4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=126378.74554947096 pbc="T F F" Th 0.27952421 0.27733773 0.29265466 90 -155665.39239288 -354375.92893407 -229236.69519904 Th 1.61133840 1.42067585 -0.28240979 90 112676.41164486 159467.08358469 -118254.08369521 Th 1.48295584 -0.29142472 1.64532204 90 90348.94720995 -60174.15136616 122980.60264990 Th -0.09935816 1.65904656 1.38310759 90 -47359.96646193 255082.99671554 224510.17624435