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=0.3432136654859259 stress="-3.921809919916845 -0.8967169221031177 -0.49703065141811525 -0.8967169221031177 -3.6794078271936534 0.8079737861645134 -0.49703065141811525 0.8079737861645134 -2.3466319655681462" free_energy=0.3432136654859259 pbc="T T F" Ni 0.06504129 -0.29134056 0.22277084 5.27449882 21.29484342 -16.12909837 Ni 1.68584377 1.68362810 0.19581920 -16.48351684 -5.28398687 -30.65019780 Ni 1.64685009 0.42259636 1.67626233 -6.79751777 -8.87728735 17.13442847 Ni -0.14597521 1.70996341 1.49207130 18.00653580 -7.13356920 29.64486770