1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 99.614 0.000 0.000 -99.614 :1S 001: 1S -513.045233626 Ry :2S 001: 2S -58.977479644 Ry :2PP001: 2P* -50.679034462 Ry :2P 001: 2P -49.761664465 Ry :3S 001: 3S -5.639029498 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 175.424 0.000 0.000 175.424 :1S 002: 1S -130.050222907 Ry :2S 002: 2S -9.057994499 Ry :2PP002: 2P* -5.859053990 Ry :2P 002: 2P -5.811564351 Ry