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=26.20723986865011 stress="-3.7860074028868214 -0.30614781593594054 0.43714713889463463 -0.30614781593594054 -4.114928309465995 -0.14611322740014762 0.43714713889463463 -0.14611322740014762 -4.33138225439247" pbc="F F T" Fe 0.27913633 0.18492541 -0.16821827 -54.47534992 -52.23563226 20.04353388 Ni 1.38323780 1.26192411 -0.03509031 50.26518921 53.75705286 8.80352995 Fe 1.26260376 0.12263099 1.54530481 41.67375404 -45.14969032 -22.82317002 Ni 0.12593290 1.34000708 1.39901191 -37.46359333 43.62826971 -6.02389381