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=16.218268137317136 stress="-2.33693813469257 -0.7233007071180039 -0.19046780433396399 -0.7233007071180039 -2.53195992542425 0.6703222535279714 -0.19046780433396399 0.6703222535279714 -2.287708067389264" free_energy=16.218268137317136 pbc="T T F" Ni -0.13449789 -0.21197381 0.22277084 20.00781850 27.01514516 -23.27412824 Ni 1.68584377 1.68362810 0.19581920 -25.50878903 -13.83258123 -22.56718267 Ni 1.64685009 0.42259636 1.67626233 -13.72084816 -9.44061732 16.14355683 Ni -0.14597521 1.70996341 1.49207130 19.22181868 -3.74194660 29.69775408