conquest/pseudo-and-pao/GTH_PBE/Fe_q16/Fe.hgh

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300 B
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2 4
Fe 16.00 0.360000 6.756789 -0.228833 0.000000 0.000000
2
0.278263 0.629506 7.913132
-10.215810
2
0.251383 -7.932133 7.697079
-9.107307
1
0.222856 -12.385799
4
3 0 2.0 1
3 1 6.0 1
3 2 6.0 0
4 0 2.0 0