# generated using pymatgen
data_Ti3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.40326553
_cell_length_b   40.65230631
_cell_length_c   46.90159665
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Al
_chemical_formula_sum   'Ti864 Al288'
_cell_volume   43930.1689202
_cell_formula_units_Z   288
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
  Ti  Ti1  1  0.466435  0.843592  0.318782  1
  Ti  Ti2  1  0.147080  0.694665  0.334696  1
  Ti  Ti3  1  0.068095  0.829306  0.359624  1
  Ti  Ti4  1  0.451715  0.343884  0.326516  1
  Ti  Ti5  1  0.423226  0.506280  0.371244  1
  Ti  Ti6  1  0.521526  0.704008  0.324567  1
  Ti  Ti7  1  0.804777  0.519190  0.341393  1
  Ti  Ti8  1  0.753668  0.661447  0.360495  1
  Ti  Ti9  1  0.845661  0.870990  0.307115  1
  Ti  Ti10  1  0.134184  0.174112  0.322030  1
  Ti  Ti11  1  0.094029  0.346384  0.385564  1
  Ti  Ti12  1  0.178926  0.532812  0.292208  1
  Ti  Ti13  1  0.413416  0.010154  0.393255  1
  Ti  Ti14  1  0.522846  0.201935  0.305065  1
  Ti  Ti15  1  0.803220  0.028398  0.354535  1
  Ti  Ti16  1  0.747908  0.164945  0.375458  1
  Ti  Ti17  1  0.845303  0.364243  0.308687  1
  Ti  Ti18  1  0.182443  0.032377  0.305063  1
  Ti  Ti19  1  0.488654  0.773214  0.332954  1
  Ti  Ti20  1  0.149952  0.602947  0.300818  1
  Ti  Ti21  1  0.106921  0.762683  0.347789  1
  Ti  Ti22  1  0.487372  0.272754  0.315595  1
  Ti  Ti23  1  0.455785  0.436564  0.360652  1
  Ti  Ti24  1  0.391549  0.576780  0.381676  1
  Ti  Ti25  1  0.821655  0.435683  0.319829  1
  Ti  Ti26  1  0.783579  0.589474  0.350939  1
  Ti  Ti27  1  0.727567  0.734986  0.361902  1
  Ti  Ti28  1  0.159547  0.103042  0.313755  1
  Ti  Ti29  1  0.122234  0.275453  0.382428  1
  Ti  Ti30  1  0.068065  0.415719  0.393080  1
  Ti  Ti31  1  0.446570  0.940300  0.382383  1
  Ti  Ti32  1  0.531616  0.115212  0.281507  1
  Ti  Ti33  1  0.805698  0.936529  0.318093  1
  Ti  Ti34  1  0.773113  0.096681  0.364952  1
  Ti  Ti35  1  0.869643  0.288033  0.306762  1
  Ti  Ti36  1  0.194780  0.963048  0.307738  1
  Ti  Ti37  1  0.256980  0.824374  0.310361  1
  Ti  Ti38  1  0.924525  0.645701  0.278978  1
  Ti  Ti39  1  0.874997  0.804592  0.323347  1
  Ti  Ti40  1  0.252636  0.325614  0.299613  1
  Ti  Ti41  1  0.195688  0.467909  0.313617  1
  Ti  Ti42  1  0.169167  0.628263  0.354944  1
  Ti  Ti43  1  0.603056  0.490006  0.319104  1
  Ti  Ti44  1  0.547011  0.633222  0.338328  1
  Ti  Ti45  1  0.510824  0.802149  0.388467  1
  Ti  Ti46  1  0.922586  0.145934  0.294489  1
  Ti  Ti47  1  0.889987  0.315728  0.358968  1
  Ti  Ti48  1  0.839703  0.461364  0.373472  1
  Ti  Ti49  1  0.211009  0.988327  0.361289  1
  Ti  Ti50  1  0.174581  0.132270  0.368934  1
  Ti  Ti51  1  0.577841  0.982159  0.294072  1
  Ti  Ti52  1  0.542341  0.140154  0.332399  1
  Ti  Ti53  1  0.504152  0.300544  0.369896  1
  Ti  Ti54  1  0.830515  0.964101  0.371861  1
  Ti  Ti55  1  0.251150  0.764393  0.400105  1
  Ti  Ti56  1  0.899757  0.583329  0.369330  1
  Ti  Ti57  1  0.966517  0.761087  0.296479  1
  Ti  Ti58  1  0.235584  0.271596  0.405373  1
  Ti  Ti59  1  0.314258  0.438525  0.310749  1
  Ti  Ti60  1  0.287640  0.602018  0.352310  1
  Ti  Ti61  1  0.559044  0.410870  0.390550  1
  Ti  Ti62  1  0.642987  0.597380  0.298686  1
  Ti  Ti63  1  0.614116  0.759364  0.338443  1
  Ti  Ti64  1  0.891561  0.093164  0.384487  1
  Ti  Ti65  1  0.983823  0.280840  0.325874  1
  Ti  Ti66  1  0.936744  0.429251  0.340965  1
  Ti  Ti67  1  0.303725  0.941704  0.329922  1
  Ti  Ti68  1  0.274050  0.101840  0.338584  1
  Ti  Ti69  1  0.698039  0.958686  0.291581  1
  Ti  Ti70  1  0.632324  0.094309  0.312885  1
  Ti  Ti71  1  0.620896  0.272125  0.368263  1
  Ti  Ti72  1  0.949979  0.945790  0.370443  1
  Ti  Ti73  1  0.339583  0.869332  0.320013  1
  Ti  Ti74  1  0.004939  0.693338  0.286318  1
  Ti  Ti75  1  0.956295  0.851649  0.331408  1
  Ti  Ti76  1  0.344563  0.369101  0.302690  1
  Ti  Ti77  1  0.284383  0.508918  0.321188  1
  Ti  Ti78  1  0.252552  0.670821  0.364055  1
  Ti  Ti79  1  0.668882  0.528009  0.291742  1
  Ti  Ti80  1  0.632351  0.690496  0.350860  1
  Ti  Ti81  1  0.576924  0.827750  0.346037  1
  Ti  Ti82  1  0.010492  0.209914  0.319049  1
  Ti  Ti83  1  0.956209  0.354060  0.327358  1
  Ti  Ti84  1  0.919029  0.510729  0.361610  1
  Ti  Ti85  1  0.287495  0.015084  0.335721  1
  Ti  Ti86  1  0.247452  0.172358  0.343828  1
  Ti  Ti87  1  0.667694  0.025853  0.301954  1
  Ti  Ti88  1  0.622916  0.181101  0.336785  1
  Ti  Ti89  1  0.590807  0.341681  0.378806  1
  Ti  Ti90  1  0.916757  0.016925  0.379189  1
  Ti  Ti91  1  0.399825  0.732257  0.325109  1
  Ti  Ti92  1  0.065161  0.563282  0.291049  1
  Ti  Ti93  1  0.023721  0.718460  0.339350  1
  Ti  Ti94  1  0.404221  0.229813  0.307002  1
  Ti  Ti95  1  0.369188  0.395233  0.354216  1
  Ti  Ti96  1  0.306440  0.535030  0.374829  1
  Ti  Ti97  1  0.728005  0.403215  0.309942  1
  Ti  Ti98  1  0.691317  0.552692  0.342727  1
  Ti  Ti99  1  0.654889  0.714643  0.406374  1
  Ti  Ti100  1  0.063265  0.069281  0.303573  1
  Ti  Ti101  1  0.030110  0.237566  0.373678  1
  Ti  Ti102  1  0.977776  0.379584  0.384022  1
  Ti  Ti103  1  0.361123  0.896533  0.373757  1
  Ti  Ti104  1  0.308332  0.048045  0.379870  1
  Ti  Ti105  1  0.722599  0.892217  0.309232  1
  Ti  Ti106  1  0.686769  0.053109  0.356576  1
  Ti  Ti107  1  0.775864  0.247419  0.298089  1
  Ti  Ti108  1  0.107816  0.921383  0.298885  1
  Ti  Ti109  1  0.422109  0.757933  0.380689  1
  Ti  Ti110  1  0.084846  0.585394  0.346564  1
  Ti  Ti111  1  0.171616  0.780499  0.302953  1
  Ti  Ti112  1  0.418922  0.258227  0.361500  1
  Ti  Ti113  1  0.520158  0.450702  0.314367  1
  Ti  Ti114  1  0.455369  0.593345  0.335023  1
  Ti  Ti115  1  0.748842  0.422361  0.365986  1
  Ti  Ti116  1  0.840646  0.602956  0.270881  1
  Ti  Ti117  1  0.792970  0.758874  0.316465  1
  Ti  Ti118  1  0.079777  0.096149  0.358506  1
  Ti  Ti119  1  0.170436  0.285151  0.297994  1
  Ti  Ti120  1  0.112900  0.430748  0.310568  1
  Ti  Ti121  1  0.493583  0.942098  0.289606  1
  Ti  Ti122  1  0.458399  0.096882  0.326966  1
  Ti  Ti123  1  0.744345  0.917625  0.365583  1
  Ti  Ti124  1  0.830494  0.110104  0.285800  1
  Ti  Ti125  1  0.797488  0.279246  0.349761  1
  Ti  Ti126  1  0.126931  0.945370  0.350631  1
  Ti  Ti127  1  0.399978  0.825145  0.361859  1
  Ti  Ti128  1  0.083460  0.677081  0.382712  1
  Ti  Ti129  1  0.131676  0.848830  0.312703  1
  Ti  Ti130  1  0.385896  0.327825  0.371214  1
  Ti  Ti131  1  0.487695  0.519758  0.324844  1
  Ti  Ti132  1  0.458810  0.687557  0.369812  1
  Ti  Ti133  1  0.857274  0.531890  0.265303  1
  Ti  Ti134  1  0.808514  0.672183  0.278537  1
  Ti  Ti135  1  0.784342  0.851818  0.352998  1
  Ti  Ti136  1  0.201445  0.214387  0.294341  1
  Ti  Ti137  1  0.138426  0.357267  0.302297  1
  Ti  Ti138  1  0.108109  0.516823  0.337482  1
  Ti  Ti139  1  0.460821  0.011494  0.297108  1
  Ti  Ti140  1  0.453326  0.188265  0.354110  1
