1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 102.673 0.000 0.000 -102.673 :1S 001: 1S -513.046493336 Ry :2S 001: 2S -58.978890887 Ry :2PP001: 2P* -50.680432701 Ry :2P 001: 2P -49.763063732 Ry :3S 001: 3S -5.640129527 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 177.227 0.000 0.000 177.227 :1S 002: 1S -130.049932015 Ry :2S 002: 2S -9.057705699 Ry :2PP002: 2P* -5.858764999 Ry :2P 002: 2P -5.811275392 Ry