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=48.768086961932646 stress="-4.803110030937214 -0.8548663924211274 -0.6431571805843113 -0.8548663924211274 -4.31979258292582 0.7682102648190976 -0.6431571805843113 0.7682102648190976 -4.406668715491196" free_energy=48.768086961932646 pbc="T F F" Si 0.18220204 0.23573857 0.02724172 -61.30157211 -48.87149059 -41.44656347 Si 1.27538150 1.20296332 0.22083292 49.64239784 85.06594879 -49.81214730 Si 1.28984966 0.18107110 1.32825321 28.78293381 -59.01374239 68.40497099 Si 0.13102478 1.59995250 1.76120756 -17.12375954 22.81928418 22.85373978