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=377392.49866323033 stress="-73158.0629853887 -2812.5821447241124 25395.16123234971 -2812.5821447241124 -35966.22879422414 8857.636881227285 25395.16123234971 8857.636881227285 -59741.80312884209" pbc="F F T" Ce 0.13128765 0.30461748 -0.23447815 -456388.22091751 -220562.29085391 -339011.46905860 Ce 1.23316229 1.70637649 0.21340132 1209305.36420225 562103.19093516 -1002401.71063626 Ce 1.42560778 0.09452477 0.93678723 385272.49395522 -412877.78719398 414293.42628645 Ce 0.00468410 1.65612515 1.23945160 -1138189.63723996 71336.88711273 927119.75340841