  Ti  Ti141  1  0.857991  0.039621  0.280836  1
  Ti  Ti142  1  0.805729  0.178352  0.293516  1
  Ti  Ti143  1  0.773628  0.353219  0.353657  1
  Ti  Ti144  1  0.102196  0.025638  0.349522  1
  Ti  Ti145  1  0.231146  0.738025  0.344276  1
  Ti  Ti146  1  0.878682  0.558058  0.314351  1
  Ti  Ti147  1  0.821886  0.695898  0.331334  1
  Ti  Ti148  1  0.216286  0.243895  0.347296  1
  Ti  Ti149  1  0.162500  0.385467  0.353604  1
  Ti  Ti150  1  0.265240  0.575627  0.298537  1
  Ti  Ti151  1  0.539098  0.385599  0.334162  1
  Ti  Ti152  1  0.509019  0.547893  0.378465  1
  Ti  Ti153  1  0.593584  0.732164  0.289071  1
  Ti  Ti154  1  0.870614  0.067421  0.329858  1
  Ti  Ti155  1  0.823941  0.207727  0.347146  1
  Ti  Ti156  1  0.915490  0.409776  0.288377  1
  Ti  Ti157  1  0.150291  0.876247  0.366056  1
  Ti  Ti158  1  0.276352  0.061070  0.291095  1
  Ti  Ti159  1  0.550590  0.896808  0.331471  1
  Ti  Ti160  1  0.481659  0.033334  0.352062  1
  Ti  Ti161  1  0.603755  0.246109  0.311376  1
  Ti  Ti162  1  0.927998  0.920704  0.316978  1
  Ti  Ti163  1  0.275983  0.851389  0.364949  1
  Ti  Ti164  1  0.940539  0.670998  0.330927  1
  Ti  Ti165  1  0.894532  0.829889  0.379729  1
  Ti  Ti166  1  0.279632  0.353873  0.348845  1
  Ti  Ti167  1  0.219543  0.494425  0.368302  1
  Ti  Ti168  1  0.316215  0.689062  0.318175  1
  Ti  Ti169  1  0.625775  0.517119  0.373829  1
  Ti  Ti170  1  0.621010  0.664533  0.299218  1
  Ti  Ti171  1  0.639714  0.846772  0.302420  1
  Ti  Ti172  1  0.941484  0.171500  0.347501  1
  Ti  Ti173  1  0.908716  0.342348  0.413709  1
  Ti  Ti174  1  0.990603  0.522627  0.314224  1
  Ti  Ti175  1  0.235791  0.015958  0.413730  1
  Ti  Ti176  1  0.317218  0.185001  0.300075  1
  Ti  Ti177  1  0.601975  0.009131  0.348746  1
  Ti  Ti178  1  0.692338  0.202159  0.284545  1
  Ti  Ti179  1  0.660359  0.357467  0.333624  1
  Ti  Ti180  1  0.985192  0.031914  0.331165  1
  Ti  Ti181  1  0.314561  0.782149  0.352974  1
  Ti  Ti182  1  0.972276  0.596652  0.321601  1
  Ti  Ti183  1  0.905302  0.739038  0.341939  1
  Ti  Ti184  1  0.288183  0.255763  0.303807  1
  Ti  Ti185  1  0.250979  0.424132  0.357930  1
  Ti  Ti186  1  0.351911  0.619110  0.308331  1
  Ti  Ti187  1  0.629555  0.426878  0.345790  1
  Ti  Ti188  1  0.595078  0.588260  0.384879  1
  Ti  Ti189  1  0.680915  0.775920  0.294959  1
  Ti  Ti190  1  0.965330  0.101831  0.339336  1
  Ti  Ti191  1  0.914061  0.242946  0.355497  1
  Ti  Ti192  1  0.004109  0.446993  0.292257  1
  Ti  Ti193  1  0.237355  0.920535  0.375352  1
  Ti  Ti194  1  0.353787  0.113802  0.296290  1
  Ti  Ti195  1  0.637954  0.940267  0.338009  1
  Ti  Ti196  1  0.566647  0.077413  0.358707  1
  Ti  Ti197  1  0.687623  0.287578  0.325896  1
  Ti  Ti198  1  0.016533  0.963027  0.327056  1
  Ti  Ti199  1  0.527516  0.872517  0.281019  1
  Ti  Ti200  1  0.992650  0.623204  0.376457  1
  Ti  Ti201  1  0.047996  0.805122  0.304048  1
  Ti  Ti202  1  0.301199  0.284418  0.359957  1
  Ti  Ti203  1  0.400478  0.479743  0.315797  1
  Ti  Ti204  1  0.373053  0.645367  0.361180  1
  Ti  Ti205  1  0.780875  0.493910  0.288761  1
  Ti  Ti206  1  0.738159  0.634620  0.304917  1
  Ti  Ti207  1  0.701052  0.804556  0.345703  1
  Ti  Ti208  1  0.984860  0.128521  0.394585  1
  Ti  Ti209  1  0.073675  0.316982  0.332122  1
  Ti  Ti210  1  0.023263  0.465639  0.345968  1
  Ti  Ti211  1  0.397268  0.981990  0.335805  1
  Ti  Ti212  1  0.366763  0.143964  0.347831  1
  Ti  Ti213  1  0.785111  1.001841  0.299976  1
  Ti  Ti214  1  0.726269  0.142459  0.318037  1
  Ti  Ti215  1  0.707814  0.313515  0.380327  1
  Ti  Ti216  1  0.036475  0.989484  0.379947  1
  Ti  Ti217  1  0.355239  0.834850  0.464365  1
  Ti  Ti218  1  0.011735  0.648734  0.432088  1
  Ti  Ti219  1  0.943262  0.789075  0.451246  1
  Ti  Ti220  1  0.321645  0.312005  0.415894  1
  Ti  Ti221  1  0.292023  0.476191  0.468600  1
  Ti  Ti222  1  0.394165  0.670563  0.416576  1
  Ti  Ti223  1  0.672452  0.478502  0.454267  1
  Ti  Ti224  1  0.636673  0.639881  0.496690  1
  Ti  Ti225  1  0.720845  0.830053  0.400615  1
  Ti  Ti226  1  0.005149  0.153860  0.449586  1
  Ti  Ti227  1  0.955962  0.296059  0.468005  1
  Ti  Ti228  1  0.046484  0.489006  0.401329  1
  Ti  Ti229  1  0.277840  0.973192  0.485930  1
  Ti  Ti230  1  0.383794  0.170326  0.402639  1
  Ti  Ti231  1  0.678396  0.992368  0.449140  1
  Ti  Ti232  1  0.605932  0.131353  0.469264  1
  Ti  Ti233  1  0.724667  0.338566  0.436511  1
  Ti  Ti234  1  0.054209  0.014613  0.435213  1
  Ti  Ti235  1  0.357455  0.740255  0.428056  1
  Ti  Ti236  1  0.033790  0.572509  0.425892  1
  Ti  Ti237  1  0.981863  0.719534  0.441067  1
  Ti  Ti238  1  0.353222  0.241118  0.407993  1
  Ti  Ti239  1  0.321819  0.405587  0.457889  1
  Ti  Ti240  1  0.261688  0.545604  0.478436  1
  Ti  Ti241  1  0.698474  0.407130  0.446172  1
  Ti  Ti242  1  0.668383  0.568075  0.486222  1
  Ti  Ti243  1  0.605483  0.712706  0.505726  1
  Ti  Ti244  1  0.026002  0.083073  0.442805  1
  Ti  Ti245  1  0.981453  0.224366  0.458054  1
  Ti  Ti246  1  0.949024  0.391639  0.524792  1
  Ti  Ti247  1  0.315967  0.904132  0.475108  1
  Ti  Ti248  1  0.395046  0.082646  0.379748  1
  Ti  Ti249  1  0.682029  0.898038  0.412485  1
  Ti  Ti250  1  0.641780  0.061551  0.459853  1
  Ti  Ti251  1  0.728803  0.245753  0.391915  1
  Ti  Ti252  1  0.060818  0.923124  0.395311  1
  Ti  Ti253  1  0.127734  0.788407  0.403578  1
  Ti  Ti254  1  0.804930  0.614985  0.405990  1
  Ti  Ti255  1  0.745953  0.757874  0.418323  1
  Ti  Ti256  1  0.142067  0.302355  0.438005  1
  Ti  Ti257  1  0.088455  0.442931  0.448626  1
  Ti  Ti258  1  0.055002  0.598658  0.480752  1
  Ti  Ti259  1  0.476486  0.462211  0.416973  1
  Ti  Ti260  1  0.412273  0.602408  0.437084  1
  Ti  Ti261  1  0.378204  0.765987  0.482449  1
  Ti  Ti262  1  0.794835  0.122305  0.421501  1
  Ti  Ti263  1  0.750989  0.269254  0.444099  1
  Ti  Ti264  1  0.719063  0.432662  0.501777  1
  Ti  Ti265  1  0.082254  0.948596  0.451544  1
  Ti  Ti266  1  0.046582  0.109265  0.498349  1
  Ti  Ti267  1  0.470601  0.965557  0.438114  1
  Ti  Ti268  1  0.414128  0.107102  0.435130  1
  Ti  Ti269  1  0.371262  0.267553  0.463654  1
  Ti  Ti270  1  0.702335  0.923825  0.466507  1
  Ti  Ti271  1  0.122835  0.727518  0.495178  1
  Ti  Ti272  1  0.779942  0.556528  0.502581  1
  Ti  Ti273  1  0.841533  0.720084  0.385886  1
  Ti  Ti274  1  0.096459  0.220038  0.477380  1
  Ti  Ti275  1  0.183022  0.411355  0.409432  1
  Ti  Ti276  1  0.151738  0.568025  0.447678  1
  Ti  Ti277  1  0.425767  0.379741  0.483924  1
  Ti  Ti278  1  0.529423  0.574104  0.434024  1
  Ti  Ti279  1  0.500377  0.739840  0.479762  1
  Ti  Ti280  1  0.780762  0.062557  0.513030  1
  Ti  Ti281  1  0.842840  0.233349  0.403633  1
  Ti  Ti282  1  0.813763  0.402558  0.465545  1
  Ti  Ti283  1  0.171292  0.902502  0.421827  1
  Ti  Ti284  1  0.142919  0.077434  0.459333  1
  Ti  Ti285  1  0.575071  0.921519  0.386144  1
