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=64.05746457550906 stress="-6.558467731310991 0.059107317470260726 -0.03669083881420398 0.059107317470260726 -3.666037216419003 -0.01733642723142473 -0.03669083881420398 -0.01733642723142473 -6.56381387511174" free_energy=64.05746457550906 pbc="T F T" W -0.28776729 0.17379638 -0.07404652 3.90075743 -37.29070481 -0.65686530 W 1.27047667 1.37252202 -0.00609012 1.87745296 36.45989960 -6.23827091 W 1.44057204 0.20040666 1.55646809 -3.26515371 -36.77327185 1.61231986 W 0.03430417 1.66980798 1.18984988 -2.51305668 37.60407707 5.28281636