../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
C H N O
AB5CD3_oP80_56_e_5e_e_3e
a b/a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9 x10 y10 z10
standard
1
7.3623 1.4579683 1.1907149 0.98964561 0.24857824 0.84503725 0.6905475 0.066103174 0.66363505 0.36714223 0.033461132 0.86758769 0.79860759 0.061553444 0.49151047 0.16251162 0.061315668 0.94847417 0.018448938 0.23456141 0.62206265 0.7542386 0.0088392377 0.58400779 0.017093971 0.1923506 0.97181226 0.031016942 0.18197774 0.72007689 0.92976349 0.35988107 0.83177077
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000