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=-1.9887824029049306 stress="-0.5447936758287809 -0.013940390455825413 0.09403548916419793 -0.013940390455825413 -0.5694665568239896 0.08641257674643625 0.09403548916419793 0.08641257674643625 -0.620116527136029" free_energy=-1.9887824029049306 pbc="F F T" Ni 0.29874826 0.05835534 2.60144530 -5.37557860 -6.39555939 1.62371187 Ni 1.48193431 1.42001865 0.20070203 6.33856540 6.05161366 -2.14435106 Ni 1.20342959 0.28187239 1.51001192 6.37178330 -6.09589522 0.09149104 Ni 0.10170120 1.37793365 1.21904386 -7.33477010 6.43984095 0.42914815