../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
S
A_oF128_70_4h
a b/a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4
standard
4
34.1558 0.95993067 0.076247665 0.2212178 0.49993077 0.25081987 0.84636838 0.4301017 0.37385657 0.75117391 0.095226175 0.62185584 0.90365716 0.071684784 0.37596804
25.0129 0.49370125 0.38439765 0.54949586 0.70629971 0.10332613 0.92503906 0.78913871 0.5354127 0.99559664 0.73680854 0.44552468 0.8699365 0.66513164 0.53185615
25.4018 0.50089364 0.39427127 0.0486802 0.70393681 0.60344926 0.92619683 0.78476999 0.53454426 0.99610122 0.73442503 0.45067305 0.8730938 0.6621998 0.53407615
31.043 0.50279612 0.057210965 0.84361895 0.31255776 0.90037401 0.21905628 0.31240393 0.45268347 0.21883364 0.68743658 0.069979233 0.093444906 0.31210375 0.73032021
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000