../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
C H N O
AB4C4D2_aP44_2_2i_8i_8i_4i
a b/a c/a alpha beta gamma 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 x14 y14 z14 x15 y15 z15 x16 y16 z16 x17 y17 z17 x18 y18 z18 x19 y19 z19 x20 y20 z20 x21 y21 z21 x22 y22 z22
standard
1
4.6692 2.0595391 2.3540007 85.9186 99.9989 77.5227 0.12328596 0.68833214 0.94405784 0.24233505 0.67481761 0.74329213 0.28751347 0.47809483 0.67755961 0.32298576 0.61764881 0.57358663 0.21601656 0.88754503 0.76943875 0.18410823 0.85040683 0.61525635 0.80872337 0.85306044 0.987039 0.80784154 0.85095895 0.82864111 0.093406664 0.66664621 0.12800664 0.39756078 0.54668391 0.086657763 0.54004699 0.091041342 0.70597518 0.22102149 0.63531942 0.063913038 0.88981751 0.80356954 0.91688319 0.25865443 0.61805537 0.86031968 0.19858642 0.81541748 0.70671696 0.28467702 0.58343822 0.65766836 0.33073756 0.15690925 0.76914264 0.58763805 0.17212251 0.60503015 0.43834845 0.29412414 0.56019633 0.80033954 0.10546599 0.56057226 0.19971516 0.28638766 0.75332662 0.28533174 0.070391748 0.85205765
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003