  Ti  Ti286  1  0.500492  0.060243  0.406808  1
  Ti  Ti287  1  0.488772  0.240738  0.463397  1
  Ti  Ti288  1  0.825827  0.902819  0.464462  1
  Ti  Ti289  1  0.211393  0.833743  0.411762  1
  Ti  Ti290  1  0.874386  0.653255  0.378236  1
  Ti  Ti291  1  0.830002  0.811691  0.426826  1
  Ti  Ti292  1  0.208735  0.342544  0.401811  1
  Ti  Ti293  1  0.156039  0.480831  0.419855  1
  Ti  Ti294  1  0.125819  0.636923  0.456668  1
  Ti  Ti295  1  0.563292  0.502805  0.424280  1
  Ti  Ti296  1  0.498527  0.645271  0.444075  1
  Ti  Ti297  1  0.461670  0.809372  0.491578  1
  Ti  Ti298  1  0.865604  0.163248  0.394302  1
  Ti  Ti299  1  0.837678  0.329342  0.458972  1
  Ti  Ti300  1  0.789145  0.472974  0.476260  1
  Ti  Ti301  1  0.168464  0.998435  0.459826  1
  Ti  Ti302  1  0.119298  0.148728  0.468868  1
  Ti  Ti303  1  0.537532  0.991383  0.397174  1
  Ti  Ti304  1  0.493478  0.149951  0.435768  1
  Ti  Ti305  1  0.458176  0.309349  0.473282  1
  Ti  Ti306  1  0.785971  0.970339  0.475762  1
  Ti  Ti307  1  0.272771  0.696606  0.419198  1
  Ti  Ti308  1  0.942113  0.534430  0.417613  1
  Ti  Ti309  1  0.892252  0.678142  0.431988  1
  Ti  Ti310  1  0.263087  0.200582  0.397647  1
  Ti  Ti311  1  0.231673  0.366337  0.454957  1
  Ti  Ti312  1  0.177931  0.506792  0.473711  1
  Ti  Ti313  1  0.608881  0.367226  0.435824  1
  Ti  Ti314  1  0.585563  0.528626  0.479707  1
  Ti  Ti315  1  0.519690  0.670295  0.499105  1
  Ti  Ti316  1  0.935467  0.041852  0.434733  1
  Ti  Ti317  1  0.886132  0.188871  0.448884  1
  Ti  Ti318  1  0.859538  0.351903  0.515879  1
  Ti  Ti319  1  0.231638  0.859736  0.467005  1
  Ti  Ti320  1  0.189188  0.024190  0.514826  1
  Ti  Ti321  1  0.592828  0.850900  0.401201  1
  Ti  Ti322  1  0.555570  0.017320  0.452407  1
  Ti  Ti323  1  0.642848  0.206243  0.389717  1
  Ti  Ti324  1  0.978002  0.876990  0.387406  1
  Ti  Ti325  1  0.293813  0.722745  0.474762  1
  Ti  Ti326  1  0.961827  0.560981  0.472242  1
  Ti  Ti327  1  0.043926  0.743667  0.395268  1
  Ti  Ti328  1  0.284099  0.226193  0.452869  1
  Ti  Ti329  1  0.389575  0.421176  0.409336  1
  Ti  Ti330  1  0.326815  0.560817  0.430186  1
  Ti  Ti331  1  0.629194  0.392431  0.491752  1
  Ti  Ti332  1  0.713476  0.578520  0.397230  1
  Ti  Ti333  1  0.672879  0.739546  0.462663  1
  Ti  Ti334  1  0.956335  0.067677  0.490187  1
  Ti  Ti335  1  0.050665  0.266016  0.430225  1
  Ti  Ti336  1  0.997456  0.406782  0.440099  1
  Ti  Ti337  1  0.380457  0.924066  0.429366  1
  Ti  Ti338  1  0.326903  0.071809  0.432025  1
  Ti  Ti339  1  0.614926  0.877470  0.456196  1
  Ti  Ti340  1  0.704421  0.080070  0.412632  1
  Ti  Ti341  1  0.662242  0.231817  0.442788  1
  Ti  Ti342  1  -0.000675  0.903277  0.442816  1
  Ti  Ti343  1  0.292065  0.816481  0.510935  1
  Ti  Ti344  1  0.941557  0.633690  0.478866  1
  Ti  Ti345  1  0.004671  0.810850  0.406267  1
  Ti  Ti346  1  0.270742  0.320053  0.515559  1
  Ti  Ti347  1  0.358501  0.490940  0.420006  1
  Ti  Ti348  1  0.329583  0.653289  0.463953  1
  Ti  Ti349  1  0.735948  0.507482  0.391958  1
  Ti  Ti350  1  0.684733  0.646210  0.406811  1
  Ti  Ti351  1  0.656557  0.808709  0.446486  1
  Ti  Ti352  1  0.056293  0.166553  0.366512  1
  Ti  Ti353  1  0.022148  0.336447  0.433226  1
  Ti  Ti354  1  0.974920  0.478103  0.450171  1
  Ti  Ti355  1  0.343259  0.993967  0.439928  1
  Ti  Ti356  1  0.313740  0.153717  0.447361  1
  Ti  Ti357  1  0.741082  0.011089  0.401944  1
  Ti  Ti358  1  0.676082  0.148953  0.421889  1
  Ti  Ti359  1  0.661547  0.322175  0.480703  1
  Ti  Ti360  1  0.991982  0.996781  0.481331  1
  Ti  Ti361  1  0.101935  0.701273  0.439755  1
  Ti  Ti362  1  0.760686  0.531368  0.447815  1
  Ti  Ti363  1  0.703587  0.671141  0.461404  1
  Ti  Ti364  1  0.074741  0.194610  0.421563  1
  Ti  Ti365  1  0.042007  0.360959  0.488397  1
  Ti  Ti366  1  0.129863  0.541486  0.392883  1
  Ti  Ti367  1  0.405152  0.353652  0.427714  1
  Ti  Ti368  1  0.379186  0.516754  0.475175  1
  Ti  Ti369  1  0.478978  0.714657  0.425286  1
  Ti  Ti370  1  0.761502  0.036967  0.457982  1
  Ti  Ti371  1  0.696991  0.176722  0.477190  1
  Ti  Ti372  1  0.793697  0.375990  0.410018  1
  Ti  Ti373  1  0.025111  0.837100  0.460645  1
  Ti  Ti374  1  0.122310  0.049633  0.405400  1
  Ti  Ti375  1  0.419165  0.853591  0.419009  1
  Ti  Ti376  1  0.363747  0.020319  0.494832  1
  Ti  Ti377  1  0.470739  0.214139  0.408914  1
  Ti  Ti378  1  0.804134  0.876807  0.409759  1
  Ti  Ti379  1  0.148279  0.814329  0.458647  1
  Ti  Ti380  1  0.825731  0.639261  0.460982  1
  Ti  Ti381  1  0.765785  0.784583  0.473287  1
  Ti  Ti382  1  0.159575  0.331460  0.491468  1
  Ti  Ti383  1  0.110500  0.468419  0.503697  1
  Ti  Ti384  1  0.189090  0.653855  0.410966  1
  Ti  Ti385  1  0.497441  0.488081  0.471929  1
  Ti  Ti386  1  0.567278  0.660532  0.394275  1
  Ti  Ti387  1  0.528820  0.828622  0.445974  1
  Ti  Ti388  1  0.815258  0.148696  0.476372  1
  Ti  Ti389  1  0.774071  0.292064  0.498609  1
  Ti  Ti390  1  0.860946  0.485262  0.429153  1
  Ti  Ti391  1  0.104369  0.973974  0.506408  1
  Ti  Ti392  1  0.193577  0.158503  0.423773  1
  Ti  Ti393  1  0.487446  0.992170  0.493716  1
  Ti  Ti394  1  0.558121  0.166701  0.386156  1
  Ti  Ti395  1  0.522886  0.326092  0.426347  1
  Ti  Ti396  1  0.850010  0.988917  0.428386  1
  Ti  Ti397  1  0.187292  0.746409  0.447254  1
  Ti  Ti398  1  0.849968  0.568575  0.452201  1
  Ti  Ti399  1  0.791272  0.710057  0.471706  1
  Ti  Ti400  1  0.167442  0.230044  0.431610  1
  Ti  Ti401  1  0.135691  0.398538  0.496358  1
  Ti  Ti402  1  0.223221  0.585231  0.400838  1
  Ti  Ti403  1  0.491600  0.395443  0.437586  1
  Ti  Ti404  1  0.466336  0.557478  0.482283  1
  Ti  Ti405  1  0.566079  0.759279  0.434520  1
  Ti  Ti406  1  0.843513  0.080496  0.467421  1
  Ti  Ti407  1  0.791183  0.218145  0.485980  1
  Ti  Ti408  1  0.884521  0.412723  0.420061  1
  Ti  Ti409  1  0.108841  0.881874  0.469681  1
  Ti  Ti410  1  0.215586  0.087215  0.414002  1
  Ti  Ti411  1  0.505633  0.897710  0.427052  1
  Ti  Ti412  1  0.452612  0.061079  0.503199  1
  Ti  Ti413  1  0.556349  0.256492  0.415567  1
  Ti  Ti414  1  0.889927  0.922966  0.416892  1
  Ti  Ti415  1  0.336807  0.808803  0.408423  1
  Ti  Ti416  1  0.869179  0.593123  0.507648  1
  Ti  Ti417  1  0.923247  0.763169  0.396224  1
  Ti  Ti418  1  0.188241  0.257027  0.488659  1
  Ti  Ti419  1  0.270654  0.450299  0.413735  1
  Ti  Ti420  1  0.242496  0.610487  0.456596  1
  Ti  Ti421  1  0.651949  0.453183  0.399077  1
  Ti  Ti422  1  0.615556  0.615054  0.441221  1
  Ti  Ti423  1  0.586436  0.785576  0.489762  1
  Ti  Ti424  1  0.866944  0.105344  0.522353  1
  Ti  Ti425  1  0.935328  0.270395  0.411783  1
  Ti  Ti426  1  0.904265  0.438799  0.475759  1
  Ti  Ti427  1  0.257090  0.947658  0.429711  1
  Ti  Ti428  1  0.235167  0.113398  0.467868  1
  Ti  Ti429  1  0.658396  0.966027  0.394242  1
  Ti  Ti430  1  0.584447  0.104830  0.413727  1
