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=-12.296500699401031 stress="-1.0609942788874664 -0.09967194057547404 -0.09265618142733206 -0.09967194057547404 -1.0709646822941135 0.09296972250227631 -0.09265618142733206 0.09296972250227631 -0.807148449099595" free_energy=-12.296500699401031 pbc="T T F" Ni 0.20259391 0.06504129 0.22277084 2.17317816 2.59019918 -6.26736774 Ni 1.68584377 1.68362810 0.19581920 -4.65203328 -0.85105061 -9.66857210 Ni 1.64685009 0.26959405 1.67626233 -4.18084922 -1.76782564 7.08464759 Ni -0.14597521 1.66771000 1.49207130 6.65970434 0.02867707 8.85129225