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=-7.003843918618553 stress="-8.71034995747591 0.9496564804790619 3.120075013578898 0.9496564804790619 -7.215507852603834 1.1249751622756254 3.120075013578898 1.1249751622756254 -10.503115508066728" pbc="F F F" Ni -0.00548572 -0.15873180 0.02506416 -2.10314198 -2.13742101 -0.54231344 Ni 1.31668137 1.41986395 -0.25603453 4.14671127 2.12913121 -6.24353566 Ni 1.59073906 0.27219963 1.43381326 2.40322861 -2.58039770 2.88234107 Ni 0.13132919 1.75978669 1.22592512 -4.44679790 2.58868750 3.90350803