../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Ca O Si
A2B4C_mP28_14_2e_4e_e
a b/a c/a beta x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7
standard
1
12.8991 0.47067625 0.94183315 154.3584 0.24297983 0.65472244 0.73408468 0.25702596 0.089305958 0.56129139 0.12158544 0.95112095 0.72065888 0.49193301 0.20152263 0.1551215 0.074114535 0.39067899 0.70372689 0.36433237 0.26748931 0.82538496 0.25958703 0.18674694 0.84694729
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003