../../td/EquilibriumCrystalStructure__TD_457028483760_002/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
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003