../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Se A_mP4_4_2a a b/a c/a beta x1 y1 z1 x2 y2 z2 standard 1 5.0534 1.6130328 0.54317885 91.2844 0.89878826 0.0038225316 0.99460651 0.60075739 0.22617747 0.97196596 Tersoff_LAMMPS_ZhangNguyen_2021_MoSe__MO_152208847456_001