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=-1.2819739326689157 stress="-49.268607442618176 -0.05403544325485221 2.9150581811071348 -0.05403544325485221 -47.76571954467986 -9.16244719201886 2.9150581811071348 -9.16244719201886 -45.63937908786845" pbc="F F F" Fe -0.14459490 0.11115480 0.11044915 -16.45646106 -20.31265868 -19.07064942 Fe 1.58639575 1.27038270 0.04092907 20.52932122 8.89666155 -14.23214836 Fe 1.28829595 -0.09986095 1.64041416 11.12719374 -13.21034041 13.10808648 Fe 0.00089865 1.51878885 1.32834452 -15.20005390 24.62633754 20.19471130