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=6.945797912489956 stress="0.2878740621543492 -0.5289586140991732 0.10645688740335822 -0.5289586140991732 -0.5819414135258827 -0.5049303943983438 0.10645688740335822 -0.5049303943983438 -0.020238129199895538" free_energy=6.945797912489956 pbc="F F T" N 0.04376171 0.19273990 2.52044645 -6.41130846 -0.63286052 -12.99276143 N 1.26172667 1.55332204 2.88436473 -2.86002165 27.00085327 -8.11775399 N 1.73110688 0.01283276 1.70071341 -3.31351946 -10.02370638 3.04880438 N 0.14720807 1.58942344 1.67442869 12.58484957 -16.34428637 18.06171104