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=14.972264858109687 stress="-2.0640002735059877 0.1260256551731436 0.018468990728509316 0.1260256551731436 -1.9147491176714917 -0.020593066627603577 0.018468990728509316 -0.020593066627603577 -1.779153146096434" free_energy=14.972264858109687 pbc="T F F" Ni -0.14801295 0.06329927 0.09073906 11.77257136 -23.24184461 -16.99420733 Ni 1.77219963 1.43381326 0.13132919 -14.02591318 20.00575445 -15.79472553 Ni 1.75978669 0.18365717 1.70288723 -11.72692601 -18.24443328 16.37412485 Ni 0.08343331 1.29585403 1.44809454 13.98026784 21.48052345 16.41480801