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=5.092564300858303 stress="-1.1620895914388885 0.18279866139102646 -0.219555156311974 0.18279866139102646 -0.6524917521616787 0.059010707716305975 -0.219555156311974 0.059010707716305975 -0.8003679911629943" free_energy=5.092564300858303 pbc="F F T" N 0.03926819 0.23010044 0.09566688 -10.06394770 -3.71195970 2.10536503 N 1.62528982 1.62033173 0.17828948 7.03389361 5.27215926 4.74156525 N 1.71182891 0.07255377 1.46717970 11.94730860 -7.84994533 -1.04453329 N 0.01258782 1.66911338 1.30454100 -8.91725450 6.28974577 -5.80239699