4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=1363.791441138976 stress="-556.8494307948132 -4.226654054127751 -27.87153324732478 -4.226654054127751 -620.9624198995839 -2.274104006058217 -27.87153324732478 -2.274104006058217 -595.4208621156878" free_energy=1363.791441138976 pbc="T T T" C 1.35540510 0.11115480 0.31304306 148.99760307 -25.97230793 -176.68441156 C 0.95960170 0.56143450 1.33833517 -122.16347062 -128.94224188 -6.52120768 C 0.53829595 1.04375720 0.89041416 -58.51470159 109.38403549 73.93842599 C 1.27812781 0.76878885 0.57834452 31.68056915 45.53051432 109.26719326