# generated using pymatgen
data_NiH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.57242519
_cell_length_b   15.77311908
_cell_length_c   48.83670035
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   73.74702567
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH3
_chemical_formula_sum   'Ni360 H1080'
_cell_volume   14474.2393929
_cell_formula_units_Z   360
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  0.763330  0.841762  0.306687  1
  Ni  Ni2  1  0.263329  0.841763  0.306687  1
  Ni  Ni3  1  0.438289  0.808286  0.295484  1
  Ni  Ni4  1  0.596663  0.508429  0.306687  1
  Ni  Ni5  1  0.601315  0.758020  0.306424  1
  Ni  Ni6  1  0.771622  0.474953  0.295484  1
  Ni  Ni7  1  0.938288  0.808286  0.295484  1
  Ni  Ni8  1  0.096663  0.508429  0.306687  1
  Ni  Ni9  1  0.101315  0.758020  0.306424  1
  Ni  Ni10  1  0.271622  0.474952  0.295484  1
  Ni  Ni11  1  0.429996  0.175096  0.306687  1
  Ni  Ni12  1  0.434649  0.424686  0.306424  1
  Ni  Ni13  1  0.604955  0.141619  0.295484  1
  Ni  Ni14  1  0.767982  0.091353  0.306424  1
  Ni  Ni15  1  0.929996  0.175096  0.306687  1
  Ni  Ni16  1  0.934649  0.424686  0.306424  1
  Ni  Ni17  1  0.104955  0.141619  0.295484  1
  Ni  Ni18  1  0.267982  0.091353  0.306424  1
  Ni  Ni19  1  0.676882  0.597640  0.316303  1
  Ni  Ni20  1  0.176882  0.597640  0.316303  1
  Ni  Ni21  1  0.358264  0.709337  0.289369  1
  Ni  Ni22  1  0.510215  0.264306  0.316303  1
  Ni  Ni23  1  0.513329  0.654849  0.300750  1
  Ni  Ni24  1  0.691597  0.376003  0.289369  1
  Ni  Ni25  1  0.858264  0.709336  0.289369  1
  Ni  Ni26  1  0.010215  0.264306  0.316303  1
  Ni  Ni27  1  0.013329  0.654849  0.300750  1
  Ni  Ni28  1  0.191597  0.376003  0.289369  1
  Ni  Ni29  1  0.343549  0.930973  0.316303  1
  Ni  Ni30  1  0.346662  0.321515  0.300750  1
  Ni  Ni31  1  0.524930  0.042669  0.289369  1
  Ni  Ni32  1  0.679995  0.988182  0.300750  1
  Ni  Ni33  1  0.843549  0.930973  0.316303  1
  Ni  Ni34  1  0.846662  0.321515  0.300750  1
  Ni  Ni35  1  0.024931  0.042670  0.289369  1
  Ni  Ni36  1  0.179995  0.988182  0.300750  1
  Ni  Ni37  1  0.755006  0.697878  0.321971  1
  Ni  Ni38  1  0.255006  0.697878  0.321971  1
  Ni  Ni39  1  0.412211  0.657205  0.334640  1
  Ni  Ni40  1  0.588340  0.364544  0.321971  1
  Ni  Ni41  1  0.567338  0.610235  0.348883  1
  Ni  Ni42  1  0.745545  0.323872  0.334640  1
  Ni  Ni43  1  0.912211  0.657205  0.334640  1
  Ni  Ni44  1  0.088340  0.364544  0.321971  1
  Ni  Ni45  1  0.067338  0.610235  0.348883  1
  Ni  Ni46  1  0.245545  0.323872  0.334640  1
  Ni  Ni47  1  0.421673  0.031211  0.321971  1
  Ni  Ni48  1  0.400672  0.276901  0.348883  1
  Ni  Ni49  1  0.578878  0.990539  0.334640  1
  Ni  Ni50  1  0.734005  0.943568  0.348883  1
  Ni  Ni51  1  0.921673  0.031211  0.321971  1
  Ni  Ni52  1  0.900672  0.276901  0.348883  1
  Ni  Ni53  1  0.078878  0.990538  0.334640  1
  Ni  Ni54  1  0.234005  0.943568  0.348883  1
  Ni  Ni55  1  0.645308  0.443451  0.358753  1
  Ni  Ni56  1  0.145308  0.443451  0.358753  1
  Ni  Ni57  1  0.336336  0.542675  0.329742  1
  Ni  Ni58  1  0.478641  0.110117  0.358753  1
  Ni  Ni59  1  0.489831  0.495495  0.344100  1
  Ni  Ni60  1  0.669669  0.209341  0.329742  1
  Ni  Ni61  1  0.836336  0.542675  0.329742  1
  Ni  Ni62  1  0.978641  0.110117  0.358753  1
  Ni  Ni63  1  0.989831  0.495495  0.344100  1
  Ni  Ni64  1  0.169669  0.209341  0.329742  1
  Ni  Ni65  1  0.311974  0.776784  0.358753  1
  Ni  Ni66  1  0.323164  0.162161  0.344100  1
