../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Ca O Si
A3B5C_mC54_8_3a3b_9a3b_3a
a b/a c/a beta x1 z1 x2 z2 x3 z3 x4 z4 x5 z5 x6 z6 x7 z7 x8 z8 x9 z9 x10 z10 x11 z11 x12 z12 x13 z13 x14 z14 x15 z15 x16 y16 z16 x17 y17 z17 x18 y18 z18 x19 y19 z19 x20 y20 z20 x21 y21 z21
standard
1
12.4033 0.57759628 0.9657188 133.753 0.031650806 0.32071133 0.95983675 0.67801923 0.51343087 0.0096214455 0.30149763 0.45131852 0.0029943997 0.50513678 0.91803675 0.063256047 0.64162026 0.27463756 0.87194075 0.81133456 0.69049868 0.52955215 0.76655934 0.14870021 0.26134485 0.89145177 0.34970353 0.71183554 0.43069994 0.64531127 0.56161965 0.34066414 0.00018156839 0.99974051 0.75645761 0.24119291 0.012256696 0.80375968 0.77409786 0.31855953 0.19739195 0.23939895 0.67601528 0.60310106 0.68778974 0.058897812 0.95774636 0.31250488 0.28009789 0.038285454 0.31240887 0.71292727
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003