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=636.0076461270021 stress="-674.9917310598032 135.76434320203558 862.8291842887106 135.76434320203558 -2610.9393260122406 1839.5891951040032 862.8291842887106 1839.5891951040032 -3039.685204375076" pbc="F T T" user01 0.13661615 -0.09519967 -0.12280496 -1401.58816439 1387.28420789 741.73545429 user01 0.51244442 0.86041876 -0.23264389 433.16627112 -4968.90628275 3439.63817965 user01 0.58533445 -0.25851365 0.83611608 1275.45509081 4074.12713454 -5285.72237575 user01 0.33244006 0.54889907 0.35419836 -307.03319755 -492.50505969 1104.34874181