1.ATOM      Ba                   14 CORE STATES
:1S 001: 1S               -2735.325886487 Ry
:2S 001: 2S                -431.308684435 Ry
:2PP001: 2P*               -406.201316208 Ry
:2P 001: 2P                -378.143396257 Ry
:3S 001: 3S                 -90.233094074 Ry
:3PP001: 3P*                -79.700239379 Ry
:3P 001: 3P                 -74.276812015 Ry
:3DD001: 3D*                -55.807413967 Ry
:3D 001: 3D                 -54.651407090 Ry
:4S 001: 4S                 -16.878382796 Ry
:4PP001: 4P*                -13.050291272 Ry
:4P 001: 4P                 -11.920136042 Ry
:4DD001: 4D*                 -5.670396925 Ry
:4D 001: 4D                  -5.478330568 Ry

        2.ATOM      Fe                    5 CORE STATES
:1S 002: 1S                -513.280569640 Ry
:2S 002: 2S                 -59.205270873 Ry
:2PP002: 2P*                -50.907427654 Ry
:2P 002: 2P                 -49.990009682 Ry
:3S 002: 3S                  -5.874151924 Ry

        3.ATOM      As                    7 CORE STATES
       CORE-FORCE in mRy/a.u. = |F|      Fx             Fy             Fz
:FCO003:   3.ATOM        452.553          0.000          0.000       -452.553

:1S 003: 1S                -860.106997424 Ry
:2S 003: 2S                -108.239675133 Ry
:2PP003: 2P*                -96.596202561 Ry
:2P 003: 2P                 -93.908921196 Ry
:3S 003: 3S                 -12.996865937 Ry
:3PP003: 3P*                 -9.085837993 Ry
:3P 003: 3P                  -8.716796926 Ry