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=-10.991062572839065 stress="0.5636772813005893 -0.21078953234364825 0.08535026727060614 -0.21078953234364825 0.6733539650360276 0.13297219607784158 0.08535026727060614 0.13297219607784158 0.35941492746505904" free_energy=-10.991062572839065 pbc="F T F" C 0.08611608 0.03369179 0.22669139 7.03561815 -2.63910484 3.78457042 C 1.22329650 1.46375436 0.29874826 -4.68061424 5.93017819 4.86428908 C 1.27290972 -0.11909813 1.36136659 -8.20215394 -0.94168462 -6.64945977 C 0.05835534 0.94988596 1.48193431 5.84715004 -2.34938874 -1.99939973