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=-0.9489315211348937 stress="-23.084878611699594 -2.3101150290451984 -12.68432007074474 -2.3101150290451984 -9.227725423810504 2.7666902812703045 -12.68432007074474 2.7666902812703045 -17.86516265367111" pbc="F F F" Ni 0.02015752 0.06514582 0.27711528 -17.74470268 -3.40970137 -11.61996469 Ni 1.37871118 1.25213077 -0.26874888 2.74583589 4.74523146 -3.99583282 Ni 1.21824351 0.13616082 1.26429260 16.27080339 -3.66562997 15.06810683 Ni 0.12968218 1.71980528 1.75438597 -1.27193661 2.33009988 0.54769068