# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93736399
_cell_length_b   20.02188198
_cell_length_c   51.86487110
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.36826257
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H396
_cell_volume   8202.63082877
_cell_formula_units_Z   198
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
  H  H1  1  0.320049  0.815641  0.259783  1
  H  H2  1  0.986716  0.648975  0.259783  1
  H  H3  1  0.946219  0.808312  0.273704  1
  H  H4  1  0.320049  0.315641  0.259783  1
  H  H5  1  0.279552  0.474979  0.273704  1
  H  H6  1  0.371093  0.654380  0.247644  1
  H  H7  1  0.653383  0.482308  0.259783  1
  H  H8  1  0.612886  0.641646  0.273704  1
  H  H9  1  0.704426  0.821047  0.247644  1
  H  H10  1  0.986716  0.148975  0.259783  1
  H  H11  1  0.946219  0.308312  0.273704  1
  H  H12  1  1.037760  0.487714  0.247644  1
  H  H13  1  0.279552  0.974979  0.273704  1
  H  H14  1  0.371093  0.154380  0.247644  1
  H  H15  1  0.653383  0.982308  0.259783  1
  H  H16  1  0.612886  0.141646  0.273704  1
  H  H17  1  0.704426  0.321047  0.247644  1
  H  H18  1  1.037760  0.987714  0.247644  1
  H  H19  1  0.153383  0.732308  0.259783  1
  H  H20  1  0.820049  0.565641  0.259783  1
  H  H21  1  0.779552  0.724979  0.273704  1
  H  H22  1  0.153383  0.232308  0.259783  1
  H  H23  1  0.112886  0.391646  0.273704  1
  H  H24  1  0.204426  0.571047  0.247644  1
  H  H25  1  0.486716  0.398975  0.259783  1
  H  H26  1  0.446219  0.558312  0.273704  1
  H  H27  1  0.537760  0.737714  0.247644  1
  H  H28  1  0.820049  0.065641  0.259783  1
  H  H29  1  0.779552  0.224979  0.273704  1
  H  H30  1  0.871093  0.404380  0.247644  1
  H  H31  1  0.112886  0.891646  0.273704  1
  H  H32  1  0.204426  0.071047  0.247644  1
  H  H33  1  0.486716  0.898975  0.259783  1
  H  H34  1  0.446219  0.058312  0.273704  1
  H  H35  1  0.537760  0.237714  0.247644  1
  H  H36  1  0.871093  0.904380  0.247644  1
  H  H37  1  0.186245  0.793147  0.299690  1
  H  H38  1  0.852912  0.626481  0.299690  1
  H  H39  1  0.805968  0.785920  0.312544  1
  H  H40  1  0.186245  0.293147  0.299690  1
  H  H41  1  0.139302  0.452587  0.312544  1
  H  H42  1  0.229677  0.633911  0.286800  1
  H  H43  1  0.519579  0.459814  0.299690  1
  H  H44  1  0.472635  0.619254  0.312544  1
  H  H45  1  0.563010  0.800577  0.286800  1
  H  H46  1  0.852912  0.126481  0.299690  1
  H  H47  1  0.805968  0.285920  0.312544  1
  H  H48  1  0.896343  0.467244  0.286800  1
  H  H49  1  0.139302  0.952587  0.312544  1
  H  H50  1  0.229677  0.133911  0.286800  1
  H  H51  1  0.519579  0.959814  0.299690  1
  H  H52  1  0.472635  0.119254  0.312544  1
  H  H53  1  0.563010  0.300577  0.286800  1
  H  H54  1  0.896343  0.967244  0.286800  1
  H  H55  1  1.019579  0.709814  0.299690  1
  H  H56  1  0.686245  0.543147  0.299690  1
  H  H57  1  0.639302  0.702587  0.312544  1
  H  H58  1  1.019579  0.209814  0.299690  1
  H  H59  1  0.972635  0.369254  0.312544  1
  H  H60  1  1.063010  0.550577  0.286800  1
