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=10.334356636483466 stress="-1.3627729715485442 0.40236758999656985 -0.32906975614068096 0.40236758999656985 -1.794849196648013 -0.5884284118628751 -0.32906975614068096 -0.5884284118628751 -1.685509486907499" free_energy=10.334356636483466 pbc="F T F" Ne 0.11041876 -0.03194186 0.08611608 -16.55256984 -1.93154456 -21.03361664 Ne 1.53369179 1.52598936 0.29874826 10.11000536 -11.69350194 -16.53308077 Ne 1.27290972 -0.11909813 1.36136659 18.72373502 5.34227834 28.29994517 Ne 0.05835534 1.24645637 1.48193431 -12.28117054 8.28276815 9.26675224