  Ni  Ni67  1  0.503002  0.876008  0.329742  1
  Ni  Ni68  1  0.656497  0.828828  0.344100  1
  Ni  Ni69  1  0.811974  0.776784  0.358753  1
  Ni  Ni70  1  0.823164  0.162161  0.344100  1
  Ni  Ni71  1  0.003002  0.876008  0.329742  1
  Ni  Ni72  1  0.156497  0.828828  0.344100  1
  Ni  Ni73  1  0.726490  0.551408  0.363626  1
  Ni  Ni74  1  0.226490  0.551408  0.363626  1
  Ni  Ni75  1  0.384276  0.499017  0.378738  1
  Ni  Ni76  1  0.559823  0.218075  0.363626  1
  Ni  Ni77  1  0.540670  0.446095  0.394067  1
  Ni  Ni78  1  0.717609  0.165684  0.378738  1
  Ni  Ni79  1  0.884276  0.499017  0.378738  1
  Ni  Ni80  1  0.059823  0.218075  0.363626  1
  Ni  Ni81  1  0.040670  0.446095  0.394067  1
  Ni  Ni82  1  0.217609  0.165684  0.378738  1
  Ni  Ni83  1  0.393156  0.884742  0.363626  1
  Ni  Ni84  1  0.374003  0.112762  0.394067  1
  Ni  Ni85  1  0.550943  0.832350  0.378738  1
  Ni  Ni86  1  0.707337  0.779428  0.394067  1
  Ni  Ni87  1  0.893156  0.884742  0.363626  1
  Ni  Ni88  1  0.874003  0.112762  0.394067  1
  Ni  Ni89  1  0.050943  0.832350  0.378738  1
  Ni  Ni90  1  0.207337  0.779428  0.394067  1
  Ni  Ni91  1  0.617259  0.283132  0.404387  1
  Ni  Ni92  1  0.117259  0.283132  0.404387  1
  Ni  Ni93  1  0.302246  0.391644  0.374192  1
  Ni  Ni94  1  0.450592  0.949799  0.404387  1
  Ni  Ni95  1  0.460342  0.337479  0.389268  1
  Ni  Ni96  1  0.635579  0.058311  0.374192  1
  Ni  Ni97  1  0.802246  0.391644  0.374192  1
  Ni  Ni98  1  0.950592  0.949799  0.404387  1
  Ni  Ni99  1  0.960342  0.337479  0.389268  1
  Ni  Ni100  1  0.135579  0.058311  0.374192  1
  Ni  Ni101  1  0.283925  0.616466  0.404387  1
  Ni  Ni102  1  0.293676  0.004145  0.389268  1
  Ni  Ni103  1  0.468912  0.724977  0.374192  1
  Ni  Ni104  1  0.627009  0.670812  0.389268  1
  Ni  Ni105  1  0.783925  0.616466  0.404387  1
  Ni  Ni106  1  0.793676  0.004146  0.389268  1
  Ni  Ni107  1  0.968912  0.724978  0.374192  1
  Ni  Ni108  1  0.127009  0.670812  0.389268  1
  Ni  Ni109  1  0.697386  0.393074  0.408806  1
  Ni  Ni110  1  0.197386  0.393074  0.408806  1
  Ni  Ni111  1  0.354412  0.340719  0.423512  1
  Ni  Ni112  1  0.530719  0.059741  0.408806  1
  Ni  Ni113  1  0.511450  0.287317  0.438584  1
  Ni  Ni114  1  0.687745  0.007385  0.423512  1
  Ni  Ni115  1  0.854412  0.340719  0.423512  1
  Ni  Ni116  1  0.030719  0.059741  0.408806  1
  Ni  Ni117  1  0.011450  0.287317  0.438584  1
  Ni  Ni118  1  0.187745  0.007385  0.423512  1
  Ni  Ni119  1  0.364053  0.726408  0.408806  1
  Ni  Ni120  1  0.344783  0.953984  0.438584  1
  Ni  Ni121  1  0.521078  0.674052  0.423512  1
  Ni  Ni122  1  0.678117  0.620651  0.438584  1
  Ni  Ni123  1  0.864053  0.726408  0.408806  1
  Ni  Ni124  1  0.844783  0.953984  0.438584  1
  Ni  Ni125  1  0.021078  0.674052  0.423512  1
  Ni  Ni126  1  0.178117  0.620651  0.438584  1
  Ni  Ni127  1  0.587911  0.124937  0.449199  1
  Ni  Ni128  1  0.087911  0.124937  0.449199  1
  Ni  Ni129  1  0.274030  0.231035  0.419444  1
  Ni  Ni130  1  0.421244  0.791603  0.449199  1
  Ni  Ni131  1  0.431011  0.178152  0.434421  1
  Ni  Ni132  1  0.607364  0.897701  0.419444  1
  Ni  Ni133  1  0.774030  0.231035  0.419444  1
  Ni  Ni134  1  0.921244  0.791603  0.449199  1
  Ni  Ni135  1  0.931010  0.178152  0.434421  1
  Ni  Ni136  1  0.107364  0.897701  0.419444  1
  Ni  Ni137  1  0.254578  0.458270  0.449199  1
  Ni  Ni138  1  0.264344  0.844818  0.434421  1
  Ni  Ni139  1  0.440697  0.564368  0.419444  1
