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=7.716674053892042 stress="-1.7882293144067813 0.20847095000248797 -0.07213125566281127 0.20847095000248797 -1.9003523998643492 0.3593731778063491 -0.07213125566281127 0.3593731778063491 -1.9230145925555067" free_energy=7.716674053892042 pbc="F F T" V 0.13215382 0.03922890 -0.12310674 -15.64224959 -19.33794451 -0.56502733 V 1.61719846 1.77680686 0.09967038 9.49138982 12.77679305 -4.78366800 V 1.49640474 0.06224969 1.15687589 25.06213179 -18.03773605 6.63497826 V 0.13236414 1.23944939 1.51619234 -18.91127203 24.59888752 -1.28628294