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=85.9268720418487 stress="-396.3840767637687 -172.52328537738745 -18.05967104422963 -172.52328537738745 -491.68334292530335 -11.715604648251883 -18.05967104422963 -11.715604648251883 -365.1245889371163" pbc="F F F" Nh 0.24491159 0.19628345 -0.06346051 -212.34972844 -261.08789857 -151.04783904 Nh 1.59755175 1.50098800 -0.03300278 199.75488451 264.86812975 -110.24774878 Nh 1.79014520 0.05891432 1.30240714 72.85275514 -105.35657532 127.72253435 Nh 0.01899814 1.49221458 1.38915588 -60.25791121 101.57634415 133.57305346