  Ni  Ni140  1  0.597677  0.511485  0.434421  1
  Ni  Ni141  1  0.754577  0.458270  0.449199  1
  Ni  Ni142  1  0.764344  0.844818  0.434421  1
  Ni  Ni143  1  0.940697  0.564368  0.419444  1
  Ni  Ni144  1  0.097677  0.511485  0.434421  1
  Ni  Ni145  1  0.668402  0.234295  0.453613  1
  Ni  Ni146  1  0.168402  0.234295  0.453613  1
  Ni  Ni147  1  0.325412  0.181404  0.468549  1
  Ni  Ni148  1  0.501735  0.900961  0.453613  1
  Ni  Ni149  1  0.482498  0.128336  0.483504  1
  Ni  Ni150  1  0.658745  0.848071  0.468549  1
  Ni  Ni151  1  0.825412  0.181404  0.468549  1
  Ni  Ni152  1  1.001735  0.900961  0.453613  1
  Ni  Ni153  1  0.982498  0.128336  0.483504  1
  Ni  Ni154  1  0.158745  0.848071  0.468549  1
  Ni  Ni155  1  0.335068  0.567628  0.453613  1
  Ni  Ni156  1  0.315831  0.795003  0.483504  1
  Ni  Ni157  1  0.492079  0.514737  0.468549  1
  Ni  Ni158  1  0.649164  0.461670  0.483504  1
  Ni  Ni159  1  0.835068  0.567628  0.453613  1
  Ni  Ni160  1  0.815831  0.795003  0.483504  1
  Ni  Ni161  1  0.992079  0.514737  0.468549  1
  Ni  Ni162  1  0.149164  0.461670  0.483504  1
  Ni  Ni163  1  0.558935  0.966214  0.494007  1
  Ni  Ni164  1  0.058935  0.966214  0.494007  1
  Ni  Ni165  1  0.244993  0.072067  0.464059  1
  Ni  Ni166  1  0.392269  0.632881  0.494007  1
  Ni  Ni167  1  0.401961  0.019132  0.479051  1
  Ni  Ni168  1  0.578327  0.738734  0.464059  1
  Ni  Ni169  1  0.744993  0.072067  0.464059  1
  Ni  Ni170  1  0.892269  0.632881  0.494007  1
  Ni  Ni171  1  0.901961  0.019132  0.479051  1
  Ni  Ni172  1  0.078327  0.738734  0.464059  1
  Ni  Ni173  1  0.225602  0.299548  0.494007  1
  Ni  Ni174  1  0.235294  0.685798  0.479051  1
  Ni  Ni175  1  0.411660  0.405401  0.464059  1
  Ni  Ni176  1  0.568627  0.352465  0.479051  1
  Ni  Ni177  1  0.725602  0.299548  0.494007  1
  Ni  Ni178  1  0.735294  0.685798  0.479051  1
  Ni  Ni179  1  0.911660  0.405401  0.464059  1
  Ni  Ni180  1  0.068627  0.352465  0.479051  1
  Ni  Ni181  1  0.639549  0.075503  0.498366  1
  Ni  Ni182  1  0.139549  0.075503  0.498366  1
  Ni  Ni183  1  0.296523  0.022586  0.513322  1
  Ni  Ni184  1  0.472882  0.742170  0.498366  1
  Ni  Ni185  1  0.453491  0.969650  0.528315  1
  Ni  Ni186  1  0.629856  0.689253  0.513322  1
  Ni  Ni187  1  0.796523  0.022586  0.513322  1
  Ni  Ni188  1  0.972882  0.742170  0.498366  1
  Ni  Ni189  1  0.953491  0.969650  0.528315  1
  Ni  Ni190  1  0.129857  0.689253  0.513322  1
  Ni  Ni191  1  0.306215  0.408836  0.498366  1
  Ni  Ni192  1  0.286824  0.636317  0.528315  1
  Ni  Ni193  1  0.463190  0.355919  0.513322  1
  Ni  Ni194  1  0.620157  0.302984  0.528315  1
  Ni  Ni195  1  0.806215  0.408836  0.498366  1
  Ni  Ni196  1  0.786824  0.636317  0.528315  1
  Ni  Ni197  1  0.963190  0.355919  0.513322  1
  Ni  Ni198  1  0.120157  0.302984  0.528315  1
  Ni  Ni199  1  0.530082  0.807423  0.538761  1
  Ni  Ni200  1  0.030082  0.807423  0.538761  1
  Ni  Ni201  1  0.215986  0.913381  0.508869  1
  Ni  Ni202  1  0.363416  0.474090  0.538761  1
  Ni  Ni203  1  0.373072  0.860314  0.523824  1
  Ni  Ni204  1  0.549320  0.580048  0.508869  1
  Ni  Ni205  1  0.715986  0.913381  0.508869  1
  Ni  Ni206  1  0.863415  0.474090  0.538761  1
  Ni  Ni207  1  0.873072  0.860314  0.523824  1
  Ni  Ni208  1  0.049320  0.580048  0.508869  1
  Ni  Ni209  1  0.196749  0.140756  0.538761  1
  Ni  Ni210  1  0.206405  0.526980  0.523824  1
  Ni  Ni211  1  0.382653  0.246714  0.508869  1
  Ni  Ni212  1  0.539739  0.193647  0.523824  1
