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:forces:R:3 energy=29682.429940917475 stress="-133031.2796103051 -41082.27366000662 -7787.611659290938 -41082.27366000662 -120961.93093795232 -5994.070813397404 -7787.611659290938 -5994.070813397404 -110135.08011834958" pbc="F F F" La 0.29780872 0.08672274 0.03172660 -58503.81086473 -53981.72147458 -45635.84070474 La 1.79345136 1.50432266 0.21837945 64367.67307577 53227.93105054 -24453.73048082 La 1.60261614 -0.10950145 1.75733191 22654.24589375 -24617.72368531 39850.36104628 La 0.04530897 1.68991547 1.55072937 -28518.10810479 25371.51410935 30239.21013928