  H  H61  1  0.352912  0.376481  0.299690  1
  H  H62  1  0.305968  0.535920  0.312544  1
  H  H63  1  0.396343  0.717244  0.286800  1
  H  H64  1  0.686245  0.043147  0.299690  1
  H  H65  1  0.639302  0.202587  0.312544  1
  H  H66  1  0.729677  0.383911  0.286800  1
  H  H67  1  0.972635  0.869254  0.312544  1
  H  H68  1  1.063010  0.050577  0.286800  1
  H  H69  1  0.352912  0.876481  0.299690  1
  H  H70  1  0.305968  0.035920  0.312544  1
  H  H71  1  0.396343  0.217244  0.286800  1
  H  H72  1  0.729677  0.883911  0.286800  1
  H  H73  1  1.047258  0.771148  0.338570  1
  H  H74  1  0.713925  0.604482  0.338570  1
  H  H75  1  0.668022  0.763692  0.351615  1
  H  H76  1  1.047258  0.271148  0.338570  1
  H  H77  1  1.001355  0.430359  0.351615  1
  H  H78  1  0.093255  0.611665  0.325679  1
  H  H79  1  0.380592  0.437815  0.338570  1
  H  H80  1  0.334689  0.597026  0.351615  1
  H  H81  1  0.426588  0.778332  0.325679  1
  H  H82  1  0.713925  0.104482  0.338570  1
  H  H83  1  0.668022  0.263692  0.351615  1
  H  H84  1  0.759922  0.444998  0.325679  1
  H  H85  1  1.001355  0.930359  0.351615  1
  H  H86  1  0.093255  0.111665  0.325679  1
  H  H87  1  0.380592  0.937815  0.338570  1
  H  H88  1  0.334689  0.097026  0.351615  1
  H  H89  1  0.426588  0.278332  0.325679  1
  H  H90  1  0.759922  0.944998  0.325679  1
  H  H91  1  0.880592  0.687815  0.338570  1
  H  H92  1  0.547258  0.521148  0.338570  1
  H  H93  1  0.501355  0.680359  0.351615  1
  H  H94  1  0.880592  0.187815  0.338570  1
  H  H95  1  0.834689  0.347026  0.351615  1
  H  H96  1  0.926588  0.528332  0.325679  1
  H  H97  1  0.213925  0.354482  0.338570  1
  H  H98  1  0.168022  0.513692  0.351615  1
  H  H99  1  0.259922  0.694998  0.325679  1
  H  H100  1  0.547258  0.021148  0.338570  1
  H  H101  1  0.501355  0.180359  0.351615  1
  H  H102  1  0.593255  0.361665  0.325679  1
  H  H103  1  0.834689  0.847026  0.351615  1
  H  H104  1  0.926588  0.028332  0.325679  1
  H  H105  1  0.213925  0.854482  0.338570  1
  H  H106  1  0.168022  0.013692  0.351615  1
  H  H107  1  0.259922  0.194998  0.325679  1
  H  H108  1  0.593255  0.861665  0.325679  1
  H  H109  1  0.909244  0.748968  0.377660  1
  H  H110  1  0.575910  0.582301  0.377660  1
  H  H111  1  0.529819  0.741569  0.390684  1
  H  H112  1  0.909244  0.248968  0.377660  1
  H  H113  1  0.863153  0.408236  0.390684  1
  H  H114  1  0.955071  0.589643  0.364660  1
  H  H115  1  0.242577  0.415635  0.377660  1
  H  H116  1  0.196486  0.574902  0.390684  1
  H  H117  1  0.288405  0.756309  0.364660  1
  H  H118  1  0.575910  0.082301  0.377660  1
  H  H119  1  0.529819  0.241569  0.390684  1
  H  H120  1  0.621738  0.422976  0.364660  1
  H  H121  1  0.863153  0.908236  0.390684  1
  H  H122  1  0.955071  0.089643  0.364660  1
  H  H123  1  0.242577  0.915635  0.377660  1
  H  H124  1  0.196486  0.074902  0.390684  1
  H  H125  1  0.288405  0.256309  0.364660  1
  H  H126  1  0.621738  0.922976  0.364660  1
  H  H127  1  0.742577  0.665635  0.377660  1
  H  H128  1  0.409244  0.498968  0.377660  1
