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=-17.5172156288 stress="-7.0761674291966825 -6.074568764113605 -0.28801461386553556 -6.074568764113605 -2.15977374051153 -0.9429381469982004 -0.28801461386553556 -0.9429381469982004 2.82675215470665" pbc="F F F" U 0.01283276 0.20071341 -0.17141964 -35.31156043 -23.13736779 3.60293881 U 1.64720807 1.32157308 -0.04293576 36.10196411 21.72408636 9.33570114 N 1.77559981 -0.28678287 1.71736445 -3.11718675 5.17579105 -8.06003953 N -0.21395222 1.70384132 1.29224623 2.32678307 -3.76250962 -4.87860042