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=-16.583721250312625 stress="-0.15317960100996622 0.2685857413442129 0.2129129012320006 0.2685857413442129 0.04893944521773363 0.35132002366130594 0.2129129012320006 0.35132002366130594 0.06055038334271206" free_energy=-16.583721250312625 pbc="F F T" C 0.29874826 0.05835534 2.74645637 2.48200775 6.99620750 3.48574411 C 1.48193431 1.42001865 0.20152805 0.98913440 -0.62842938 -8.04796829 C 1.20342959 0.28187239 1.51001192 3.66607218 -7.24149847 4.14870086 C 0.34794218 1.37793365 1.21904386 -7.13721432 0.87372036 0.41352332