  H  H129  1  0.363153  0.658236  0.390684  1
  H  H130  1  0.742577  0.165635  0.377660  1
  H  H131  1  0.696486  0.324902  0.390684  1
  H  H132  1  0.788405  0.506309  0.364660  1
  H  H133  1  1.075910  0.332301  0.377660  1
  H  H134  1  1.029819  0.491569  0.390684  1
  H  H135  1  0.121738  0.672976  0.364660  1
  H  H136  1  0.409244  0.998968  0.377660  1
  H  H137  1  0.363153  0.158236  0.390684  1
  H  H138  1  0.455071  0.339643  0.364660  1
  H  H139  1  0.696486  0.824902  0.390684  1
  H  H140  1  0.788405  1.006309  0.364660  1
  H  H141  1  1.075910  0.832301  0.377660  1
  H  H142  1  1.029819  0.991569  0.390684  1
  H  H143  1  0.121738  0.172976  0.364660  1
  H  H144  1  0.455071  0.839643  0.364660  1
  H  H145  1  0.771115  0.726822  0.416734  1
  H  H146  1  0.437781  0.560155  0.416734  1
  H  H147  1  0.391755  0.719433  0.429759  1
  H  H148  1  0.771115  0.226822  0.416734  1
  H  H149  1  0.725089  0.386100  0.429759  1
  H  H150  1  0.817106  0.567518  0.403723  1
  H  H151  1  0.104448  0.393488  0.416734  1
  H  H152  1  1.058422  0.552767  0.429759  1
  H  H153  1  0.150440  0.734185  0.403723  1
  H  H154  1  0.437781  0.060155  0.416734  1
  H  H155  1  0.391755  0.219433  0.429759  1
  H  H156  1  0.483773  0.400852  0.403723  1
  H  H157  1  0.725089  0.886100  0.429759  1
  H  H158  1  0.817106  0.067518  0.403723  1
  H  H159  1  0.104448  0.893488  0.416734  1
  H  H160  1  1.058422  0.052767  0.429759  1
  H  H161  1  0.150440  0.234185  0.403723  1
  H  H162  1  0.483773  0.900852  0.403723  1
  H  H163  1  0.604448  0.643488  0.416734  1
  H  H164  1  0.271115  0.476822  0.416734  1
  H  H165  1  0.225089  0.636100  0.429759  1
  H  H166  1  0.604448  0.143488  0.416734  1
  H  H167  1  0.558422  0.302767  0.429759  1
  H  H168  1  0.650440  0.484185  0.403723  1
  H  H169  1  0.937781  0.310155  0.416734  1
  H  H170  1  0.891755  0.469433  0.429759  1
  H  H171  1  0.983773  0.650852  0.403723  1
  H  H172  1  0.271115  0.976822  0.416734  1
  H  H173  1  0.225089  0.136100  0.429759  1
  H  H174  1  0.317106  0.317518  0.403723  1
  H  H175  1  0.558422  0.802767  0.429759  1
  H  H176  1  0.650440  0.984185  0.403723  1
  H  H177  1  0.937781  0.810155  0.416734  1
  H  H178  1  0.891755  0.969433  0.429759  1
  H  H179  1  0.983773  0.150852  0.403723  1
  H  H180  1  0.317106  0.817518  0.403723  1
  H  H181  1  0.633031  0.704678  0.455808  1
  H  H182  1  0.299698  0.538011  0.455808  1
  H  H183  1  0.253685  0.697300  0.468828  1
  H  H184  1  0.633031  0.204678  0.455808  1
  H  H185  1  0.587019  0.363967  0.468828  1
  H  H186  1  0.679044  0.545389  0.442788  1
  H  H187  1  0.966365  0.371345  0.455808  1
  H  H188  1  0.920352  0.530634  0.468828  1
  H  H189  1  1.012377  0.712056  0.442788  1
  H  H190  1  0.299698  0.038011  0.455808  1
  H  H191  1  0.253685  0.197300  0.468828  1
  H  H192  1  0.345711  0.378722  0.442788  1
  H  H193  1  0.587019  0.863967  0.468828  1
  H  H194  1  0.679044  0.045389  0.442788  1
  H  H195  1  0.966365  0.871345  0.455808  1
