni504  1  -0.046459  0.933052  0.540692  1
  Ni  Ni505  1  0.552661  0.344037  0.567922  1
  Ni  Ni506  1  0.884238  1.003377  0.568629  1
  Ni  Ni507  1  0.864402  0.382446  0.597222  1
  Ni  Ni508  1  0.217401  0.671321  0.568580  1
  Ni  Ni509  1  0.198158  1.045252  0.596559  1
  Ni  Ni510  1  0.249581  0.330766  0.544750  1
  Ni  Ni511  1  0.530538  0.714042  0.595600  1
  Ni  Ni512  1  0.581204  1.009319  0.541965  1
  Ni  Ni513  1  -0.083219  0.662659  0.545425  1
  Ni  Ni514  1  0.805697  0.601257  0.593766  1
  Ni  Ni515  1  0.138986  0.266395  0.593956  1
  Ni  Ni516  1  0.172123  0.554815  0.538560  1
  Ni  Ni517  1  0.474705  0.928327  0.594767  1
  Ni  Ni518  1  0.506628  1.217114  0.539399  1
  Ni  Ni519  1  0.503102  0.578720  0.569402  1
  Ni  Ni520  1  0.839148  0.890197  0.538721  1
  Ni  Ni521  1  0.835143  1.258315  0.569958  1
  Ni  Ni522  1  0.168555  0.919414  0.569767  1
  Ni  Ni523  1  0.769767  0.468693  0.567431  1
  Ni  Ni524  1  0.104309  1.130404  0.567948  1
  Ni  Ni525  1  0.087165  0.495289  0.595610  1
  Ni  Ni526  1  0.440184  0.789174  0.569060  1
  Ni  Ni527  1  0.421031  1.153032  0.595880  1
  Ni  Ni528  1  0.472992  0.440797  0.543353  1
  Ni  Ni529  1  0.751927  0.835150  0.595007  1
  Ni  Ni530  1  0.803839  1.125156  0.543401  1
  Ni  Ni531  1  0.137052  0.787579  0.543072  1
  Ni  Ni532  1  0.694081  0.547430  0.594750  1
  Ni  Ni533  1  0.028474  1.206393  0.595750  1
  Ni  Ni534  1  0.064131  0.489422  0.541290  1
  Ni  Ni535  1  0.362535  0.866257  0.596201  1
  Ni  Ni536  1  0.399340  1.145010  0.542785  1
  Ni  Ni537  1  0.392625  0.512702  0.570933  1
  Ni  Ni538  1  0.729147  0.830596  0.539780  1
  Ni  Ni539  1  0.723782  1.198065  0.569441  1
  Ni  Ni540  1  0.057748  0.856374  0.570173  1
  H  H541  1  0.888742  0.527267  0.260742  1
  H  H542  1  0.222145  1.201445  0.262620  1
  H  H543  1  0.296258  0.460103  0.189525  1
  H  H544  1  0.622996  0.880917  0.170360  1
  H  H545  1  0.628278  1.126609  0.187112  1
  H  H546  1  0.534064  0.549740  0.250736  1
  H  H547  1  -0.035814  0.793639  0.188011  1
  H  H548  1  0.863852  1.227354  0.247352  1
  H  H549  1  0.198620  0.900094  0.249511  1
  H  H550  1  0.129745  0.626408  0.189749  1
  H  H551  1  0.460571  0.285867  0.190274  1
  H  H552  1  0.402800  0.693555  0.236283  1
  H  H553  1  0.796467  0.960857  0.187674  1
  H  H554  1  0.734714  0.368972  0.232468  1
  H  H555  1  0.705301  0.799312  0.286895  1
  H  H556  1  0.066802  1.030199  0.234697  1
  H  H557  1  0.016306  0.424848  0.276366  1
  H  H558  1  0.349573  1.084753  0.278357  1
  H  H559  1  0.863851  0.727354  0.247351  1
  H  H560  1  0.198620  0.400094  0.249511  1
  H  H561  1  0.222145  0.701445  0.262620  1
  H  H562  1  0.534064  1.049740  0.250736  1
  H  H563  1  0.622996  0.380917  0.170360  1
  H  H564  1  0.628278  0.626609  0.187112  1
  H  H565  1  0.888742  1.027267  0.260742  1
  H  H566  1  -0.035814  0.293640  0.188011  1
  H  H567  1  0.296258  0.960103  0.189525  1
  H  H568  1  0.066802  0.530199  0.234697  1
  H  H569  1  0.402800  1.193555  0.236283  1
  H  H570  1  0.349573  0.584753  0.278357  1
  H  H571  1  0.734715  0.868972  0.232468  1
  H  H572  1  0.705302  0.299312  0.286895  1
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