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=51.81207918520416 stress="-2.68065035273743 0.00794504399174905 -0.0262674709157643 0.00794504399174905 -2.7229633889781266 -0.013979011487847602 -0.0262674709157643 -0.013979011487847602 -2.7510173121023374" free_energy=51.81207918520416 pbc="T T T" K -0.14459490 0.11115480 0.11044915 1.63617558 -1.85034365 -0.28590203 K 1.70960170 1.31143450 -0.16166483 -2.37038096 1.99588899 0.41057511 K 1.28829595 0.03769167 1.64041416 -0.88225328 -1.37368627 -0.68363582 K -0.22187219 1.51878885 1.32834452 1.61645866 1.22814093 0.55896274