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=-15.476123412909631 stress="1.683337701209028 0.017363377028862845 0.0511765892437062 0.017363377028862845 2.0105608770987544 0.004835724980821718 0.0511765892437062 0.004835724980821718 1.8590363893011008" free_energy=-15.476123412909631 pbc="T T T" C 2.73219915 0.11115480 0.11044915 -3.85254082 6.12630442 1.67453496 C 1.70960170 1.31143450 2.83833517 10.05235691 -5.49933044 -2.31380996 C 1.28829595 2.83509776 1.64041416 -1.45819784 -1.35600435 1.90646976 C 2.77812781 1.51878885 1.32834452 -4.74161825 0.72903037 -1.26719476