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=50.50487984004938 stress="-4.390871769131613 0.06050264261853269 -0.3059137231832912 0.06050264261853269 -4.125026546799552 -0.2506625243634169 -0.3059137231832912 -0.2506625243634169 -3.03867633514418" free_energy=50.50487984004938 pbc="T T F" Li 0.17052461 2.71550698 0.16333169 -1.71992787 10.52117198 -28.29117174 Li 1.70242272 1.56139068 0.22370094 -3.00809960 -17.91258313 -31.76704360 Li 1.51666064 2.77424422 1.39006667 -2.53205291 10.73950998 31.78319602 Li 2.86150648 1.29185975 1.75386859 7.26008038 -3.34809883 28.27501932