  Ni  Ni213  1  0.696749  0.140756  0.538761  1
  Ni  Ni214  1  0.706405  0.526980  0.523824  1
  Ni  Ni215  1  0.882653  0.246714  0.508869  1
  Ni  Ni216  1  0.039739  0.193647  0.523824  1
  Ni  Ni217  1  0.610573  0.916781  0.543174  1
  Ni  Ni218  1  0.110573  0.916781  0.543174  1
  Ni  Ni219  1  0.267474  0.863566  0.557952  1
  Ni  Ni220  1  0.443907  0.583448  0.543174  1
  Ni  Ni221  1  0.424454  0.810683  0.572929  1
  Ni  Ni222  1  0.600807  0.530232  0.557952  1
  Ni  Ni223  1  0.767473  0.863566  0.557952  1
  Ni  Ni224  1  0.943906  0.583448  0.543174  1
  Ni  Ni225  1  0.924454  0.810683  0.572929  1
  Ni  Ni226  1  0.100807  0.530232  0.557952  1
  Ni  Ni227  1  0.277240  0.250114  0.543174  1
  Ni  Ni228  1  0.257787  0.477350  0.572929  1
  Ni  Ni229  1  0.434140  0.196899  0.557952  1
  Ni  Ni230  1  0.591120  0.144016  0.572929  1
  Ni  Ni231  1  0.777240  0.250114  0.543174  1
  Ni  Ni232  1  0.757787  0.477350  0.572929  1
  Ni  Ni233  1  0.934140  0.196899  0.557952  1
  Ni  Ni234  1  0.091120  0.144016  0.572929  1
  Ni  Ni235  1  0.501098  0.648643  0.583568  1
  Ni  Ni236  1  1.001098  0.648643  0.583568  1
  Ni  Ni237  1  0.187034  0.754400  0.553789  1
  Ni  Ni238  1  0.334431  0.315310  0.583568  1
  Ni  Ni239  1  0.344072  0.700999  0.568861  1
  Ni  Ni240  1  0.520367  0.421067  0.553789  1
  Ni  Ni241  1  0.687034  0.754400  0.553789  1
  Ni  Ni242  1  0.834431  0.315310  0.583568  1
  Ni  Ni243  1  0.844072  0.700999  0.568861  1
  Ni  Ni244  1  0.020367  0.421067  0.553789  1
  Ni  Ni245  1  0.167765  0.981977  0.583568  1
  Ni  Ni246  1  0.177405  0.367665  0.568861  1
  Ni  Ni247  1  0.353701  0.087734  0.553789  1
  Ni  Ni248  1  0.510739  0.034332  0.568861  1
  Ni  Ni249  1  0.667765  0.981977  0.583568  1
  Ni  Ni250  1  0.677406  0.367665  0.568861  1
  Ni  Ni251  1  0.853701  0.087734  0.553789  1
  Ni  Ni252  1  0.010739  0.034332  0.568861  1
  Ni  Ni253  1  0.581225  0.758585  0.587986  1
  Ni  Ni254  1  0.081225  0.758585  0.587986  1
  Ni  Ni255  1  0.238142  0.704239  0.603105  1
  Ni  Ni256  1  0.414559  0.425252  0.587986  1
  Ni  Ni257  1  0.396238  0.650073  0.618181  1
  Ni  Ni258  1  0.571475  0.370905  0.603105  1
  Ni  Ni259  1  0.738142  0.704239  0.603105  1
  Ni  Ni260  1  0.914559  0.425252  0.587986  1
  Ni  Ni261  1  0.896238  0.650073  0.618181  1
  Ni  Ni262  1  0.071475  0.370905  0.603105  1
  Ni  Ni263  1  0.247892  0.091919  0.587986  1
  Ni  Ni264  1  0.229572  0.316740  0.618181  1
  Ni  Ni265  1  0.404808  0.037572  0.603105  1
  Ni  Ni266  1  0.562905  0.983407  0.618181  1
  Ni  Ni267  1  0.747892  0.091919  0.587986  1
  Ni  Ni268  1  0.729572  0.316740  0.618181  1
  Ni  Ni269  1  0.904808  0.037572  0.603105  1
  Ni  Ni270  1  0.062905  0.983407  0.618181  1
  Ni  Ni271  1  0.471994  0.490309  0.628747  1
  Ni  Ni272  1  0.971994  0.490309  0.628747  1
  Ni  Ni273  1  0.157814  0.595623  0.598306  1
  Ni  Ni274  1  0.305328  0.156976  0.628747  1
  Ni  Ni275  1  0.314208  0.542701  0.613635  1
  Ni  Ni276  1  0.491147  0.262289  0.598306  1
  Ni  Ni277  1  0.657814  0.595623  0.598306  1
  Ni  Ni278  1  0.805328  0.156976  0.628747  1
  Ni  Ni279  1  0.814208  0.542700  0.613635  1
  Ni  Ni280  1  0.991147  0.262289  0.598306  1
  Ni  Ni281  1  0.138661  0.823643  0.628747  1
  Ni  Ni282  1  0.147541  0.209367  0.613635  1
  Ni  Ni283  1  0.324481  0.928956  0.598306  1
  Ni  Ni284  1  0.480875  0.876034  0.613635  1
  Ni  Ni285  1  0.638661  0.823643  0.628747  1
