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=16.77806307813681 stress="-36.47998070895047 8.57360307719161 1.2346581474600775 8.57360307719161 -30.87122147229276 1.1421791892036026 1.2346581474600775 1.1421791892036026 -29.67274007724295" pbc="F F F" Na 0.23171545 0.18190327 -0.17816502 -8.03504432 -7.43312815 -10.08446598 Na 1.71219253 1.42485375 0.12990665 10.50761338 9.93304216 -8.42357880 Na 1.28220450 0.28278197 1.56210000 18.00592647 -20.48140899 11.36333533 Na 0.13362859 1.32702941 1.57034430 -20.47849553 17.98149497 7.14470945