../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Ca O Si
AB3C_mC120_15_c3ef_9f_3f
a b/a c/a beta y2 y3 y4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9 x10 y10 z10 x11 y11 z11 x12 y12 z12 x13 y13 z13 x14 y14 z14 x15 y15 z15 x16 y16 z16 x17 y17 z17
standard
1
6.9082 1.735358 3.0234214 108.6507 0.40655578 0.078627508 0.75590335 0.23683671 0.91400252 8.2178727e-05 0.56889531 0.96841358 0.37484754 0.23610187 0.082546011 0.37631899 0.14418434 0.7646386 0.05251622 0.20231456 0.89935818 0.30638954 0.57221105 0.19244397 0.37384806 0.1064571 0.079799042 0.056433313 0.26039576 0.077687961 0.20195344 0.29228968 0.76203915 0.19736748 0.35395104 0.90435927 0.45189388 0.33211242 0.21099019 0.37504687 0.28501838 0.079574951 0.12787147 0.3298942 0.95267044 0.37779713
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003