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=-5.917859118033912 stress="-0.23825744445879182 -0.007164596544960023 0.059527308053069744 -0.007164596544960023 -0.257221838292805 -0.16893225536580872 0.059527308053069744 -0.16893225536580872 -0.3511533287117981" free_energy=-5.917859118033912 pbc="F F T" N 0.15710459 0.24122900 0.02201293 -3.55544826 -3.07263359 -0.79890142 N 1.31634348 1.42534241 2.98566276 2.53420485 2.72026289 1.34931197 N 1.31443107 0.04376171 1.22051529 3.08356745 -2.65005853 -2.80986282 N 0.19273990 1.30722932 1.26172667 -2.06232404 3.00242923 2.25945227