1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 91.945 0.000 0.000 -91.945 :1S 001: 1S -513.043664846 Ry :2S 001: 2S -58.975732461 Ry :2PP001: 2P* -50.677299299 Ry :2P 001: 2P -49.759928454 Ry :3S 001: 3S -5.637821322 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 169.636 0.000 0.000 169.636 :1S 002: 1S -130.050143932 Ry :2S 002: 2S -9.057982215 Ry :2PP002: 2P* -5.859037746 Ry :2P 002: 2P -5.811548403 Ry