1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 104.028 0.000 0.000 -104.028 :1S 001: 1S -513.047210709 Ry :2S 001: 2S -58.979778363 Ry :2PP001: 2P* -50.681302619 Ry :2P 001: 2P -49.763935124 Ry :3S 001: 3S -5.640867853 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 178.290 0.000 0.000 178.290 :1S 002: 1S -130.049758087 Ry :2S 002: 2S -9.057524083 Ry :2PP002: 2P* -5.858583736 Ry :2P 002: 2P -5.811094104 Ry