../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
C H N
AB5C3_oP36_19_a_5a_3a
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
standard
1
6.522 1.0139528 1.1873352 0.26693512 0.48422393 0.17988127 0.72835888 0.64855293 0.91486828 0.11198488 0.64498324 0.34218341 0.89001173 0.57521991 0.080278964 0.82346667 0.40366016 0.92704658 0.64164779 0.48122832 0.065427497 0.13046304 0.61891515 0.21215886 0.39241716 0.36282205 0.13450804 0.77147555 0.5297088 0.99675561
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003