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=15.695593763790274 stress="-2.1413828057358533 -0.2887458667652931 -0.24112176133698973 -0.2887458667652931 -2.911458140118106 0.0049492062543343525 -0.24112176133698973 0.0049492062543343525 -2.1370858250645886" free_energy=15.695593763790274 pbc="F T F" W 0.05835534 2.60144530 0.20070203 -21.94136884 -0.58538421 -20.04126185 W 1.20342959 1.51128025 0.28187239 17.70679655 0.57486867 -21.83758951 W 1.51001192 2.98453339 1.60170120 25.03691260 4.73001809 22.47914679 W 0.00082602 1.74624097 1.64302402 -20.80234031 -4.71950256 19.39970458