  Ti  Ti431  1  0.575886  0.281381  0.471401  1
  Ti  Ti432  1  0.910326  0.948071  0.472394  1
  Ti  Ti433  1  0.228665  0.797655  0.557974  1
  Ti  Ti434  1  0.890188  0.619255  0.561376  1
  Ti  Ti435  1  0.834853  0.761143  0.580957  1
  Ti  Ti436  1  0.209626  0.280611  0.545831  1
  Ti  Ti437  1  0.177274  0.448892  0.605420  1
  Ti  Ti438  1  0.263278  0.636398  0.511769  1
  Ti  Ti439  1  0.533389  0.446154  0.548513  1
  Ti  Ti440  1  0.507649  0.608690  0.592851  1
  Ti  Ti441  1  0.603390  0.808669  0.545327  1
  Ti  Ti442  1  0.886441  0.131005  0.576850  1
  Ti  Ti443  1  0.835357  0.267720  0.598438  1
  Ti  Ti444  1  0.924804  0.463823  0.530876  1
  Ti  Ti445  1  0.151413  0.932598  0.579848  1
  Ti  Ti446  1  0.257392  0.139699  0.522262  1
  Ti  Ti447  1  0.549428  0.949071  0.538903  1
  Ti  Ti448  1  0.499175  0.109381  0.610691  1
  Ti  Ti449  1  0.595215  0.306190  0.526934  1
  Ti  Ti450  1  0.930211  0.973506  0.527837  1
  Ti  Ti451  1  0.231277  0.705368  0.521849  1
  Ti  Ti452  1  0.902452  0.535215  0.539402  1
  Ti  Ti453  1  0.865605  0.690346  0.570289  1
  Ti  Ti454  1  0.233761  0.210279  0.534509  1
  Ti  Ti455  1  0.206001  0.379144  0.604689  1
  Ti  Ti456  1  0.151876  0.518723  0.614039  1
  Ti  Ti457  1  0.564317  0.375996  0.537964  1
  Ti  Ti458  1  0.539469  0.538284  0.582960  1
  Ti  Ti459  1  0.475284  0.679441  0.603184  1
  Ti  Ti460  1  0.890827  0.040604  0.538941  1
  Ti  Ti461  1  0.858962  0.198960  0.587617  1
  Ti  Ti462  1  0.812634  0.340443  0.608490  1
  Ti  Ti463  1  0.190843  0.865372  0.569227  1
  Ti  Ti464  1  0.277236  0.067593  0.523986  1
  Ti  Ti465  1  0.570870  0.878019  0.554638  1
  Ti  Ti466  1  0.530517  0.041843  0.602899  1
  Ti  Ti467  1  0.595312  0.216851  0.493441  1
  Ti  Ti468  1  0.936159  0.882373  0.490442  1
  Ti  Ti469  1  0.002063  0.745321  0.495782  1
  Ti  Ti470  1  0.687898  0.594034  0.541507  1
  Ti  Ti471  1  0.627763  0.738069  0.560697  1
  Ti  Ti472  1  0.002974  0.250358  0.513929  1
  Ti  Ti473  1  0.971534  0.416533  0.579754  1
  Ti  Ti474  1  0.921262  0.561407  0.594239  1
  Ti  Ti475  1  0.341852  0.431025  0.513384  1
  Ti  Ti476  1  0.280179  0.570951  0.533218  1
  Ti  Ti477  1  0.251618  0.731187  0.576849  1
  Ti  Ti478  1  0.661562  0.087996  0.515515  1
  Ti  Ti479  1  0.613304  0.239913  0.547138  1
  Ti  Ti480  1  0.583631  0.401565  0.593679  1
  Ti  Ti481  1  0.956944  0.907422  0.546427  1
  Ti  Ti482  1  0.913320  0.067060  0.593520  1
  Ti  Ti483  1  0.338630  0.929475  0.530650  1
  Ti  Ti484  1  0.297870  0.092504  0.580536  1
  Ti  Ti485  1  0.255829  0.234117  0.590897  1
  Ti  Ti486  1  0.596804  0.904629  0.608440  1
  Ti  Ti487  1  0.981518  0.684442  0.587437  1
  Ti  Ti488  1  0.642515  0.511872  0.611929  1
  Ti  Ti489  1  0.725800  0.695534  0.516514  1
  Ti  Ti490  1  0.974790  0.195076  0.605313  1
  Ti  Ti491  1  0.063414  0.386912  0.543312  1
  Ti  Ti492  1  0.015436  0.529423  0.559185  1
  Ti  Ti493  1  0.317627  0.372970  0.630040  1
  Ti  Ti494  1  0.399315  0.542431  0.530547  1
  Ti  Ti495  1  0.372056  0.705140  0.574260  1
  Ti  Ti496  1  0.656420  0.026191  0.608206  1
  Ti  Ti497  1  0.718633  0.201137  0.533814  1
  Ti  Ti498  1  0.701186  0.371630  0.593499  1
  Ti  Ti499  1  0.045921  0.861962  0.516692  1
  Ti  Ti500  1  0.034049  0.047708  0.590291  1
  Ti  Ti501  1  0.442450  0.880271  0.473431  1
  Ti  Ti502  1  0.385213  0.044969  0.550218  1
  Ti  Ti503  1  0.352671  0.205442  0.557083  1
  Ti  Ti504  1  0.697462  0.861669  0.557490  1
  Ti  Ti505  1  0.086059  0.795276  0.505650  1
  Ti  Ti506  1  0.754119  0.627037  0.507416  1
  Ti  Ti507  1  0.715871  0.791198  0.570632  1
  Ti  Ti508  1  0.093566  0.316059  0.538658  1
  Ti  Ti509  1  0.038762  0.457568  0.550626  1
  Ti  Ti510  1  0.003082  0.611588  0.581692  1
  Ti  Ti511  1  0.431340  0.472305  0.519938  1
  Ti  Ti512  1  0.368855  0.611607  0.540629  1
  Ti  Ti513  1  0.335303  0.773959  0.586034  1
  Ti  Ti514  1  0.749262  0.131816  0.523190  1
  Ti  Ti515  1  0.699034  0.278788  0.551459  1
  Ti  Ti516  1  0.672196  0.441626  0.603362  1
  Ti  Ti517  1  0.040799  0.955286  0.553505  1
  Ti  Ti518  1  0.000250  0.117629  0.600948  1
  Ti  Ti519  1  0.421097  0.974573  0.539318  1
  Ti  Ti520  1  0.365932  0.117955  0.540840  1
  Ti  Ti521  1  0.325744  0.275023  0.565580  1
  Ti  Ti522  1  0.659965  0.930749  0.565486  1
  Ti  Ti523  1  0.144816  0.662421  0.512016  1
  Ti  Ti524  1  0.808370  0.498257  0.530989  1
  Ti  Ti525  1  0.775113  0.652075  0.561982  1
  Ti  Ti526  1  0.139937  0.174239  0.523831  1
  Ti  Ti527  1  0.114775  0.339800  0.595208  1
  Ti  Ti528  1  0.060749  0.482607  0.605740  1
  Ti  Ti529  1  0.477405  0.335069  0.529215  1
  Ti  Ti530  1  0.452437  0.497636  0.575456  1
  Ti  Ti531  1  0.390596  0.637394  0.595497  1
  Ti  Ti532  1  0.805737  0.996188  0.530976  1
  Ti  Ti533  1  0.770652  0.157762  0.579044  1
  Ti  Ti534  1  0.722325  0.302041  0.604020  1
  Ti  Ti535  1  0.105295  0.821044  0.561760  1
  Ti  Ti536  1  0.062200  0.980449  0.608851  1
  Ti  Ti537  1  0.482874  0.835836  0.546385  1
  Ti  Ti538  1  0.444148  0.998732  0.594610  1
  Ti  Ti539  1  0.513295  0.177117  0.489407  1
  Ti  Ti540  1  0.851150  0.836136  0.481805  1
  Ti  Ti541  1  0.167841  0.687892  0.567370  1
  Ti  Ti542  1  0.829895  0.522497  0.586629  1
  Ti  Ti543  1  0.912824  0.703831  0.486962  1
  Ti  Ti544  1  0.160833  0.198165  0.580185  1
  Ti  Ti545  1  0.253572  0.390763  0.509301  1
  Ti  Ti546  1  0.196993  0.531596  0.528461  1
  Ti  Ti547  1  0.496369  0.360350  0.584490  1
  Ti  Ti548  1  0.604825  0.553560  0.535124  1
  Ti  Ti549  1  0.539557  0.696541  0.554975  1
  Ti  Ti550  1  0.827832  0.021518  0.586605  1
  Ti  Ti551  1  0.908170  0.213685  0.505013  1
  Ti  Ti552  1  0.880773  0.379133  0.571485  1
  Ti  Ti553  1  0.253413  0.885470  0.522261  1
  Ti  Ti554  1  0.211007  0.048764  0.569632  1
  Ti  Ti555  1  0.505796  0.860151  0.601827  1
  Ti  Ti556  1  0.576397  0.044617  0.508129  1
  Ti  Ti557  1  0.529932  0.201168  0.542614  1
  Ti  Ti558  1  0.872314  0.861583  0.536604  1
  Ti  Ti559  1  0.164475  0.779545  0.605973  1
  Ti  Ti560  1  0.819247  0.607366  0.612135  1
  Ti  Ti561  1  0.881638  0.771585  0.496862  1
  Ti  Ti562  1  0.138005  0.268412  0.590028  1
  Ti  Ti563  1  0.224990  0.461653  0.519044  1
  Ti  Ti564  1  0.193352  0.619096  0.558254  1
  Ti  Ti565  1  0.601789  0.462242  0.501174  1
  Ti  Ti566  1  0.571503  0.623925  0.545089  1
  Ti  Ti567  1  0.542719  0.790271  0.590849  1
  Ti  Ti568  1  0.932434  0.143625  0.494801  1
  Ti  Ti569  1  0.886274  0.282441  0.515381  1
  Ti  Ti570  1  0.854981  0.451915  0.576951  1
  Ti  Ti571  1  0.214367  0.953943  0.532630  1
  Ti  Ti572  1  0.185460  0.127391  0.568761  1
  Ti  Ti573  1  0.612608  0.974099  0.496225  1
  Ti  Ti574  1  0.543190  0.115311  0.517482  1
  Ti  Ti575  1  0.528181  0.290086  0.574420  1
