1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 99.585 0.000 0.000 -99.585 :1S 001: 1S -513.045234264 Ry :2S 001: 2S -58.977480070 Ry :2PP001: 2P* -50.679034915 Ry :2P 001: 2P -49.761664916 Ry :3S 001: 3S -5.639029799 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 175.442 0.000 0.000 175.442 :1S 002: 1S -130.050223180 Ry :2S 002: 2S -9.057993936 Ry :2PP002: 2P* -5.859053496 Ry :2P 002: 2P -5.811563855 Ry