../../td/EquilibriumCrystalStructure__TD_457028483760_002/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
SW_MX2_KurniawanPetrieWilliams_2021_MoS__MO_677328661525_000