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=-7.003844347996171 stress="-8.710499685946871 0.9496028497565028 3.1198166970405667 0.9496028497565028 -7.215841728842373 1.1251312360053816 3.1198166970405667 1.1251312360053816 -10.503138326685473" pbc="F F F" Ni -0.00548572 -0.15873180 0.02506416 -2.10326548 -2.13753389 -0.54235071 Ni 1.31668137 1.41986395 -0.25603453 4.14665609 2.12931116 -6.24350052 Ni 1.59073906 0.27219963 1.43381326 2.40336444 -2.58051768 2.88248603 Ni 0.13132919 1.75978669 1.22592512 -4.44675505 2.58874041 3.90336520