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=995944.0337829201 stress="-146275.4510860531 -36432.01942095833 15154.719928996377 -36432.01942095833 -167745.92907367772 25547.977314255346 15154.719928996377 25547.977314255346 -131039.31832574792" pbc="T T T" Th -0.16543093 0.06058615 0.15082461 1434272.50242250 -399902.23899980 -1436042.28961368 Th 1.51640695 1.48649222 0.32824771 -679017.49832331 1687446.56636469 -1555425.48814281 Th 1.72864654 0.24714318 1.24605092 -2594603.98074794 -2977755.67719282 2163184.13240571 Th -0.22155239 1.34451738 1.53877568 1839348.97664875 1690211.34982793 828283.64535077