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=74.89230062394626 stress="-36.20645035335545 -6.598344953599394 -21.5325487443923 -6.598344953599394 -20.16743632225156 1.3508625260231728 -21.5325487443923 1.3508625260231728 -29.943583282346914" pbc="T F T" S 0.26276343 0.00584479 0.27083720 -711.81057713 -281.59009288 -596.49356672 S 1.35509983 1.46104980 0.04255698 82.41798499 272.24891821 -282.08999690 S 1.48479349 0.26254215 1.22841654 716.04085566 -113.02662066 754.07732200 S 0.02810022 1.45521655 1.32585179 -86.64826352 122.36779532 124.50624162