../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
C H N O
AB3C5D4_oP52_19_a_3a_5a_4a
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 x12 y12 z12 x13 y13 z13
standard
1
5.274 1.8472696 2.1609025 0.51748051 0.45450127 0.41433373 0.49110745 0.65742219 0.44186075 0.74044886 0.60356929 0.34581704 0.5784034 0.24537367 0.37506486 0.17961819 0.49030208 0.54233154 0.33166403 0.40325657 0.48304659 0.59057556 0.58262262 0.3994517 0.63269213 0.34653622 0.35558291 0.84533336 0.35381497 0.28470207 0.19218306 0.61859283 0.5350021 0.0154493 0.43247762 0.60595435 0.95218938 0.46586001 0.27051962 0.9101741 0.24351277 0.24089544
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000