  Ni  Ni286  1  0.647541  0.209367  0.613635  1
  Ni  Ni287  1  0.824481  0.928956  0.598306  1
  Ni  Ni288  1  0.980875  0.876034  0.613635  1
  Ni  Ni289  1  0.553176  0.598267  0.633620  1
  Ni  Ni290  1  0.053176  0.598267  0.633620  1
  Ni  Ni291  1  0.208653  0.546223  0.648273  1
  Ni  Ni292  1  0.386509  0.264933  0.633620  1
  Ni  Ni293  1  0.362148  0.499043  0.662631  1
  Ni  Ni294  1  0.541986  0.212890  0.648273  1
  Ni  Ni295  1  0.708653  0.546223  0.648273  1
  Ni  Ni296  1  0.886510  0.264934  0.633620  1
  Ni  Ni297  1  0.862149  0.499043  0.662631  1
  Ni  Ni298  1  0.041987  0.212890  0.648273  1
  Ni  Ni299  1  0.219843  0.931600  0.633620  1
  Ni  Ni300  1  0.195482  0.165710  0.662631  1
  Ni  Ni301  1  0.375320  0.879556  0.648273  1
  Ni  Ni302  1  0.528815  0.832376  0.662631  1
  Ni  Ni303  1  0.719843  0.931600  0.633620  1
  Ni  Ni304  1  0.695481  0.165709  0.662631  1
  Ni  Ni305  1  0.875320  0.879556  0.648273  1
  Ni  Ni306  1  0.028815  0.832376  0.662631  1
  Ni  Ni307  1  0.443478  0.343840  0.670402  1
  Ni  Ni308  1  0.943478  0.343840  0.670402  1
  Ni  Ni309  1  0.131146  0.431483  0.643490  1
  Ni  Ni310  1  0.276811  0.010506  0.670402  1
  Ni  Ni311  1  0.286272  0.384512  0.657733  1
  Ni  Ni312  1  0.464479  0.098150  0.643490  1
  Ni  Ni313  1  0.631146  0.431483  0.643490  1
  Ni  Ni314  1  0.776811  0.010507  0.670402  1
  Ni  Ni315  1  0.786273  0.384513  0.657733  1
  Ni  Ni316  1  0.964479  0.098150  0.643490  1
  Ni  Ni317  1  0.110144  0.677173  0.670402  1
  Ni  Ni318  1  0.119606  0.051179  0.657733  1
  Ni  Ni319  1  0.297813  0.764816  0.643490  1
  Ni  Ni320  1  0.452939  0.717846  0.657733  1
  Ni  Ni321  1  0.610144  0.677173  0.670402  1
  Ni  Ni322  1  0.619606  0.051179  0.657733  1
  Ni  Ni323  1  0.797812  0.764816  0.643490  1
  Ni  Ni324  1  0.952939  0.717846  0.657733  1
  Ni  Ni325  1  0.521602  0.444078  0.676070  1
  Ni  Ni326  1  0.021602  0.444078  0.676070  1
  Ni  Ni327  1  0.185155  0.386870  0.691624  1
  Ni  Ni328  1  0.354936  0.110744  0.676070  1
  Ni  Ni329  1  0.340220  0.332383  0.703004  1
  Ni  Ni330  1  0.518488  0.053536  0.691624  1
  Ni  Ni331  1  0.685155  0.386868  0.691624  1
  Ni  Ni332  1  0.854935  0.110745  0.676070  1
  Ni  Ni333  1  0.840220  0.332380  0.703004  1
  Ni  Ni334  1  0.018489  0.053535  0.691624  1
  Ni  Ni335  1  0.188269  0.777411  0.676070  1
  Ni  Ni336  1  0.173553  -0.000953  0.703004  1
  Ni  Ni337  1  0.351822  0.720202  0.691624  1
  Ni  Ni338  1  0.506887  0.665713  0.703004  1
  Ni  Ni339  1  0.688269  0.777411  0.676070  1
  Ni  Ni340  1  0.673554  -0.000951  0.703004  1
  Ni  Ni341  1  0.851822  0.720203  0.691624  1
  Ni  Ni342  1  0.006887  0.665716  0.703004  1
  Ni  Ni343  1  0.435154  0.199955  0.685686  1
  Ni  Ni344  1  0.935155  0.199955  0.685686  1
  Ni  Ni345  1  0.097169  0.283698  0.685950  1
  Ni  Ni346  1  0.268488  0.866621  0.685686  1
  Ni  Ni347  1  0.260196  0.233433  0.696889  1
  Ni  Ni348  1  0.430502  0.950365  0.685950  1
  Ni  Ni349  1  0.597168  0.283698  0.685950  1
  Ni  Ni350  1  0.768487  0.866622  0.685686  1
  Ni  Ni351  1  0.760195  0.233431  0.696889  1
  Ni  Ni352  1  0.930502  0.950364  0.685950  1
  Ni  Ni353  1  0.101821  0.533289  0.685686  1
  Ni  Ni354  1  0.093528  0.900097  0.696889  1
  Ni  Ni355  1  0.263835  0.617031  0.685950  1
  Ni  Ni356  1  0.426861  0.566764  0.696889  1
  Ni  Ni357  1  0.601821  0.533288  0.685686  1
  Ni  Ni358  1  0.593529  0.900099  0.696889  1
