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=22.50095868796071 stress="-2.2679499702046297 -0.12549800554069995 0.8177415279180964 -0.12549800554069995 -3.6278302483300306 -0.31365932691524373 0.8177415279180964 -0.31365932691524373 -4.199285741199075" pbc="F T T" Ni 0.27711528 -0.12128882 -0.24786923 -36.73834013 -6.59769861 30.54535317 Ni 1.23125112 1.21824351 0.20944019 23.61281039 17.52013522 -0.27084304 Ni 1.26429260 0.32957941 1.71980528 39.82036284 -13.56185471 -21.91206804 Ni 0.29977655 1.68543805 1.58422142 -26.69483310 2.63941809 -8.36244209