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|
AtomSpecies 6.000000
total.electron 6.000000
valence.electron 4.000000
grid.num.output 500
j.dependent.pseudo.potentials on
charge.pcc.calc on
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2.24173947895792e+00 9.40968500891563e+00 1.74827312132523e-12
2.26237875751503e+00 9.60591214654239e+00 1.33383635436828e-12
2.28301803607214e+00 9.80623135414860e+00 1.01309919270183e-12
2.30365731462926e+00 1.00107279667033e+01 7.66011929700515e-13
2.32429659318637e+00 1.02194890987290e+01 5.76545341962356e-13
2.34493587174349e+00 1.04326036814118e+01 4.31881523044870e-13
2.36557515030060e+00 1.06501625004857e+01 3.21857792569802e-13
2.38621442885771e+00 1.08722582349072e+01 2.38617252300534e-13
2.40685370741483e+00 1.10989854963356e+01 1.75977488799957e-13
2.42749298597194e+00 1.13304408694371e+01 1.29095894832354e-13
2.44813226452906e+00 1.15667229530300e+01 9.42006130735897e-14
2.46877154308617e+00 1.18079324020864e+01 6.83706970111877e-14
2.48941082164329e+00 1.20541719706114e+01 4.93574665068852e-14
2.51005010020040e+00 1.23055465554155e+01 3.54401749702057e-14
2.53068937875751e+00 1.25621632408002e+01 2.53096864088746e-14
2.55132865731463e+00 1.28241313441752e+01 1.79665373638686e-14
2.57196793587174e+00 1.30915624626274e+01 1.26733265861431e-14
2.59260721442886e+00 1.33645705204603e+01 8.88297634838537e-15
2.61324649298597e+00 1.36432718177254e+01 6.18679734540283e-15
2.63388577154309e+00 1.39277850797654e+01 4.28168879818091e-15
2.65452505010020e+00 1.42182315077907e+01 2.94450394567012e-15
2.67516432865731e+00 1.45147348305103e+01 2.01217364234299e-15
2.69580360721443e+00 1.48174213568397e+01 1.36642015625710e-15
2.71644288577154e+00 1.51264200297079e+01 9.22096821456353e-16
2.73708216432866e+00 1.54418624809862e+01 6.18181274123254e-16
2.75772144288577e+00 1.57638830875632e+01 4.11227647456214e-16
2.77836072144289e+00 1.60926190285883e+01 2.71414874438230e-16
2.79900000000000e+00 1.64282103439092e+01 1.77740258029199e-16
density.PCC>
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