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:Z:I:1:forces:R:3 energy=3.86989180107 pbc="F T T" Ni 0.20384388 0.16593146 0.35922490 28 -13.82436484 -10.43771471 -12.56000389 Ni 1.63350600 1.44208907 0.39719473 28 18.07835378 9.43908392 -17.16246354 Ni 1.53480345 0.03310309 1.31305510 28 15.59157472 -7.54919262 14.35232902 Ni -0.11475229 1.19487127 1.49928290 28 -19.84556366 8.54782341 15.37013840