1.ATOM      Ba                   14 CORE STATES
:1S 001: 1S               -2735.324868556 Ry
:2S 001: 2S                -431.307640701 Ry
:2PP001: 2P*               -406.200273020 Ry
:2P 001: 2P                -378.142352450 Ry
:3S 001: 3S                 -90.232056939 Ry
:3PP001: 3P*                -79.699202226 Ry
:3P 001: 3P                 -74.275774291 Ry
:3DD001: 3D*                -55.806374998 Ry
:3D 001: 3D                 -54.650368095 Ry
:4S 001: 4S                 -16.877282762 Ry
:4PP001: 4P*                -13.049183190 Ry
:4P 001: 4P                 -11.919019773 Ry
:4DD001: 4D*                 -5.669253786 Ry
:4D 001: 4D                  -5.477184042 Ry

        2.ATOM      Fe                    5 CORE STATES
:1S 002: 1S                -513.247633166 Ry
:2S 002: 2S                 -59.169007463 Ry
:2PP002: 2P*                -50.871524351 Ry
:2P 002: 2P                 -49.954075378 Ry
:3S 002: 3S                  -5.840032851 Ry

        3.ATOM      As                    7 CORE STATES
       CORE-FORCE in mRy/a.u. = |F|      Fx             Fy             Fz
:FCO003:   3.ATOM        411.739          0.000          0.000       -411.739

:1S 003: 1S                -860.109739233 Ry
:2S 003: 2S                -108.241990063 Ry
:2PP003: 2P*                -96.598618357 Ry
:2P 003: 2P                 -93.911323716 Ry
:3S 003: 3S                 -12.997303011 Ry
:3PP003: 3P*                 -9.086246388 Ry
:3P 003: 3P                  -8.717164354 Ry