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=-7.464003610349708 stress="0.5387536755300878 0.1613776564888495 -0.22718083819427068 0.1613776564888495 0.4709320500348701 -0.3395551881484096 -0.22718083819427068 -0.3395551881484096 0.583236623540948" free_energy=-7.464003610349708 pbc="F F T" C 0.05835534 0.20070203 2.70342959 7.21077964 6.71418722 -5.72144152 C 1.40085166 1.49793547 0.28187239 -7.44991613 -5.87732645 5.76846144 C 1.51001192 0.10170120 1.37793365 -3.00235270 2.30915747 -1.06876165 C 0.00082602 1.74624097 1.64302402 3.24148919 -3.14601824 1.02174172