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=-6.1454797106159 stress="0.292581386663173 0.061295656729189164 0.05337292361096213 0.061295656729189164 0.026259944869797703 0.07547877402971676 0.05337292361096213 0.07547877402971676 0.1571476214792541" pbc="T F F" N 0.22083292 0.18107110 0.13102478 2.08695684 0.93484628 2.89919370 N 1.59995250 1.76120756 0.01193751 -0.97324202 0.67047684 0.39892025 N 1.53456444 0.04396501 1.57236142 -0.95448689 -0.43183950 -1.45667531 N 0.22410373 1.73854596 1.26922180 -0.15922793 -1.17348362 -1.84143864