../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
O Ti
A5B3_mC32_12_5i_3i
a b/a c/a beta x1 z1 x2 z2 x3 z3 x4 z4 x5 z5 x6 z6 x7 z7 x8 z8
standard
3
10.1217 0.38359169 1.4395902 135 0.038526907 0.2643734 0.82665039 0.87914359 0.56785249 0.61169687 0.61008107 0.92442243 0.25161229 0.56166863 0.43908321 0.24570297 0.92189657 0.059019754 0.30035526 0.4359548
9.9021 0.39211884 0.97456095 88.3345 0.32222634 0.060025239 0.76336538 0.24441305 0.41094947 0.34438608 0.04711145 0.15702864 0.13497448 0.44172838 0.87400951 0.043482899 0.22236297 0.26547103 0.94622108 0.36770786
10.2754 0.38200946 0.93255737 89.2028 0.23420874 0.75166158 0.044270641 0.15390744 0.11933653 0.43332924 0.31653263 0.063396171 0.40416166 0.34867564 0.77667883 0.73651085 0.13607711 0.95252503 0.062119092 0.63318453
Sim_LAMMPS_Buckingham_MatsuiAkaogi_1991_TiO__SM_690504433912_000