../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Ca O Si
AB3C_mC60_15_cf_e4f_ef
a b/a c/a beta y2 y3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9
standard
1
11.9381 0.58022633 0.88992386 68.7243 0.64224576 0.15998367 0.58736331 0.26068516 0.00102159 0.62777594 0.09569984 0.40375269 0.72911977 0.10105419 0.11269278 0.6116703 0.80619913 0.2522659 0.54989768 0.55625788 0.10542368 0.62791414 0.047113149 0.25549728
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000