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=-0.9508934775282373 stress="0.057370321027961725 -0.0051454705487528575 -0.009291116635383427 -0.0051454705487528575 0.07538387041980442 -0.0018439248314984686 -0.009291116635383427 -0.0018439248314984686 0.08231641006404201" pbc="F T T" user03 0.21359890 -0.05510551 0.07857422 0.56622944 -0.36258164 0.17212409 user03 1.48889771 1.77742877 0.30278315 -0.67056069 0.48884046 0.22192368 user03 1.58543962 -0.13353529 1.72014157 -0.42640580 -0.32365123 -0.07165091 user03 0.00846423 1.56924533 1.31977501 0.53073706 0.19739240 -0.32239687