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=-5.343974860674679 stress="-2.8689615178865644 1.088501824898207 0.2895605161310789 1.088501824898207 -4.030453189696273 0.7656879168873926 0.2895605161310789 0.7656879168873926 -2.834305175540962" free_energy=-5.343974860674679 pbc="T T T" N 2.85540510 0.11115480 0.11044915 20.33464328 -20.16202896 -3.06413261 N 1.70960170 1.31143450 2.71512922 -25.67842546 -8.76375905 26.09640028 N 1.49088986 2.54375720 1.64041416 -27.60983594 37.93468633 -15.21193834 N 2.77812781 1.51878885 1.32834452 32.95361812 -9.00889832 -7.82032932