1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 103.792 0.000 0.000 -103.792 :1S 001: 1S -513.047009008 Ry :2S 001: 2S -58.979525087 Ry :2PP001: 2P* -50.681054864 Ry :2P 001: 2P -49.763686901 Ry :3S 001: 3S -5.640650650 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 -130.049812708 Ry :2S 002: 2S -9.057585855 Ry :2PP002: 2P* -5.858645055 Ry :2P 002: 2P -5.811155453 Ry