  Ni  Ni359  1  0.763836  0.617031  0.685950  1
  Ni  Ni360  1  0.926863  0.566766  0.696889  1
  H  H361  1  0.688611  0.673495  0.291976  1
  H  H362  1  0.188612  0.673495  0.291976  1
  H  H363  1  0.344824  0.633134  0.308903  1
  H  H364  1  0.521945  0.340161  0.291976  1
  H  H365  1  0.500625  0.718327  0.267435  1
  H  H366  1  0.678157  0.299800  0.308903  1
  H  H367  1  0.844824  0.633134  0.308904  1
  H  H368  1  0.021945  0.340161  0.291976  1
  H  H369  1  1.000625  0.718327  0.267435  1
  H  H370  1  0.178157  0.299800  0.308904  1
  H  H371  1  0.355278  0.006828  0.291976  1
  H  H372  1  0.333959  0.384993  0.267435  1
  H  H373  1  0.511490  0.966467  0.308904  1
  H  H374  1  0.667292  0.051660  0.267435  1
  H  H375  1  0.855278  0.006828  0.291976  1
  H  H376  1  0.833959  0.384993  0.267435  1
  H  H377  1  0.011490  0.966467  0.308903  1
  H  H378  1  0.167292  0.051660  0.267435  1
  H  H379  1  0.688717  0.788079  0.308505  1
  H  H380  1  0.188717  0.788079  0.308505  1
  H  H381  1  0.440352  0.859315  0.264288  1
  H  H382  1  0.522050  0.454746  0.308505  1
  H  H383  1  0.521785  0.840252  0.293133  1
  H  H384  1  0.773686  0.525982  0.264288  1
  H  H385  1  0.940352  0.859315  0.264288  1
  H  H386  1  0.022050  0.454746  0.308505  1
  H  H387  1  0.021785  0.840252  0.293133  1
  H  H388  1  0.273685  0.525981  0.264288  1
  H  H389  1  0.355384  0.121413  0.308505  1
  H  H390  1  0.355119  0.506918  0.293133  1
  H  H391  1  0.607019  0.192648  0.264288  1
  H  H392  1  0.688452  0.173585  0.293133  1
  H  H393  1  0.855384  0.121413  0.308505  1
  H  H394  1  0.855119  0.506918  0.293133  1
  H  H395  1  0.107019  0.192648  0.264288  1
  H  H396  1  0.188452  0.173585  0.293133  1
  H  H397  1  0.707936  0.890650  0.273092  1
  H  H398  1  0.207936  0.890650  0.273092  1
  H  H399  1  0.348182  0.832193  0.292741  1
  H  H400  1  0.541269  0.557316  0.273092  1
  H  H401  1  0.518946  0.759232  0.305034  1
  H  H402  1  0.681515  0.498860  0.292741  1
  H  H403  1  0.848182  0.832193  0.292741  1
  H  H404  1  0.041269  0.557316  0.273092  1
  H  H405  1  0.018946  0.759232  0.305034  1
  H  H406  1  0.181515  0.498860  0.292741  1
  H  H407  1  0.374602  0.223983  0.273092  1
  H  H408  1  0.352279  0.425899  0.305034  1
  H  H409  1  0.514849  0.165527  0.292741  1
  H  H410  1  0.685613  0.092565  0.305034  1
  H  H411  1  0.874602  0.223983  0.273092  1
  H  H412  1  0.852279  0.425899  0.305034  1
  H  H413  1  0.014849  0.165527  0.292741  1
  H  H414  1  0.185613  0.092565  0.305034  1
  H  H415  1  0.771915  0.748272  0.286854  1
  H  H416  1  0.271915  0.748272  0.286854  1
  H  H417  1  0.431773  0.706428  0.302413  1
  H  H418  1  0.605249  0.414938  0.286854  1
  H  H419  1  0.601015  0.813364  0.272310  1
  H  H420  1  0.765107  0.373095  0.302413  1
  H  H421  1  0.931773  0.706428  0.302413  1
  H  H422  1  0.105249  0.414938  0.286854  1
  H  H423  1  0.101015  0.813364  0.272310  1
  H  H424  1  0.265107  0.373094  0.302413  1
  H  H425  1  0.438582  0.081605  0.286854  1
  H  H426  1  0.434349  0.480031  0.272310  1
  H  H427  1  0.598440  0.039761  0.302413  1
  H  H428  1  0.767682  0.146697  0.272310  1
  H  H429  1  0.938582  0.081605  0.286854  1
  H  H430  1  0.934349  0.480031  0.272310  1
  H  H431  1  0.098440  0.039761  0.302413  1
  H  H432  1  0.267682  0.146697  0.272310  1
  H  H433  1  0.835198  0.669975  0.260410  1
  H  H434  1  0.335198  0.669975  0.260410  1
