1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 102.971 0.000 0.000 -102.971 :1S 001: 1S -513.047572487 Ry :2S 001: 2S -58.980094230 Ry :2PP001: 2P* -50.681625542 Ry :2P 001: 2P -49.764257397 Ry :3S 001: 3S -5.641066920 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 178.165 0.000 0.000 178.165 :1S 002: 1S -130.049680355 Ry :2S 002: 2S -9.057457572 Ry :2PP002: 2P* -5.858516507 Ry :2P 002: 2P -5.811026936 Ry