../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner O Si A2B_hP36_163_ghi_i a c/a x2 x3 y3 z3 x4 y4 z4 standard 1 8.293 0.90952611 0.8005223 0.83505567 0.14328518 0.5881771 0.64929852 0.93929332 0.57255935 Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000