1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 103.788 0.000 0.000 -103.788 :1S 001: 1S -513.047005017 Ry :2S 001: 2S -58.979522190 Ry :2PP001: 2P* -50.681051788 Ry :2P 001: 2P -49.763683841 Ry :3S 001: 3S -5.640649622 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 178.185 0.000 0.000 178.185 :1S 002: 1S -130.049810718 Ry :2S 002: 2S -9.057584652 Ry :2PP002: 2P* -5.858643789 Ry :2P 002: 2P -5.811154190 Ry