1.ATOM U 1 21 CORE STATES :1S 001: 1S -8512.646116537 Ry :2S 001: 2S -1588.833066100 Ry :2PP001: 2P* -1531.564956252 Ry :2P 001: 2P -1250.076597829 Ry :3S 001: 3S -400.221946597 Ry :3PP001: 3P* -374.293136506 Ry :3P 001: 3P -309.431784722 Ry :3DD001: 3D* -268.564520200 Ry :3D 001: 3D -255.414560056 Ry :4S 001: 4S -101.151491490 Ry :4PP001: 4P* -89.488018607 Ry :4P 001: 4P -72.578485515 Ry :4DD001: 4D* -54.060243881 Ry :4D 001: 4D -50.952521112 Ry :5S 001: 5S -21.596225825 Ry :5PP001: 5P* -17.076819947 Ry :5P 001: 5P -13.075821481 Ry :4FF001: 4F* -26.624303533 Ry :4F 001: 4F -25.814743964 Ry :5DD001: 5D* -6.472256850 Ry :5D 001: 5D -5.877126407 Ry 2.ATOM Ru1 9 CORE STATES :1S 002: 1S -1610.378996566 Ry :2S 002: 2S -230.499333903 Ry :2PP002: 2P* -212.889825896 Ry :2P 002: 2P -203.267199150 Ry :3S 002: 3S -39.633923396 Ry :3PP002: 3P* -32.803874773 Ry :3P 002: 3P -31.171001459 Ry :3DD002: 3D* -19.086849124 Ry :3D 002: 3D -18.768687718 Ry 3.ATOM Si1 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO003: 3.ATOM 296.657 0.000 0.000 -296.657 :1S 003: 1S -129.926695646 Ry :2S 003: 2S -8.940599688 Ry :2PP003: 2P* -5.741229188 Ry :2P 003: 2P -5.693760202 Ry