1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 102.340 0.000 0.000 -102.340 :1S 001: 1S -513.056208357 Ry :2S 001: 2S -58.989755394 Ry :2PP001: 2P* -50.691187091 Ry :2P 001: 2P -49.773827152 Ry :3S 001: 3S -5.649172950 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 179.011 0.000 0.000 179.011 :1S 002: 1S -130.045852352 Ry :2S 002: 2S -9.053917159 Ry :2PP002: 2P* -5.854958991 Ry :2P 002: 2P -5.807471010 Ry