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=19.13054195894585 stress="-4.946213874315141 -0.11556103458631706 0.40633872012875183 -0.11556103458631706 -4.961961864065568 -0.05064257713723735 0.40633872012875183 -0.05064257713723735 -3.845311532615604" pbc="T T F" W -0.04368752 0.24843919 0.14432661 -6.98640419 -12.63860506 -38.05708349 W 1.26023492 1.60281613 0.25911890 15.88825319 12.19045702 -37.19718908 W 1.69019325 0.19877714 1.60881314 -4.45883975 -12.20788080 36.35723701 W 0.13250256 1.60031152 1.55442580 -4.44300925 12.65602883 38.89703556