  Ti  Ti576  1  0.867020  0.954579  0.575317  1
  Ti  Ti577  1  0.962387  0.658505  0.533045  1
  Ti  Ti578  1  0.622192  0.486903  0.556558  1
  Ti  Ti579  1  0.592544  0.650209  0.600263  1
  Ti  Ti580  1  0.953592  0.168344  0.550210  1
  Ti  Ti581  1  0.906735  0.309977  0.569528  1
  Ti  Ti582  1  0.995656  0.504069  0.504147  1
  Ti  Ti583  1  0.294053  0.346093  0.571136  1
  Ti  Ti584  1  0.246590  0.487026  0.573301  1
  Ti  Ti585  1  0.350365  0.679422  0.519474  1
  Ti  Ti586  1  0.631649  1.001205  0.552696  1
  Ti  Ti587  1  0.563592  0.141937  0.572933  1
  Ti  Ti588  1  0.681636  0.346587  0.537485  1
  Ti  Ti589  1  0.899676  0.796484  0.551430  1
  Ti  Ti590  1  0.012002  0.023394  0.536605  1
  Ti  Ti591  1  0.314578  0.841740  0.566577  1
  Ti  Ti592  1  0.234613  0.979296  0.587611  1
  Ti  Ti593  1  0.332416  0.180153  0.501292  1
  Ti  Ti594  1  0.672895  0.833742  0.503006  1
  Ti  Ti595  1  0.021630  0.770927  0.550772  1
  Ti  Ti596  1  0.708737  0.619479  0.595992  1
  Ti  Ti597  1  0.649942  0.763691  0.615809  1
  Ti  Ti598  1  0.023712  0.274786  0.570125  1
  Ti  Ti599  1  0.991554  0.443255  0.632474  1
  Ti  Ti600  1  0.073878  0.624389  0.535190  1
  Ti  Ti601  1  0.363671  0.456329  0.568051  1
  Ti  Ti602  1  0.433077  0.628312  0.492369  1
  Ti  Ti603  1  0.399096  0.792063  0.538643  1
  Ti  Ti604  1  0.683301  0.115019  0.570909  1
  Ti  Ti605  1  0.632141  0.264677  0.600701  1
  Ti  Ti606  1  0.739701  0.456651  0.557580  1
  Ti  Ti607  1  0.978417  0.932598  0.601923  1
  Ti  Ti608  1  0.067490  0.134887  0.553174  1
  Ti  Ti609  1  0.359148  0.954543  0.585903  1
  Ti  Ti610  1  0.434720  0.136145  0.489464  1
  Ti  Ti611  1  0.389915  0.293061  0.520237  1
  Ti  Ti612  1  0.722718  0.950576  0.521756  1
  Ti  Ti613  1  0.055154  0.700604  0.542380  1
  Ti  Ti614  1  0.712740  0.528244  0.565195  1
  Ti  Ti615  1  0.677302  0.690975  0.607082  1
  Ti  Ti616  1  0.046351  0.204716  0.560488  1
  Ti  Ti617  1  -0.000206  0.345841  0.577139  1
  Ti  Ti618  1  0.085757  0.540592  0.510283  1
  Ti  Ti619  1  0.362005  0.363000  0.529329  1
  Ti  Ti620  1  0.334995  0.526510  0.578797  1
  Ti  Ti621  1  0.436401  0.722145  0.526866  1
  Ti  Ti622  1  0.718424  0.044802  0.560256  1
  Ti  Ti623  1  0.652797  0.184369  0.580946  1
  Ti  Ti624  1  0.768928  0.385409  0.549744  1
  Ti  Ti625  1  0.983949  0.839973  0.561671  1
  Ti  Ti626  1  0.098872  0.066124  0.545093  1
  Ti  Ti627  1  0.397547  0.885509  0.575085  1
  Ti  Ti628  1  0.319588  0.023405  0.596269  1
  Ti  Ti629  1  0.423142  0.222273  0.511731  1
  Ti  Ti630  1  0.761928  0.881326  0.511229  1
  Ti  Ti631  1  0.208660  0.771591  0.502877  1
  Ti  Ti632  1  0.734840  0.554204  0.620031  1
  Ti  Ti633  1  0.813545  0.737272  0.525623  1
  Ti  Ti634  1  0.067878  0.230230  0.616703  1
  Ti  Ti635  1  0.155370  0.424410  0.551705  1
  Ti  Ti636  1  0.105207  0.566499  0.564822  1
  Ti  Ti637  1  0.512550  0.420925  0.492715  1
  Ti  Ti638  1  0.486411  0.583218  0.537725  1
  Ti  Ti639  1  0.456849  0.748260  0.582748  1
  Ti  Ti640  1  0.740565  0.070372  0.615819  1
  Ti  Ti641  1  0.811010  0.243523  0.542600  1
  Ti  Ti642  1  0.789419  0.411335  0.604886  1
  Ti  Ti643  1  0.130075  0.907713  0.524398  1
  Ti  Ti644  1  0.120307  0.091190  0.599644  1
  Ti  Ti645  1  0.527308  0.923658  0.483910  1
  Ti  Ti646  1  0.475779  0.087016  0.557337  1
  Ti  Ti647  1  0.442454  0.246678  0.567097  1
  Ti  Ti648  1  0.782303  0.907948  0.565929  1
  Ti  Ti649  1  0.096329  0.752204  0.652543  1
  Ti  Ti650  1  0.755950  0.580743  0.675713  1
  Ti  Ti651  1  0.745140  0.722872  0.715975  1
  Ti  Ti652  1  0.088081  0.254360  0.673044  1
  Ti  Ti653  1  0.038555  0.399302  0.688901  1
  Ti  Ti654  1  0.129492  0.590313  0.620910  1
  Ti  Ti655  1  0.398790  0.414728  0.642944  1
  Ti  Ti656  1  0.376617  0.579424  0.687761  1
  Ti  Ti657  1  0.478845  0.773596  0.638446  1
  Ti  Ti658  1  0.762331  0.095195  0.669166  1
  Ti  Ti659  1  0.695718  0.237882  0.691448  1
  Ti  Ti660  1  0.807779  0.438064  0.660358  1
  Ti  Ti661  1  0.025431  0.891223  0.670101  1
  Ti  Ti662  1  0.137579  0.115762  0.653988  1
  Ti  Ti663  1  0.438853  0.937406  0.686273  1
  Ti  Ti664  1  0.361110  0.075203  0.701979  1
  Ti  Ti665  1  0.461016  0.271063  0.623245  1
  Ti  Ti666  1  0.802042  0.933039  0.621257  1
  Ti  Ti667  1  0.112739  0.676011  0.644926  1
  Ti  Ti668  1  0.781155  0.507918  0.668598  1
  Ti  Ti669  1  0.765380  0.656673  0.706306  1
  Ti  Ti670  1  0.109390  0.183052  0.664211  1
  Ti  Ti671  1  0.066363  0.326249  0.679818  1
  Ti  Ti672  1  0.026127  0.494765  0.737891  1
  Ti  Ti673  1  0.432285  0.342665  0.631510  1
  Ti  Ti674  1  0.408121  0.506572  0.677451  1
  Ti  Ti675  1  0.345141  0.647614  0.697962  1
  Ti  Ti676  1  0.765663  1.002584  0.633273  1
  Ti  Ti677  1  0.729625  0.165479  0.681827  1
  Ti  Ti678  1  0.681435  0.312167  0.707959  1
  Ti  Ti679  1  0.065251  0.820944  0.660294  1
  Ti  Ti680  1  0.145995  0.025989  0.616630  1
  Ti  Ti681  1  0.441911  0.842776  0.649925  1
  Ti  Ti682  1  0.398236  0.006964  0.694883  1
  Ti  Ti683  1  0.471276  0.180338  0.602399  1
  Ti  Ti684  1  0.809968  0.836795  0.582698  1
  Ti  Ti685  1  0.886668  0.715189  0.625612  1
  Ti  Ti686  1  0.559957  0.564257  0.638640  1
  Ti  Ti687  1  0.495853  0.705210  0.658322  1
  Ti  Ti688  1  0.880257  0.224189  0.644316  1
  Ti  Ti689  1  0.835873  0.367801  0.662892  1
  Ti  Ti690  1  0.801150  0.534744  0.722083  1
  Ti  Ti691  1  0.225883  0.406176  0.658765  1
  Ti  Ti692  1  0.173903  0.546185  0.669740  1
  Ti  Ti693  1  0.141459  0.687199  0.698976  1
  Ti  Ti694  1  0.553118  0.066134  0.657796  1
  Ti  Ti695  1  0.494771  0.205326  0.657307  1
  Ti  Ti696  1  0.450722  0.369596  0.686385  1
  Ti  Ti697  1  0.828463  0.856787  0.640864  1
  Ti  Ti698  1  0.786423  0.027470  0.687438  1
  Ti  Ti699  1  0.211816  0.890840  0.625095  1
  Ti  Ti700  1  0.165321  0.051621  0.672996  1
  Ti  Ti701  1  0.133054  0.207578  0.717913  1
  Ti  Ti702  1  0.466113  0.868793  0.701750  1
  Ti  Ti703  1  0.875488  0.666872  0.716734  1
  Ti  Ti704  1  0.509481  0.480645  0.704502  1
  Ti  Ti705  1  0.613071  0.676555  0.655515  1
  Ti  Ti706  1  0.861059  0.159099  0.731606  1
  Ti  Ti707  1  0.927928  0.335096  0.624600  1
  Ti  Ti708  1  0.896345  0.504340  0.688591  1
  Ti  Ti709  1  0.177175  0.323876  0.698097  1
  Ti  Ti710  1  0.267594  0.512686  0.629090  1
  Ti  Ti711  1  0.241096  0.670914  0.668700  1
  Ti  Ti712  1  0.522246  0.982866  0.694489  1
  Ti  Ti713  1  0.588657  0.167366  0.628934  1
  Ti  Ti714  1  0.570258  0.340550  0.684476  1
  Ti  Ti715  1  0.923039  0.821146  0.607434  1
  Ti  Ti716  1  0.910380  1.004826  0.684998  1
  Ti  Ti717  1  0.334724  0.867118  0.622121  1
  Ti  Ti718  1  0.254681  1.004937  0.643256  1
  Ti  Ti719  1  0.222978  0.178088  0.679715  1
  Ti  Ti720  1  0.587516  0.844770  0.698859  1
