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=2.9892412715156857 stress="-0.6919022957381714 -0.09434056720264489 0.11780241659470808 -0.09434056720264489 -1.2222364130806145 0.08051494029084993 0.11780241659470808 0.08051494029084993 -1.1629706651604623" free_energy=2.9892412715156857 pbc="F T T" Li 0.22094491 0.23171545 0.18190327 -6.38112290 -0.47803956 -1.29310248 Li 1.32183498 1.71219253 -0.07514625 6.28145539 -3.21080902 2.37782144 Li 1.62990665 -0.21779550 1.78278197 7.51495844 4.25301032 -3.80830591 Li 0.06210000 1.70397289 1.32702941 -7.41529094 -0.56416174 2.72358694