../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
C H N O
AB4C4D2_oF176_43_b_4b_4b_2b
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 x11 y11 z11
standard
1
27.1759 0.5943759 0.15310624 0.37471021 0.44852943 0.86279886 0.31277539 0.51410753 0.026203689 0.36926555 0.54943366 0.16090229 0.4423825 0.48337049 0.020974118 0.44404683 0.40209987 0.73568824 0.35041268 0.50624389 0.024474326 0.42367161 0.4441945 0.87383173 0.3538587 0.38665619 0.6700327 0.30814632 0.3722095 0.62088071 0.27553954 0.42177651 0.77372297 0.47732332 0.34918462 0.44202619
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000