  Ti  Ti721  1  0.955185  0.754332  0.597002  1
  Ti  Ti722  1  0.646658  0.604694  0.645910  1
  Ti  Ti723  1  0.584731  0.748076  0.665853  1
  Ti  Ti724  1  0.950586  0.264797  0.616463  1
  Ti  Ti725  1  0.920537  0.431566  0.679453  1
  Ti  Ti726  1  0.869618  0.576388  0.697300  1
  Ti  Ti727  1  0.292547  0.442600  0.618866  1
  Ti  Ti728  1  0.240265  0.581806  0.639189  1
  Ti  Ti729  1  0.202208  0.738100  0.679628  1
  Ti  Ti730  1  0.620371  0.097422  0.619431  1
  Ti  Ti731  1  0.566819  0.250555  0.651288  1
  Ti  Ti732  1  0.539076  0.410036  0.694939  1
  Ti  Ti733  1  0.910746  0.913182  0.645929  1
  Ti  Ti734  1  0.870167  0.072210  0.697599  1
  Ti  Ti735  1  0.295058  0.936064  0.633351  1
  Ti  Ti736  1  0.249553  0.100258  0.679210  1
  Ti  Ti737  1  0.198509  0.251029  0.691619  1
  Ti  Ti738  1  0.548129  0.913030  0.710134  1
  Ti  Ti739  1  0.026155  0.636542  0.636738  1
  Ti  Ti740  1  0.691821  0.467389  0.659307  1
  Ti  Ti741  1  0.667565  0.631703  0.700708  1
  Ti  Ti742  1  0.019683  0.141454  0.656992  1
  Ti  Ti743  1  0.972945  0.289481  0.672047  1
  Ti  Ti744  1  0.945638  0.454894  0.731060  1
  Ti  Ti745  1  0.343882  0.301573  0.621245  1
  Ti  Ti746  1  0.315225  0.465925  0.674027  1
  Ti  Ti747  1  0.260887  0.606479  0.692153  1
  Ti  Ti748  1  0.675958  0.953276  0.620936  1
  Ti  Ti749  1  0.640348  0.123398  0.675350  1
  Ti  Ti750  1  0.591592  0.274970  0.703565  1
  Ti  Ti751  1  0.972963  0.778999  0.654496  1
  Ti  Ti752  1  0.932145  0.933456  0.697219  1
  Ti  Ti753  1  0.355711  0.799272  0.641525  1
  Ti  Ti754  1  0.315547  0.962700  0.687984  1
  Ti  Ti755  1  0.388642  0.140305  0.596560  1
  Ti  Ti756  1  0.738911  0.815883  0.626690  1
  Ti  Ti757  1  0.040204  0.659448  0.692047  1
  Ti  Ti758  1  0.710310  0.494305  0.712755  1
  Ti  Ti759  1  0.796834  0.678194  0.615748  1
  Ti  Ti760  1  0.039309  0.169266  0.710224  1
  Ti  Ti761  1  0.133140  0.368457  0.650642  1
  Ti  Ti762  1  0.081306  0.510785  0.661213  1
  Ti  Ti763  1  0.362986  0.326891  0.674861  1
  Ti  Ti764  1  0.473181  0.522986  0.630903  1
  Ti  Ti765  1  0.409869  0.663430  0.651597  1
  Ti  Ti766  1  0.696028  0.981290  0.674300  1
  Ti  Ti767  1  0.790746  0.183671  0.635425  1
  Ti  Ti768  1  0.742986  0.328179  0.658316  1
  Ti  Ti769  1  0.126850  0.846675  0.616995  1
  Ti  Ti770  1  0.085129  0.005522  0.664273  1
  Ti  Ti771  1  0.379763  0.824936  0.694286  1
  Ti  Ti772  1  0.462584  0.026280  0.650074  1
  Ti  Ti773  1  0.406747  0.170065  0.651688  1
  Ti  Ti774  1  0.753396  0.840290  0.683394  1
  Ti  Ti775  1  0.033804  0.729511  0.694448  1
  Ti  Ti776  1  0.687096  0.564455  0.719296  1
  Ti  Ti777  1  0.765848  0.746692  0.627052  1
  Ti  Ti778  1  0.017978  0.239183  0.716557  1
  Ti  Ti779  1  0.106837  0.437883  0.653578  1
  Ti  Ti780  1  0.057531  0.580636  0.669395  1
  Ti  Ti781  1  0.465877  0.430308  0.595741  1
  Ti  Ti782  1  0.442782  0.593253  0.641354  1
  Ti  Ti783  1  0.414130  0.756582  0.684603  1
  Ti  Ti784  1  0.825011  0.113855  0.623328  1
  Ti  Ti785  1  0.765651  0.253304  0.645836  1
  Ti  Ti786  1  0.745699  0.421014  0.704012  1
  Ti  Ti787  1  0.089589  0.914009  0.627890  1
  Ti  Ti788  1  0.074509  0.096516  0.699081  1
  Ti  Ti789  1  0.483505  0.928050  0.583072  1
  Ti  Ti790  1  0.427186  0.096892  0.659058  1
  Ti  Ti791  1  0.393501  0.254185  0.668809  1
  Ti  Ti792  1  0.737722  0.910881  0.666488  1
  Ti  Ti793  1  0.848188  0.631624  0.666178  1
  Ti  Ti794  1  0.486500  0.454896  0.651504  1
  Ti  Ti795  1  0.463756  0.619930  0.696372  1
  Ti  Ti796  1  0.846533  0.137953  0.678847  1
  Ti  Ti797  1  0.788671  0.279722  0.699731  1
  Ti  Ti798  1  0.875873  0.477281  0.632674  1
  Ti  Ti799  1  0.157156  0.295925  0.645379  1
  Ti  Ti800  1  0.123181  0.466648  0.707711  1
  Ti  Ti801  1  0.211658  0.643695  0.615136  1
  Ti  Ti802  1  0.500800  0.956367  0.640150  1
  Ti  Ti803  1  0.449547  0.125397  0.709698  1
  Ti  Ti804  1  0.547593  0.315527  0.629707  1
  Ti  Ti805  1  0.789891  0.769028  0.682849  1
  Ti  Ti806  1  0.888841  0.979665  0.631435  1
  Ti  Ti807  1  0.186980  0.804007  0.661233  1
  Ti  Ti808  1  0.109678  0.939773  0.682361  1
  Ti  Ti809  1  0.206681  0.150387  0.624545  1
  Ti  Ti810  1  0.564485  0.817444  0.646200  1
  Ti  Ti811  1  0.909797  0.736864  0.683179  1
  Ti  Ti812  1  0.581718  0.590269  0.693261  1
  Ti  Ti813  1  0.519207  0.730200  0.709390  1
  Ti  Ti814  1  0.903445  0.247589  0.698672  1
  Ti  Ti815  1  0.862492  0.394752  0.715708  1
  Ti  Ti816  1  0.944903  0.585697  0.649278  1
  Ti  Ti817  1  0.237390  0.438741  0.710144  1
  Ti  Ti818  1  0.302732  0.596645  0.588400  1
  Ti  Ti819  1  0.271312  0.756301  0.634043  1
  Ti  Ti820  1  0.566245  0.094929  0.710369  1
  Ti  Ti821  1  0.509849  0.236596  0.704947  1
  Ti  Ti822  1  0.603828  0.426545  0.649976  1
  Ti  Ti823  1  0.847173  0.888478  0.690454  1
  Ti  Ti824  1  0.934230  0.090471  0.651456  1
  Ti  Ti825  1  0.231551  0.917383  0.678975  1
  Ti  Ti826  1  0.317511  0.116669  0.635550  1
  Ti  Ti827  1  0.275039  0.259200  0.645791  1
  Ti  Ti828  1  0.611695  0.930763  0.664933  1
  Ti  Ti829  1  0.935410  0.668778  0.668752  1
  Ti  Ti830  1  0.575163  0.496448  0.660380  1
  Ti  Ti831  1  0.549740  0.661186  0.702244  1
  Ti  Ti832  1  0.927956  0.178474  0.686704  1
  Ti  Ti833  1  0.775662  0.351705  0.710424  1
  Ti  Ti834  1  0.966782  0.514819  0.641093  1
  Ti  Ti835  1  0.248220  0.332008  0.655106  1
  Ti  Ti836  1  0.215492  0.503099  0.712631  1
  Ti  Ti837  1  0.308041  0.688018  0.621618  1
  Ti  Ti838  1  0.587045  0.998917  0.647741  1
  Ti  Ti839  1  0.536323  0.163405  0.714643  1
  Ti  Ti840  1  0.634428  0.357432  0.638674  1
  Ti  Ti841  1  0.870373  0.809625  0.689205  1
  Ti  Ti842  1  0.973564  0.025726  0.637223  1
  Ti  Ti843  1  0.271540  0.848772  0.668050  1
  Ti  Ti844  1  0.195253  0.984030  0.689194  1
  Ti  Ti845  1  0.297644  0.187212  0.633885  1
  Ti  Ti846  1  0.650561  0.861926  0.653934  1
  Ti  Ti847  1  0.076802  0.724944  0.598056  1
  Ti  Ti848  1  0.597628  0.522342  0.713580  1
  Ti  Ti849  1  0.699854  0.716691  0.662498  1
  Ti  Ti850  1  0.939166  0.199767  0.739594  1
  Ti  Ti851  1  0.019763  0.372562  0.633606  1
  Ti  Ti852  1  0.984766  0.540500  0.697721  1
  Ti  Ti853  1  0.380107  0.387779  0.586014  1
  Ti  Ti854  1  0.355719  0.551949  0.634444  1
  Ti  Ti855  1  0.325383  0.714195  0.677975  1
  Ti  Ti856  1  0.604565  0.025492  0.702071  1
  Ti  Ti857  1  0.673579  0.211650  0.636998  1
  Ti  Ti858  1  0.659512  0.379624  0.696018  1
  Ti  Ti859  1  0.004662  0.864440  0.616581  1
  Ti  Ti860  1  0.996713  0.047646  0.692924  1
  Ti  Ti861  1  0.419998  0.911288  0.630406  1
  Ti  Ti862  1  0.339361  0.049454  0.650415  1
  Ti  Ti863  1  0.311534  0.214341  0.688419  1
  Ti  Ti864  1  0.668927  0.888977  0.708493  1
  Al  Al865  1  0.191776  0.807154  0.357105  1
