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=1.4683376146727785 stress="-0.4424015132494862 0.18298358889818753 0.12082388500057055 0.18298358889818753 -0.5436902375119049 0.21550022007430056 0.12082388500057055 0.21550022007430056 -0.5416877420760039" pbc="F T T" O 0.23171545 0.18190327 -0.17816502 -4.04956880 -1.65694799 4.38361008 O 1.71219253 1.34046443 0.26652280 2.51900563 0.32561554 -1.68343161 O 1.28220450 0.28278197 1.56210000 7.28348804 -4.60747692 -0.90095484 O 0.13362859 1.32702941 1.57034430 -5.75292486 5.93880938 -1.79922363