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=34.98622360265288 stress="-117.62160174914933 -11.931990955680092 -9.53574507154741 -11.931990955680092 -106.51468205230427 20.34630568259837 -9.53574507154741 20.34630568259837 -135.36893456855705" pbc="F F F" U 0.03369179 0.02598936 -0.27670350 -48.65355306 -35.26244085 -39.21892253 U 1.46375436 1.40583543 -0.24440284 36.09340692 55.66653493 -45.70104879 U 1.20178472 0.29874826 1.27290972 51.42381483 -53.59459134 66.52067587 U -0.11909813 1.36136659 1.55835534 -38.86366868 33.19049727 18.39929545