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=73.69757952522518 stress="-12.073677010447128 0.4519639823868434 0.3004615822681987 0.4519639823868434 -9.009004067601362 -0.70900169441641 0.3004615822681987 -0.70900169441641 -15.737015651188203" free_energy=73.69757952522518 pbc="F F T" W 0.23010044 0.09566688 0.12528982 -154.74517429 -79.62096382 -93.90335652 W 1.62033173 1.67828948 0.21182891 95.71500403 61.74326541 -56.23837202 W 1.29301824 0.07255377 1.51129231 160.69839729 -73.53138497 80.23052260 W 0.01258782 1.66911338 1.30454100 -101.66822702 91.40908338 69.91120594