../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
O Si
A2B_tI24_82_2g_g
a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3
standard
1
8.8464 0.57415446 0.7098581 0.73062541 0.53483226 0.50330805 0.79536838 0.17467696 0.17694735 0.32452774 0.76675232
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003