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=37.819788626277685 stress="-2.8892098279854177 0.7397448625889721 -0.49048413908847277 0.7397448625889721 -5.053775984656692 0.44448976893446146 -0.49048413908847277 0.44448976893446146 -6.257845459533906" pbc="F T T" Fe 0.27354104 0.03273964 0.02240989 -36.60905781 -2.05356191 11.22608208 Fe 1.38803420 1.79497883 -0.20400199 34.86670337 -28.95240424 27.04268272 P 1.31113270 -0.26666017 1.46247704 38.35441542 11.51718847 -15.90319931 P 0.29119256 1.05532415 1.66188986 -36.61206099 19.48877767 -22.36556549