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As-O Single Scatering
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1 1.891812E-01 1 1 0 ihole, gamach, iprint, iafolp, intclc
0 0.000000E+00 0.000000E+00 0.000000E+00 ixc, vr0, vi0, rs0
0 100 0.000000E+00 1.058354E+01 ixanes, nemax, xkmin, xkmax (inv bohr)
0 0 0 0 methat, methfs, jumprm, mbconv
1 nfr
0 33 0.000 ifr, iz, ion
1 8 0.000 ifr, iz, ion
5 nat. iat, iph, x, y, z
1 0 0.000000 0.000000 0.000000
2 1 2.182068 2.182068 2.182068
3 1 -2.182068 -2.182068 2.182068
4 1 -2.182068 2.182068 -2.182068
5 1 2.182068 -2.182068 -2.182068
1 nph
0 1 0 1.000000 1.000000 0 iph, iat, ifr, xnat, folp, novr
'As ' potlbl
1 2 1 4.000000 1.000000 0 iph, iat, ifr, xnat, folp, novr
'O ' potlbl
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