  H  H196  1  0.920352  0.030634  0.468828  1
  H  H197  1  1.012377  0.212056  0.442788  1
  H  H198  1  0.345711  0.878722  0.442788  1
  H  H199  1  0.466365  0.621345  0.455808  1
  H  H200  1  0.133031  0.454678  0.455808  1
  H  H201  1  1.087019  0.613967  0.468828  1
  H  H202  1  0.466365  0.121345  0.455808  1
  H  H203  1  0.420352  0.280634  0.468828  1
  H  H204  1  0.512377  0.462056  0.442788  1
  H  H205  1  0.799698  0.288011  0.455808  1
  H  H206  1  0.753685  0.447300  0.468828  1
  H  H207  1  0.845711  0.628722  0.442788  1
  H  H208  1  0.133031  0.954678  0.455808  1
  H  H209  1  1.087019  0.113967  0.468828  1
  H  H210  1  0.179044  0.295389  0.442788  1
  H  H211  1  0.420352  0.780634  0.468828  1
  H  H212  1  0.512377  0.962056  0.442788  1
  H  H213  1  0.799698  0.788011  0.455808  1
  H  H214  1  0.753685  0.947300  0.468828  1
  H  H215  1  0.845711  0.128722  0.442788  1
  H  H216  1  0.179044  0.795389  0.442788  1
  H  H217  1  0.494948  0.682535  0.494882  1
  H  H218  1  0.161615  0.515868  0.494882  1
  H  H219  1  0.115623  0.675171  0.507892  1
  H  H220  1  0.494948  0.182535  0.494882  1
  H  H221  1  0.448956  0.341838  0.507892  1
  H  H222  1  0.540974  0.523256  0.481857  1
  H  H223  1  0.828281  0.349201  0.494882  1
  H  H224  1  0.782290  0.508505  0.507892  1
  H  H225  1  0.874307  0.689923  0.481857  1
  H  H226  1  0.161615  0.015868  0.494882  1
  H  H227  1  0.115623  0.175171  0.507892  1
  H  H228  1  0.207640  0.356590  0.481857  1
  H  H229  1  0.448956  0.841838  0.507892  1
  H  H230  1  0.540974  0.023256  0.481857  1
  H  H231  1  0.828281  0.849201  0.494882  1
  H  H232  1  0.782290  1.008505  0.507892  1
  H  H233  1  0.874307  0.189923  0.481857  1
  H  H234  1  0.207640  0.856590  0.481857  1
  H  H235  1  0.328281  0.599201  0.494882  1
  H  H236  1  0.994948  0.432535  0.494882  1
  H  H237  1  0.948956  0.591838  0.507892  1
  H  H238  1  0.328281  0.099201  0.494882  1
  H  H239  1  0.282290  0.258505  0.507892  1
  H  H240  1  0.374307  0.439923  0.481857  1
  H  H241  1  0.661615  0.265868  0.494882  1
  H  H242  1  0.615623  0.425171  0.507892  1
  H  H243  1  0.707640  0.606590  0.481857  1
  H  H244  1  0.994948  0.932535  0.494882  1
  H  H245  1  0.948956  0.091838  0.507892  1
  H  H246  1  1.040974  0.273256  0.481857  1
  H  H247  1  0.282290  0.758505  0.507892  1
  H  H248  1  0.374307  0.939923  0.481857  1
  H  H249  1  0.661615  0.765868  0.494882  1
  H  H250  1  0.615623  0.925171  0.507892  1
  H  H251  1  0.707640  0.106590  0.481857  1
  H  H252  1  1.040974  0.773256  0.481857  1
  H  H253  1  0.356819  0.660388  0.533955  1
  H  H254  1  1.023486  0.493722  0.533955  1
  H  H255  1  0.977658  0.653047  0.546955  1
  H  H256  1  0.356819  0.160388  0.533955  1
  H  H257  1  0.310991  0.319714  0.546955  1
  H  H258  1  0.402910  0.501121  0.520931  1
  H  H259  1  0.690152  0.327055  0.533955  1
  H  H260  1  0.644325  0.486380  0.546955  1
  H  H261  1  0.736243  0.667787  0.520931  1
