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=-7.617688233146971 stress="-0.05096516868675653 -0.06902638836573424 -0.021534969359560965 -0.06902638836573424 0.07330676852079941 0.020735955609812538 -0.021534969359560965 0.020735955609812538 -0.229424224924095" pbc="F T F" C 0.08611608 0.03369179 0.30786174 -0.18583976 -3.16554412 -3.77950568 C 1.22329650 1.46375436 0.29874826 -0.33050156 3.64486251 -1.51764532 C 1.25744311 -0.11909813 1.46306780 1.47298098 -1.91350465 2.04683394 C 0.05835534 1.24645637 1.48193431 -0.95663967 1.43418625 3.25031706