  Al  Al866  1  0.855439  0.628181  0.324739  1
  Al  Al867  1  0.811323  0.785940  0.371540  1
  Al  Al868  1  0.188179  0.315207  0.349688  1
  Al  Al869  1  0.264119  0.483088  0.270372  1
  Al  Al870  1  0.233259  0.646136  0.309078  1
  Al  Al871  1  0.541841  0.476870  0.369335  1
  Al  Al872  1  0.478331  0.619180  0.389487  1
  Al  Al873  1  0.560168  0.801950  0.293067  1
  Al  Al874  1  0.845789  0.137296  0.340259  1
  Al  Al875  1  0.818285  0.303994  0.404554  1
  Al  Al876  1  0.897149  0.485095  0.307979  1
  Al  Al877  1  0.285120  0.989595  0.285015  1
  Al  Al878  1  0.235127  0.142567  0.291643  1
  Al  Al879  1  0.518737  0.965754  0.343289  1
  Al  Al880  1  0.618112  0.154684  0.284229  1
  Al  Al881  1  0.570946  0.316371  0.323588  1
  Al  Al882  1  0.896692  0.990927  0.325357  1
  Al  Al883  1  0.337797  0.714769  0.373142  1
  Al  Al884  1  0.011381  0.547172  0.370079  1
  Al  Al885  1  0.087861  0.737231  0.293726  1
  Al  Al886  1  0.334735  0.214728  0.353255  1
  Al  Al887  1  0.432839  0.410351  0.306539  1
  Al  Al888  1  0.370820  0.550514  0.327128  1
  Al  Al889  1  0.677518  0.381936  0.390133  1
  Al  Al890  1  0.761223  0.564859  0.296094  1
  Al  Al891  1  0.708411  0.706455  0.308726  1
  Al  Al892  1  0.005138  0.058019  0.386767  1
  Al  Al893  1  0.102293  0.245565  0.327514  1
  Al  Al894  1  0.046691  0.389504  0.337390  1
  Al  Al895  1  0.424742  0.911993  0.326732  1
  Al  Al896  1  0.373252  0.053378  0.327915  1
  Al  Al897  1  0.660897  0.873150  0.357442  1
  Al  Al898  1  0.753234  0.071273  0.309835  1
  Al  Al899  1  0.707176  0.219870  0.339998  1
  Al  Al900  1  0.039834  0.895536  0.340507  1
  Al  Al901  1  0.292827  0.756370  0.299227  1
  Al  Al902  1  0.827273  0.543890  0.396604  1
  Al  Al903  1  0.886174  0.716930  0.287197  1
  Al  Al904  1  0.148778  0.203297  0.376491  1
  Al  Al905  1  0.227435  0.397311  0.304407  1
  Al  Al906  1  0.201450  0.559186  0.346281  1
  Al  Al907  1  0.612735  0.404162  0.293357  1
  Al  Al908  1  0.572718  0.561043  0.329916  1
  Al  Al909  1  0.542610  0.731700  0.379012  1
  Al  Al910  1  0.947598  0.076291  0.285675  1
  Al  Al911  1  0.895095  0.216814  0.301542  1
  Al  Al912  1  0.864903  0.387788  0.364119  1
  Al  Al913  1  0.218345  0.894033  0.321342  1
  Al  Al914  1  0.195240  0.060466  0.359657  1
  Al  Al915  1  0.613704  0.914086  0.284298  1
  Al  Al916  1  0.548607  0.050890  0.304641  1
  Al  Al917  1  0.537125  0.230510  0.360337  1
  Al  Al918  1  0.867447  0.896009  0.362144  1
  Al  Al919  1  0.380664  0.801171  0.308284  1
  Al  Al920  1  0.061033  0.650375  0.328135  1
  Al  Al921  1  0.985033  0.785976  0.351484  1
  Al  Al922  1  0.369112  0.300665  0.315951  1
  Al  Al923  1  0.337346  0.464910  0.365287  1
  Al  Al924  1  0.437193  0.661892  0.315474  1
  Al  Al925  1  0.716218  0.480999  0.337320  1
  Al  Al926  1  0.666463  0.622228  0.352067  1
  Al  Al927  1  0.762617  0.824808  0.299235  1
  Al  Al928  1  0.040673  0.139593  0.312548  1
  Al  Al929  1  0.003989  0.308161  0.380088  1
  Al  Al930  1  0.089807  0.492663  0.284354  1
  Al  Al931  1  0.325414  0.969282  0.384303  1
  Al  Al932  1  0.436071  0.159855  0.301098  1
  Al  Al933  1  0.720668  0.984136  0.346754  1
  Al  Al934  1  0.653818  0.121987  0.367080  1
  Al  Al935  1  0.758106  0.326381  0.301130  1
  Al  Al936  1  0.084902  0.999161  0.297219  1
  Al  Al937  1  0.065177  0.769165  0.450591  1
  Al  Al938  1  0.734906  0.602471  0.452501  1
  Al  Al939  1  0.693455  0.764464  0.516850  1
  Al  Al940  1  0.072191  0.290744  0.484324  1
  Al  Al941  1  0.136312  0.455090  0.365272  1
  Al  Al942  1  0.105528  0.611644  0.401860  1
  Al  Al943  1  0.408962  0.447011  0.464407  1
  Al  Al944  1  0.348035  0.586401  0.485764  1
  Al  Al945  1  0.443910  0.784739  0.435857  1
  Al  Al946  1  0.724973  0.106506  0.468075  1
  Al  Al947  1  0.682350  0.255139  0.497470  1
  Al  Al948  1  0.769453  0.447667  0.421020  1
  Al  Al949  1  0.145383  0.971552  0.406172  1
  Al  Al950  1  0.099435  0.122574  0.414155  1
  Al  Al951  1  0.400946  0.950072  0.483724  1
  Al  Al952  1  0.476288  0.124678  0.380983  1
  Al  Al953  1  0.438513  0.283955  0.417157  1
  Al  Al954  1  0.767034  0.944752  0.420602  1
  Al  Al955  1  0.210257  0.679830  0.466780  1
  Al  Al956  1  0.880501  0.510352  0.484429  1
  Al  Al957  1  0.962808  0.694128  0.386041  1
  Al  Al958  1  0.213458  0.185409  0.478213  1
  Al  Al959  1  0.300284  0.381029  0.402320  1
  Al  Al960  1  0.241086  0.520275  0.423520  1
  Al  Al961  1  0.543475  0.350941  0.482383  1
  Al  Al962  1  0.645590  0.543621  0.429594  1
  Al  Al963  1  0.585599  0.687008  0.450272  1
  Al  Al964  1  0.870289  0.015061  0.484192  1
  Al  Al965  1  0.959558  0.198878  0.402350  1
  Al  Al966  1  0.927219  0.367554  0.468438  1
  Al  Al967  1  0.295615  0.877960  0.419987  1
  Al  Al968  1  0.255063  0.041518  0.468185  1
  Al  Al969  1  0.549039  0.853728  0.500183  1
  Al  Al970  1  0.621097  0.035416  0.404435  1
  Al  Al971  1  0.576619  0.191926  0.439710  1
  Al  Al972  1  0.914972  0.856595  0.434985  1
  Al  Al973  1  0.166011  0.720432  0.391159  1
  Al  Al974  1  0.692196  0.503076  0.510115  1
  Al  Al975  1  0.772789  0.684800  0.416277  1
  Al  Al976  1  0.025077  0.179891  0.504367  1
  Al  Al977  1  0.114016  0.372636  0.440651  1
  Al  Al978  1  0.064761  0.514465  0.456174  1
  Al  Al979  1  0.472874  0.369897  0.382074  1
  Al  Al980  1  0.444717  0.532180  0.426736  1
  Al  Al981  1  0.414300  0.696121  0.471596  1
  Al  Al982  1  0.822424  0.053938  0.410064  1
  Al  Al983  1  0.768958  0.192107  0.430345  1
  Al  Al984  1  0.745934  0.362750  0.492013  1
  Al  Al985  1  0.088857  0.856789  0.414459  1
  Al  Al986  1  0.075660  0.040005  0.489453  1
  Al  Al987  1  0.483456  0.870961  0.373100  1
  Al  Al988  1  0.433294  0.034348  0.448456  1
  Al  Al989  1  0.403787  0.197435  0.456642  1
  Al  Al990  1  0.739120  0.854209  0.456478  1
  Al  Al991  1  0.270778  0.790686  0.455035  1
  Al  Al992  1  0.921441  0.608540  0.424122  1
  Al  Al993  1  0.860687  0.746173  0.442474  1
  Al  Al994  1  0.254253  0.296493  0.460037  1
  Al  Al995  1  0.205218  0.436521  0.464529  1
  Al  Al996  1  0.308344  0.627359  0.408145  1
  Al  Al997  1  0.580996  0.436814  0.446130  1
  Al  Al998  1  0.550936  0.599165  0.489516  1
  Al  Al999  1  0.638008  0.783539  0.392099  1
  Al  Al1000  1  0.911742  0.118673  0.439912  1
  Al  Al1001  1  0.866091  0.258395  0.460342  1
  Al  Al1002  1  0.955530  0.453376  0.395450  1
  Al  Al1003  1  0.193527  0.928928  0.477460  1
  Al  Al1004  1  0.293476  0.128664  0.392770  1
  Al  Al1005  1  0.593660  0.947741  0.440851  1
  Al  Al1006  1  0.522896  0.087554  0.463034  1
  Al  Al1007  1  0.639976  0.297863  0.424065  1
  Al  Al1008  1  0.971559  0.970914  0.425564  1
  Al  Al1009  1  0.935097  0.728740  0.542050  1
  Al  Al1010  1  0.625682  0.578622  0.590438  1
