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=3.1070853555802165 stress="-1.9024996488965944 -0.19392647901019694 0.2307351108416637 -0.19392647901019694 -2.0175224024728458 -0.4597756121173063 0.2307351108416637 -0.4597756121173063 -2.3016468805489456" free_energy=3.1070853555802165 pbc="F T F" Ni 0.08611608 0.03369179 0.02598936 -18.59292634 -6.63451813 -16.23156694 Ni 1.22329650 1.46375436 0.29874826 26.36865451 -3.08419042 -35.53813565 Ni 1.27290972 2.80092052 1.36136659 17.42673487 7.42090680 29.32811351 Ni 0.05835534 1.24645637 1.48193431 -25.20246304 2.29780176 22.44158908