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=59.28905739864688 stress="-139.66541657342714 9.23918454373186 0.5883255642955447 9.23918454373186 -114.40239744567867 -10.504352805015195 0.5883255642955447 -10.504352805015195 -129.5404477667075" pbc="F F F" S -0.00957146 -0.14312801 -0.02335587 -45.07058157 -31.97314425 -48.52063883 S 1.74122900 1.52201293 -0.18365652 28.58359715 33.55184022 -32.16563044 S 1.42534241 -0.01433724 1.31443107 64.23217843 -49.14484186 37.22114879 S 0.04376171 1.22051529 1.69273990 -47.74519401 47.56614588 43.46512048