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=1028.3587749708129 stress="-548.3613500772353 2.9995996875210045 7.727427269910617 2.9995996875210045 -276.94711258256694 -8.498661139478456 7.727427269910617 -8.498661139478456 -573.0811777942174" pbc="T F T" C 0.03848316 0.19178619 0.17895518 460.40392293 -647.12121565 -360.84681837 C 1.04140871 0.86455359 0.03253581 -298.88197759 864.98670630 -119.62097859 C 0.89904689 0.10609294 0.71603997 -542.01499912 -935.59742388 157.50668068 C -0.19401975 0.57157598 0.76361598 380.49305378 717.73193322 322.96111628