  Al  Al1011  1  0.561506  0.721930  0.610918  1
  Al  Al1012  1  0.929424  0.239502  0.560727  1
  Al  Al1013  1  0.018712  0.432053  0.495983  1
  Al  Al1014  1  0.983387  0.586663  0.526728  1
  Al  Al1015  1  0.273388  0.416992  0.563927  1
  Al  Al1016  1  0.219419  0.556531  0.584106  1
  Al  Al1017  1  0.315823  0.748874  0.530424  1
  Al  Al1018  1  0.598573  0.072062  0.564118  1
  Al  Al1019  1  0.548376  0.224520  0.597226  1
  Al  Al1020  1  0.651320  0.416655  0.547572  1
  Al  Al1021  1  0.019659  0.928676  0.498644  1
  Al  Al1022  1  0.978858  0.093674  0.545776  1
  Al  Al1023  1  0.274751  0.910418  0.577775  1
  Al  Al1024  1  0.347575  0.097765  0.485585  1
  Al  Al1025  1  0.305121  0.250544  0.510178  1
  Al  Al1026  1  0.638688  0.903882  0.511870  1
  Al  Al1027  1  0.094580  0.649119  0.589832  1
  Al  Al1028  1  0.760121  0.481721  0.612912  1
  Al  Al1029  1  0.845004  0.664324  0.515522  1
  Al  Al1030  1  0.087730  0.159643  0.608432  1
  Al  Al1031  1  0.180622  0.355327  0.546928  1
  Al  Al1032  1  0.129528  0.494175  0.558570  1
  Al  Al1033  1  0.411405  0.317707  0.575830  1
  Al  Al1034  1  0.517805  0.513288  0.527068  1
  Al  Al1035  1  0.455003  0.653871  0.547892  1
  Al  Al1036  1  0.742858  0.976968  0.578086  1
  Al  Al1037  1  0.836573  0.173898  0.531523  1
  Al  Al1038  1  0.792030  0.314374  0.554400  1
  Al  Al1039  1  0.169137  0.839713  0.514059  1
  Al  Al1040  1  0.124777  0.999663  0.561347  1
  Al  Al1041  1  0.421043  0.817400  0.594702  1
  Al  Al1042  1  0.506472  0.017386  0.547687  1
  Al  Al1043  1  0.451186  0.157831  0.545990  1
  Al  Al1044  1  0.787439  0.812383  0.527588  1
  Al  Al1045  1  0.032683  0.674842  0.486770  1
  Al  Al1046  1  0.554832  0.471095  0.604839  1
  Al  Al1047  1  0.655575  0.664879  0.551874  1
  Al  Al1048  1  0.907620  0.155283  0.631446  1
  Al  Al1049  1  0.977327  0.320679  0.523009  1
  Al  Al1050  1  0.945886  0.488523  0.585970  1
  Al  Al1051  1  0.342114  0.337727  0.474384  1
  Al  Al1052  1  0.313610  0.501184  0.523654  1
  Al  Al1053  1  0.285605  0.661890  0.566730  1
  Al  Al1054  1  0.696602  0.018489  0.504508  1
  Al  Al1055  1  0.630273  0.157975  0.525082  1
  Al  Al1056  1  0.613650  0.331744  0.582562  1
  Al  Al1057  1  0.964313  0.815052  0.506606  1
  Al  Al1058  1  0.950932  0.998819  0.582716  1
  Al  Al1059  1  0.375291  0.860187  0.518736  1
  Al  Al1060  1  0.298840  0.998909  0.541242  1
  Al  Al1061  1  0.277020  0.163696  0.577690  1
  Al  Al1062  1  0.627297  0.834256  0.599116  1
  Al  Al1063  1  0.143336  0.753667  0.549968  1
  Al  Al1064  1  0.802050  0.581319  0.557145  1
  Al  Al1065  1  0.747289  0.721804  0.571883  1
  Al  Al1066  1  0.118000  0.244523  0.534711  1
  Al  Al1067  1  0.086829  0.410668  0.599167  1
  Al  Al1068  1  0.171651  0.593544  0.502660  1
  Al  Al1069  1  0.446839  0.405064  0.540238  1
  Al  Al1070  1  0.421217  0.567485  0.586090  1
  Al  Al1071  1  0.520323  0.765187  0.534914  1
  Al  Al1072  1  0.802123  0.088168  0.567961  1
  Al  Al1073  1  0.741688  0.227502  0.590167  1
  Al  Al1074  1  0.834053  0.426818  0.521862  1
  Al  Al1075  1  0.068111  0.888775  0.572492  1
  Al  Al1076  1  0.164334  0.103669  0.514094  1
  Al  Al1077  1  0.461360  0.905168  0.529005  1
  Al  Al1078  1  0.408482  0.069118  0.605042  1
  Al  Al1079  1  0.507807  0.265639  0.518510  1
  Al  Al1080  1  0.846794  0.928378  0.519344  1
  Al  Al1081  1  0.818260  0.701060  0.670571  1
  Al  Al1082  1  0.493454  0.549095  0.685465  1
  Al  Al1083  1  0.431009  0.689701  0.705417  1
  Al  Al1084  1  0.812236  0.208576  0.691023  1
  Al  Al1085  1  0.901206  0.405398  0.625885  1
  Al  Al1086  1  0.851659  0.548369  0.642469  1
  Al  Al1087  1  0.154401  0.395926  0.703018  1
  Al  Al1088  1  0.099831  0.536963  0.714876  1
  Al  Al1089  1  0.189700  0.713450  0.623455  1
  Al  Al1090  1  0.481965  0.052961  0.703344  1
  Al  Al1091  1  0.424730  0.196856  0.705119  1
  Al  Al1092  1  0.516608  0.385426  0.639815  1
  Al  Al1093  1  0.891185  0.887008  0.592089  1
  Al  Al1094  1  0.850697  0.047581  0.641676  1
  Al  Al1095  1  0.148531  0.871946  0.671430  1
  Al  Al1096  1  0.229776  0.073419  0.625174  1
  Al  Al1097  1  0.181683  0.223973  0.636295  1
  Al  Al1098  1  0.528960  0.887591  0.655106  1
  Al  Al1099  1  0.963302  0.611997  0.702398  1
  Al  Al1100  1  0.626250  0.450832  0.704776  1
  Al  Al1101  1  0.729672  0.645336  0.650350  1
  Al  Al1102  1  0.954793  0.114605  0.706694  1
  Al  Al1103  1  0.043493  0.301065  0.624729  1
  Al  Al1104  1  0.010488  0.469710  0.684633  1
  Al  Al1105  1  0.291986  0.285432  0.698283  1
  Al  Al1106  1  0.383824  0.481940  0.622725  1
  Al  Al1107  1  0.324741  0.622123  0.642916  1
  Al  Al1108  1  0.630770  0.957246  0.716708  1
  Al  Al1109  1  0.706160  0.140721  0.626538  1
  Al  Al1110  1  0.654809  0.289636  0.653973  1
  Al  Al1111  1  0.042652  0.794992  0.606275  1
  Al  Al1112  1  0.000463  0.959722  0.656114  1
  Al  Al1113  1  0.293465  0.782395  0.688545  1
  Al  Al1114  1  0.378263  0.980337  0.640513  1
  Al  Al1115  1  0.334497  0.143201  0.689006  1
  Al  Al1116  1  0.672876  0.789784  0.669810  1
  Al  Al1117  1  0.910870  0.644021  0.615371  1
  Al  Al1118  1  0.422308  0.439488  0.697877  1
  Al  Al1119  1  0.528172  0.634686  0.647859  1
  Al  Al1120  1  0.779921  0.118630  0.721628  1
  Al  Al1121  1  0.857013  0.294361  0.653005  1
  Al  Al1122  1  0.826936  0.464188  0.714563  1
  Al  Al1123  1  0.230359  0.304876  0.600655  1
  Al  Al1124  1  0.196682  0.475598  0.659311  1
  Al  Al1125  1  0.147004  0.618079  0.674445  1
  Al  Al1126  1  0.566147  0.972883  0.593794  1
  Al  Al1127  1  0.519369  0.134817  0.662745  1
  Al  Al1128  1  0.481552  0.299269  0.676886  1
  Al  Al1129  1  0.855004  0.783896  0.635702  1
  Al  Al1130  1  0.820140  0.957913  0.675738  1
  Al  Al1131  1  0.249087  0.822849  0.612925  1
  Al  Al1132  1  0.172386  0.959081  0.634786  1
  Al  Al1133  1  0.156249  0.138084  0.708535  1
  Al  Al1134  1  0.501062  0.798799  0.692496  1
  Al  Al1135  1  0.001558  0.710335  0.641539  1
  Al  Al1136  1  0.664219  0.537817  0.666217  1
  Al  Al1137  1  0.637499  0.701213  0.709033  1
  Al  Al1138  1  0.996147  0.218652  0.661140  1
  Al  Al1139  1  0.951096  0.359920  0.680489  1
  Al  Al1140  1  0.038164  0.554121  0.614443  1
  Al  Al1141  1  0.331745  0.395439  0.686592  1
  Al  Al1142  1  0.292496  0.537070  0.683142  1
  Al  Al1143  1  0.391778  0.730367  0.629676  1
  Al  Al1144  1  0.676018  0.052813  0.662873  1
  Al  Al1145  1  0.611618  0.194885  0.683876  1
  Al  Al1146  1  0.720912  0.397387  0.648931  1
  Al  Al1147  1  0.943989  0.847780  0.664098  1
  Al  Al1148  1  0.054885  0.071638  0.644757  1
  Al  Al1149  1  0.354668  0.893157  0.676511  1
  Al  Al1150  1  0.276249  0.031917  0.696792  1
  Al  Al1151  1  0.373315  0.230013  0.613242  1
  Al  Al1152  1  0.722959  0.885146  0.611948  1
