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=10.066796968341961 stress="-38.77622638138519 1.7526645073646394 -3.546860062248152 1.7526645073646394 -63.689722858377095 -29.211664183932022 -3.546860062248152 -29.211664183932022 -66.0416874821274" pbc="F F F" Ni 0.12968218 0.21980528 0.29977655 -14.17680017 -42.49196433 -45.57503602 Ni 1.68543805 1.45460942 0.07327937 8.89264595 13.00867259 -12.75493684 Ni 1.69989723 0.12961200 1.37425859 16.07319646 -14.78091663 14.12145819 Ni 0.15720406 1.26564846 1.38507600 -10.78904224 44.26420837 44.20851466