1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 101.842 0.000 0.000 -101.842 :1S 001: 1S -513.047476622 Ry :2S 001: 2S -58.979989977 Ry :2PP001: 2P* -50.681520962 Ry :2P 001: 2P -49.764152875 Ry :3S 001: 3S -5.641033874 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 178.035 0.000 0.000 178.035 :1S 002: 1S -130.049546160 Ry :2S 002: 2S -9.057345837 Ry :2PP002: 2P* -5.858403522 Ry :2P 002: 2P -5.810914058 Ry