  H  H435  1  0.438062  0.632728  0.272828  1
  H  H436  1  0.668531  0.336642  0.260409  1
  H  H437  1  0.602167  0.589421  0.286351  1
  H  H438  1  0.771395  0.299394  0.272828  1
  H  H439  1  0.938062  0.632727  0.272828  1
  H  H440  1  0.168531  0.336642  0.260410  1
  H  H441  1  0.102168  0.589421  0.286351  1
  H  H442  1  0.271395  0.299394  0.272828  1
  H  H443  1  0.501864  0.003308  0.260410  1
  H  H444  1  0.435501  0.256087  0.286351  1
  H  H445  1  0.604728  0.966061  0.272828  1
  H  H446  1  0.768834  0.922754  0.286351  1
  H  H447  1  0.001864  0.003309  0.260409  1
  H  H448  1  0.935501  0.256087  0.286351  1
  H  H449  1  0.104728  0.966061  0.272828  1
  H  H450  1  0.268834  0.922754  0.286351  1
  H  H451  1  0.764384  0.586702  0.302888  1
  H  H452  1  0.264384  0.586702  0.302888  1
  H  H453  1  0.376328  0.780147  0.261884  1
  H  H454  1  0.597717  0.253369  0.302888  1
  H  H455  1  0.624313  0.722548  0.270169  1
  H  H456  1  0.709662  0.446814  0.261884  1
  H  H457  1  0.876328  0.780147  0.261884  1
  H  H458  1  0.097717  0.253369  0.302888  1
  H  H459  1  0.124312  0.722549  0.270169  1
  H  H460  1  0.209661  0.446814  0.261884  1
  H  H461  1  0.431050  0.920036  0.302888  1
  H  H462  1  0.457646  0.389215  0.270169  1
  H  H463  1  0.542995  0.113480  0.261884  1
  H  H464  1  0.790979  0.055882  0.270169  1
  H  H465  1  0.931050  0.920035  0.302888  1
  H  H466  1  0.957646  0.389215  0.270169  1
  H  H467  1  0.042995  0.113481  0.261884  1
  H  H468  1  0.290979  0.055882  0.270169  1
  H  H469  1  0.646976  0.534012  0.336819  1
  H  H470  1  0.146976  0.534012  0.336819  1
  H  H471  1  0.318240  0.478869  0.355685  1
  H  H472  1  0.480309  0.200679  0.336819  1
  H  H473  1  0.509106  0.576681  0.321105  1
  H  H474  1  0.651573  0.145536  0.355685  1
  H  H475  1  0.818240  0.478869  0.355685  1
  H  H476  1  0.980309  0.200679  0.336819  1
  H  H477  1  0.009106  0.576681  0.321105  1
  H  H478  1  0.151573  0.145536  0.355685  1
  H  H479  1  0.313643  0.867345  0.336819  1
  H  H480  1  0.342439  0.243348  0.321105  1
  H  H481  1  0.484907  0.812202  0.355685  1
  H  H482  1  0.675773  0.910014  0.321105  1
  H  H483  1  0.813643  0.867345  0.336819  1
  H  H484  1  0.842439  0.243348  0.321105  1
  H  H485  1  0.984907  0.812202  0.355685  1
  H  H486  1  0.175773  0.910014  0.321105  1
  H  H487  1  0.650543  0.630418  0.352980  1
  H  H488  1  0.150543  0.630418  0.352980  1
  H  H489  1  0.327247  0.741502  0.320466  1
  H  H490  1  0.483876  0.297084  0.352980  1
  H  H491  1  0.491186  0.683432  0.336721  1
  H  H492  1  0.660580  0.408168  0.320466  1
  H  H493  1  0.827247  0.741502  0.320466  1
  H  H494  1  0.983876  0.297084  0.352980  1
  H  H495  1  0.991186  0.683432  0.336721  1
  H  H496  1  0.160580  0.408168  0.320466  1
  H  H497  1  0.317209  0.963751  0.352980  1
  H  H498  1  0.324520  0.350099  0.336721  1
  H  H499  1  0.493914  0.074835  0.320466  1
  H  H500  1  0.657853  0.016766  0.336721  1
  H  H501  1  0.817209  0.963751  0.352980  1
  H  H502  1  0.824519  0.350099  0.336721  1
  H  H503  1  0.993914  0.074835  0.320466  1
  H  H504  1  0.157853  0.016766  0.336721  1
  H  H505  1  0.667739  0.712953  0.324616  1
  H  H506  1  0.167739  0.712953  0.324616  1
  H  H507  1  0.327230  0.659626  0.341897  1
  H  H508  1  0.501072  0.379620  0.324616  1
  H  H509  1  0.480038  0.613034  0.356436  1
  H  H510  1  0.660564  0.326293  0.341897  1