  H  H262  1  1.023486  0.993722  0.533955  1
  H  H263  1  0.977658  0.153047  0.546955  1
  H  H264  1  1.069577  0.334454  0.520931  1
  H  H265  1  0.310991  0.819714  0.546955  1
  H  H266  1  0.402910  1.001121  0.520931  1
  H  H267  1  0.690152  0.827055  0.533955  1
  H  H268  1  0.644325  0.986380  0.546955  1
  H  H269  1  0.736243  0.167787  0.520931  1
  H  H270  1  1.069577  0.834454  0.520931  1
  H  H271  1  0.190152  0.577055  0.533955  1
  H  H272  1  0.856819  0.410388  0.533955  1
  H  H273  1  0.810991  0.569714  0.546955  1
  H  H274  1  0.190152  0.077055  0.533955  1
  H  H275  1  0.144325  0.236380  0.546955  1
  H  H276  1  0.236243  0.417787  0.520931  1
  H  H277  1  0.523486  0.243722  0.533955  1
  H  H278  1  0.477658  0.403047  0.546955  1
  H  H279  1  0.569577  0.584454  0.520931  1
  H  H280  1  0.856819  0.910388  0.533955  1
  H  H281  1  0.810991  0.069714  0.546955  1
  H  H282  1  0.902910  0.251121  0.520931  1
  H  H283  1  0.144325  0.736380  0.546955  1
  H  H284  1  0.236243  0.917787  0.520931  1
  H  H285  1  0.523486  0.743722  0.533955  1
  H  H286  1  0.477658  0.903047  0.546955  1
  H  H287  1  0.569577  0.084454  0.520931  1
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  H  H290  1  0.885471  0.471541  0.573046  1
  H  H291  1  0.839474  0.631025  0.585937  1
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  H  H293  1  0.172807  0.297691  0.585937  1
  H  H294  1  0.264707  0.478997  0.560000  1
  H  H295  1  0.552138  0.304875  0.573046  1
  H  H296  1  0.506141  0.464358  0.585937  1
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  H  H299  1  0.839474  0.131025  0.585937  1
  H  H300  1  0.931374  0.312331  0.560000  1
  H  H301  1  0.172807  0.797691  0.585937  1
  H  H302  1  0.264707  0.978997  0.560000  1
  H  H303  1  0.552138  0.804875  0.573046  1
  H  H304  1  0.506141  0.964358  0.585937  1
  H  H305  1  0.598041  0.145664  0.560000  1
  H  H306  1  0.931374  0.812331  0.560000  1
  H  H307  1  1.052138  0.554875  0.573046  1
  H  H308  1  0.718804  0.388208  0.573046  1
  H  H309  1  0.672807  0.547691  0.585937  1
  H  H310  1  1.052138  0.054875  0.573046  1
  H  H311  1  1.006141  0.214358  0.585937  1
  H  H312  1  0.098041  0.395664  0.560000  1
  H  H313  1  0.385471  0.221541  0.573046  1
  H  H314  1  0.339474  0.381025  0.585937  1
  H  H315  1  0.431374  0.562331  0.560000  1
  H  H316  1  0.718804  0.888208  0.573046  1
  H  H317  1  0.672807  0.047691  0.585937  1
  H  H318  1  0.764707  0.228997  0.560000  1
  H  H319  1  1.006141  0.714358  0.585937  1
  H  H320  1  0.098041  0.895664  0.560000  1
  H  H321  1  0.385471  0.721541  0.573046  1
  H  H322  1  0.339474  0.881025  0.585937  1
  H  H323  1  0.431374  0.062331  0.560000  1
  H  H324  1  0.764707  0.728997  0.560000  1
  H  H325  1  1.079817  0.616209  0.611926  1
  H  H326  1  0.746484  0.449542  0.611926  1
  H  H327  1  0.703052  0.608779  0.624816  1
  H  H328  1  1.079817  0.116209  0.611926  1
  H  H329  1  1.036386  0.275446  0.624816  1
