../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Si A_tP106_137_a5g4h a c/a y2 z2 y3 z3 y4 z4 y5 z5 y6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9 x10 y10 z10 standard 1 10.1614 2.3850257 0.93992864 0.19609985 0.87847441 0.10226691 0.13030281 0.77487209 0.98453855 0.85341975 0.13332475 0.92680675 0.43292986 0.065760748 0.72131569 0.45643579 0.87171028 0.86152967 0.57092716 0.9958931 0.93303081 0.43052092 0.13256247 0.98508065 Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000