../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner O Si A2B_oC24_20_abc_c a b/a c/a x1 y2 x3 y3 z3 x4 y4 z4 standard 3 5.228 1.7475708 1.6333206 0.55290508 0.66719857 0.69328608 0.25143557 0.52304158 0.4601064 0.16667141 0.43752908 8.2987 1.0566474 0.57393327 0.23381864 0.84245789 0.69381051 0.20626716 0.88415581 0.8175001 0.16432761 0.62965909 5.0819 1.7973593 1.6378126 0.59667279 0.67012044 0.63011104 0.25779259 0.54450889 0.4179273 0.16722448 0.43746944 Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000