4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=106.84665983911431 stress="-194.04573016605042 -54.89625011974592 -107.76688648980885 -54.89625011974592 -618.7283200060539 506.72409960060617 -107.76688648980885 506.72409960060617 -636.2257325066734" pbc="F T T" user01 0.04852473 0.05473499 -0.08438932 -121.74968183 -339.70924207 98.80716494 user01 0.63307252 0.63673464 0.07789707 206.09130955 963.03464700 -721.31003503 user01 0.54869006 0.10835424 0.51735611 77.93405574 -898.47255287 928.17470069 user01 -0.16466555 0.49148635 0.83611608 -162.27568345 275.14714794 -305.67183060