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=1.8671465390024504 stress="-3.5641121977140378 1.3186589346997564 -2.726950736399529 1.3186589346997564 -13.839264199128877 9.483803912019177 -2.726950736399529 9.483803912019177 -13.609635907409988" pbc="F F F" Cn -0.24764317 0.22458357 0.24431644 -1.62753850 -2.33204617 -1.10301323 Cn 1.47712656 1.23851257 -0.02283288 -0.90516663 9.77186121 -9.76900600 Cn 1.79040783 0.05358175 1.22356311 2.51400571 -8.98338918 9.54825459 Cn -0.15970703 1.77625174 1.49057733 0.01869943 1.54357415 1.32376464