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=-5.38128358083 stress="-1.362582968175575 0.16188247523369093 0.4359259748301395 0.16188247523369093 -1.3698711955098797 0.21668580535166473 0.4359259748301395 0.21668580535166473 -1.487574053253309" pbc="F F F" Ni 0.27500470 -0.13833825 -0.09601473 -1.05592459 -1.62193643 -0.92464080 Ni 1.28802619 1.72277084 0.18584377 3.50201467 2.31654511 -4.28047872 Ni 1.68362810 0.19581920 1.64685009 1.90636423 -2.18790858 1.67093361 Ni 0.26959405 1.67626233 1.35402479 -4.35245431 1.49329990 3.53418591