../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
C Fe
AB3_tI32_82_g_3g
a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4
standard
1
8.9456 0.48896664 0.79458244 0.53940358 0.48029197 0.48155879 0.85780249 0.021213894 0.28349347 0.67919717 0.27391477 0.6055782 0.41515857 0.74880071
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000