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=4.046877930092374 stress="-2.0379323844223602 0.4061633940657319 0.4357571787263184 0.4061633940657319 -2.0496339438998827 -0.06520302021944217 0.4357571787263184 -0.06520302021944217 -2.2759250620095814" free_energy=4.046877930092374 pbc="F F T" Ni 0.20070203 0.28187239 0.01001192 -31.22633558 -19.08102350 29.70704853 Ni 1.48453339 1.60170120 2.87793365 13.97331197 11.60100615 8.61839688 Ni 1.21904386 0.00082602 1.74624097 35.38960992 -23.63219939 -23.27145600 Ni 0.14302402 1.35498893 1.61042859 -18.13658631 31.11221673 -15.05398941