1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 83.462 0.000 0.000 -83.462 :1S 001: 1S -513.042396966 Ry :2S 001: 2S -58.974437218 Ry :2PP001: 2P* -50.675994132 Ry :2P 001: 2P -49.758624444 Ry :3S 001: 3S -5.637278945 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 159.171 0.000 0.000 159.171 :1S 002: 1S -130.049196933 Ry :2S 002: 2S -9.057231795 Ry :2PP002: 2P* -5.858275007 Ry :2P 002: 2P -5.810786571 Ry