  H  H511  1  0.827231  0.659626  0.341897  1
  H  H512  1  1.001072  0.379620  0.324616  1
  H  H513  1  0.980038  0.613034  0.356436  1
  H  H514  1  0.160564  0.326293  0.341897  1
  H  H515  1  0.334406  0.046287  0.324616  1
  H  H516  1  0.313372  0.279701  0.356436  1
  H  H517  1  0.493897  0.992959  0.341897  1
  H  H518  1  0.646705  0.946368  0.356436  1
  H  H519  1  0.834406  0.046287  0.324616  1
  H  H520  1  0.813372  0.279701  0.356436  1
  H  H521  1  0.993897  0.992959  0.341897  1
  H  H522  1  0.146705  0.946368  0.356436  1
  H  H523  1  0.746000  0.609860  0.337291  1
  H  H524  1  0.246000  0.609860  0.337291  1
  H  H525  1  0.403963  0.561936  0.350730  1
  H  H526  1  0.579333  0.276527  0.337291  1
  H  H527  1  0.590722  0.643696  0.313270  1
  H  H528  1  0.737296  0.228602  0.350730  1
  H  H529  1  0.903963  0.561936  0.350730  1
  H  H530  1  0.079333  0.276527  0.337291  1
  H  H531  1  0.090722  0.643696  0.313270  1
  H  H532  1  0.237296  0.228602  0.350730  1
  H  H533  1  0.412667  0.943193  0.337291  1
  H  H534  1  0.424055  0.310363  0.313270  1
  H  H535  1  0.570630  0.895269  0.350730  1
  H  H536  1  0.757389  0.977030  0.313270  1
  H  H537  1  0.912667  0.943193  0.337291  1
  H  H538  1  0.924055  0.310363  0.313270  1
  H  H539  1  0.070630  0.895269  0.350730  1
  H  H540  1  0.257389  0.977030  0.313270  1
  H  H541  1  0.753670  0.517055  0.326191  1
  H  H542  1  0.253670  0.517055  0.326191  1
  H  H543  1  0.412095  0.463206  0.338977  1
  H  H544  1  0.587003  0.183722  0.326191  1
  H  H545  1  0.564777  0.413761  0.357480  1
  H  H546  1  0.745428  0.129873  0.338977  1
  H  H547  1  0.912095  0.463206  0.338977  1
  H  H548  1  0.087003  0.183722  0.326191  1
  H  H549  1  0.064777  0.413761  0.357480  1
  H  H550  1  0.245429  0.129873  0.338977  1
  H  H551  1  0.420336  0.850389  0.326191  1
  H  H552  1  0.398110  0.080427  0.357480  1
  H  H553  1  0.578762  0.796540  0.338977  1
  H  H554  1  0.731443  0.747094  0.357480  1
  H  H555  1  0.920336  0.850388  0.326191  1
  H  H556  1  0.898110  0.080427  0.357480  1
  H  H557  1  0.078762  0.796540  0.338977  1
  H  H558  1  0.231443  0.747094  0.357480  1
  H  H559  1  0.734975  0.433111  0.350766  1
  H  H560  1  0.234975  0.433111  0.350766  1
  H  H561  1  0.423347  0.537597  0.317738  1
  H  H562  1  0.568308  0.099778  0.350766  1
  H  H563  1  0.575920  0.483875  0.336266  1
  H  H564  1  0.756680  0.204264  0.317738  1
  H  H565  1  0.923347  0.537597  0.317738  1
  H  H566  1  0.068308  0.099778  0.350766  1
  H  H567  1  0.075920  0.483875  0.336266  1
  H  H568  1  0.256680  0.204264  0.317738  1
  H  H569  1  0.401642  0.766445  0.350766  1
  H  H570  1  0.409253  0.150542  0.336266  1
  H  H571  1  0.590013  0.870930  0.317738  1
  H  H572  1  0.742587  0.817208  0.336266  1
  H  H573  1  0.901642  0.766445  0.350766  1
  H  H574  1  0.909253  0.150542  0.336266  1
  H  H575  1  0.090013  0.870930  0.317738  1
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  H  H1431  1  0.850302  0.209524  0.699633  1
  H  H1432  1  0.012871  0.949152  0.687340  1
  H  H1433  1  0.157215  0.484402  0.719281  1
  H  H1434  1  0.183635  0.876190  0.699633  1
  H  H1435  1  0.346204  0.615818  0.687340  1
  H  H1436  1  0.516968  0.542857  0.699633  1
  H  H1437  1  0.657215  0.484401  0.719281  1
  H  H1438  1  0.683635  0.876191  0.699633  1
  H  H1439  1  0.846205  0.615819  0.687340  1
  H  H1440  1  0.016969  0.542858  0.699633  1
