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=-5.75815227774224 stress="-5.928685158475528 2.064554000636024 -0.7051814646945873 2.064554000636024 -6.14285952988764 -0.6707323034402712 -0.7051814646945873 -0.6707323034402712 -5.976902925666849" pbc="F F F" Ni -0.17842402 0.01361598 -0.14801295 -1.42244755 -1.50162434 -2.69620548 Ni 1.47567541 1.56329927 -0.06254558 0.86310705 1.29083754 -1.28154491 Ni 1.27846858 -0.00548572 1.34126820 3.12438106 -2.92534977 1.91091417 Ni -0.15859300 1.31668137 1.41986395 -2.56504056 3.13613657 2.06683622