../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
C H N O
A2B10C2D5_oP38_18_c_5c_c_a2c
a b/a c/a 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
8.0174 1.2858034 0.4833113 0.19409424 0.90702808 0.47598852 0.070202081 0.9020535 0.019411385 0.044083369 0.52277478 0.23093938 0.26783714 0.56673788 0.35172311 0.56389021 0.71324147 0.30099841 0.27417955 0.65155603 0.20036088 0.6041027 0.61332131 0.27174555 0.42924508 0.79499855 0.55888524 0.13969828 0.88128151 0.35691894 0.0039016867
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000