  H  H330  1  0.126761  0.456769  0.599072  1
  H  H331  1  0.413150  0.282876  0.611926  1
  H  H332  1  0.369719  0.442112  0.624816  1
  H  H333  1  0.460094  0.623436  0.599072  1
  H  H334  1  0.746484  0.949542  0.611926  1
  H  H335  1  0.703052  0.108779  0.624816  1
  H  H336  1  0.793427  0.290103  0.599072  1
  H  H337  1  1.036386  0.775446  0.624816  1
  H  H338  1  0.126761  0.956769  0.599072  1
  H  H339  1  0.413150  0.782876  0.611926  1
  H  H340  1  0.369719  0.942112  0.624816  1
  H  H341  1  0.460094  0.123436  0.599072  1
  H  H342  1  0.793427  0.790103  0.599072  1
  H  H343  1  0.913150  0.532876  0.611926  1
  H  H344  1  0.579817  0.366209  0.611926  1
  H  H345  1  0.536386  0.525446  0.624816  1
  H  H346  1  0.913150  0.032876  0.611926  1
  H  H347  1  0.869719  0.192112  0.624816  1
  H  H348  1  0.960094  0.373436  0.599072  1
  H  H349  1  0.246484  0.199542  0.611926  1
  H  H350  1  0.203052  0.358779  0.624816  1
  H  H351  1  0.293427  0.540103  0.599072  1
  H  H352  1  0.579817  0.866209  0.611926  1
  H  H353  1  0.536386  0.025446  0.624816  1
  H  H354  1  0.626761  0.206769  0.599072  1
  H  H355  1  0.869719  0.692112  0.624816  1
  H  H356  1  0.960094  0.873436  0.599072  1
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  H  H358  1  0.203052  0.858779  0.624816  1
  H  H359  1  0.293427  0.040103  0.599072  1
  H  H360  1  0.626761  0.706769  0.599072  1
  H  H361  1  0.946013  0.593715  0.651832  1
  H  H362  1  0.612680  0.427048  0.651832  1
  H  H363  1  0.561636  0.588309  0.663972  1
  H  H364  1  0.946013  0.093715  0.651832  1
  H  H365  1  0.894969  0.254976  0.663972  1
  H  H366  1  0.986510  0.434377  0.637912  1
  H  H367  1  0.279346  0.260382  0.651832  1
  H  H368  1  0.228303  0.421643  0.663972  1
  H  H369  1  0.319843  0.601044  0.637912  1
  H  H370  1  0.612680  0.927048  0.651832  1
  H  H371  1  0.561636  0.088309  0.663972  1
  H  H372  1  0.653177  0.267711  0.637912  1
  H  H373  1  0.894969  0.754976  0.663972  1
  H  H374  1  0.986510  0.934377  0.637912  1
  H  H375  1  0.279346  0.760382  0.651832  1
  H  H376  1  0.228303  0.921643  0.663972  1
  H  H377  1  0.319843  0.101044  0.637912  1
  H  H378  1  0.653177  0.767711  0.637912  1
  H  H379  1  0.779346  0.510382  0.651832  1
  H  H380  1  0.446013  0.343715  0.651832  1
  H  H381  1  0.394969  0.504976  0.663972  1
  H  H382  1  0.779346  1.010382  0.651832  1
  H  H383  1  0.728303  0.171643  0.663972  1
  H  H384  1  0.819843  0.351044  0.637912  1
  H  H385  1  0.112680  0.177048  0.651832  1
  H  H386  1  1.061636  0.338309  0.663972  1
  H  H387  1  0.153177  0.517711  0.637912  1
  H  H388  1  0.446013  0.843715  0.651832  1
  H  H389  1  0.394969  1.004976  0.663972  1
  H  H390  1  0.486510  0.184377  0.637912  1
  H  H391  1  0.728303  0.671643  0.663972  1
  H  H392  1  0.819843  0.851044  0.637912  1
  H  H393  1  0.112680  0.677048  0.651832  1
  H  H394  1  1.061636  0.838309  0.663972  1
  H  H395  1  0.153177  0.017711  0.637912  1
  H  H396  1  0.486510  0.684377  0.637912  1
