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### DATE: 2013-12-13 CONTRIBUTOR: X. W. Zhou, xzhou@sandia.gov, Don Ward, donward@sandia.gov, CITATION: Ward, Zhou, Wong, and Doty, J. Mol. Model., 19, 5469 (2013)
3
48 1.12411800e+02 Cd
52 1.27603000e+02 Te
30 6.54094000e+01 Zn
2000 3 2000
1.00e-05 1.00e-05 1.00e-05 1.00e-05 1.00e-05 1.00e-03 1.00e-05
4.20000000e-01
4.60686339e-01
4.20000000e-01
4.33300000e+00
5.61129753e-01 0.00000000e+00 1.00000000e+00 1.00000000e+00
0.00000000e+00 0.00000000e+00
4.31862814e-01 1.50000000e+01 1.00000000e+06
4.44650000e+00
1.01480916e+00 0.00000000e+00 1.00000000e+00 1.00000000e+00
0.00000000e+00 0.00000000e+00
3.31226910e-01 -2.86019034e+00 1.00000000e+06
3.90000000e+00
1.24372484e-01 0.00000000e+00 1.00000000e+00 1.00000000e+00
0.00000000e+00 0.00000000e+00
5.56695878e-01 -3.87840577e+00 1.00000000e+06
4.64941400e+00
1.19636483e+00 0.00000000e+00 1.00000000e+00 1.00000000e+00
0.00000000e+00 0.00000000e+00
5.00000000e-01 0.00000000e+00 1.00000000e+06
4.15000000e+00
3.65000000e+00 0.00000000e+00 1.00000000e+00 1.00000000e+00
0.00000000e+00 0.00000000e+00
2.60532494e-01 1.10673439e+01 1.00000000e+06
4.36910000e+00
1.17590369e+00 0.00000000e+00 1.00000000e+00 1.00000000e+00
0.00000000e+00 0.00000000e+00
5.00000000e-01 0.00000000e+00 1.00000000e+06
3.96870147e-01 8.81019506e-01 -2.77889653e-01 0.00000000e+00
9.33922444e-02 6.04405167e-01 3.02202588e-01 0.00000000e+00
-7.52688172e-02 7.16845878e-01 3.58422939e-01 0.00000000e+00
2.09523779e-01 6.00000000e-01 1.90476221e-01 0.00000000e+00
-1.43121242e-02 9.12160297e-01 1.02151828e-01 0.00000000e+00
6.09822581e-02 7.27514192e-01 2.11503550e-01 0.00000000e+00
2.29518799e-01 6.29992484e-01 1.40488717e-01 0.00000000e+00
-2.03405799e-02 9.03992666e-01 1.16347914e-01 0.00000000e+00
2.30602716e-01 7.11205668e-01 5.81916164e-02 0.00000000e+00
1.17181699e-01 8.34811600e-01 4.80067013e-02 0.00000000e+00
-8.89630885e-02 8.67482946e-01 2.21480142e-01 0.00000000e+00
2.09523810e-01 6.00000000e-01 1.90476190e-01 0.00000000e+00
1.19970103e-01 6.00000000e-01 2.80029897e-01 0.00000000e+00
-9.33319001e-02 9.15539790e-01 1.77792110e-01 0.00000000e+00
-9.00122336e-02 8.79023459e-01 2.10988775e-01 0.00000000e+00
2.09523810e-01 6.00000000e-01 1.90476190e-01 0.00000000e+00
1.97205765e-03 9.99999995e-01 -1.97205245e-03 0.00000000e+00
4.76190476e-01 1.00000000e+00 -4.76190476e-01 0.00000000e+00
3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05
3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05
3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05
3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05
3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05
3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05
3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05
3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05
3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05
3.72364727e+05 3.72364727e+05 3.50443248e+05 3.27171549e+05 3.05878085e+05
2.86359326e+05 2.68436179e+05 2.51950654e+05 2.36763029e+05 2.22749452e+05
2.09799879e+05 1.97816327e+05 1.86711366e+05 1.76406821e+05 1.66832657e+05
1.57926012e+05 1.49630358e+05 1.41894772e+05 1.34673305e+05 1.27924423e+05
1.21610524e+05 1.15697516e+05 1.10154436e+05 1.04953128e+05 1.00067949e+05
9.54755133e+04 9.11544657e+04 8.70852786e+04 8.32500744e+04 7.96324652e+04
7.62174109e+04 7.29910926e+04 6.99407988e+04 6.70548240e+04 6.43223771e+04
6.17335002e+04 5.92789945e+04 5.69503540e+04 5.47397060e+04 5.26397567e+04
5.06437427e+04 4.87453867e+04 4.69388574e+04 4.52187330e+04 4.35799686e+04
4.20178661e+04 4.05280463e+04 3.91064249e+04 3.77491891e+04 3.64527770e+04
3.52138589e+04 3.40293197e+04 3.28962432e+04 3.18118973e+04 3.07737207e+04
2.97793109e+04 2.88264126e+04 2.79129075e+04 2.70368046e+04 2.61962316e+04
2.53894266e+04 2.46147308e+04 2.38705814e+04 2.31555053e+04 2.24681130e+04
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1.64058219e+04 1.59663506e+04 1.55420985e+04 1.51324202e+04 1.47367029e+04
1.43543638e+04 1.39848492e+04 1.36276324e+04 1.32822119e+04 1.29481108e+04
1.26248747e+04 1.23120708e+04 1.20092866e+04 1.17161291e+04 1.14322232e+04
1.11572112e+04 1.08907518e+04 1.06325191e+04 1.03822019e+04 1.01395028e+04
9.90413775e+03 9.67583515e+03 9.45433528e+03 9.23938972e+03 9.03076076e+03
8.82822087e+03 8.63155224e+03 8.44054622e+03 8.25500298e+03 8.07473097e+03
7.89954661e+03 7.72927388e+03 7.56374394e+03 7.40279483e+03 7.24627111e+03
7.09402360e+03 6.94590905e+03 6.80178987e+03 6.66153392e+03 6.52501420e+03
6.39210865e+03 6.26269995e+03 6.13667525e+03 6.01392603e+03 5.89434788e+03
5.77784032e+03 5.66430664e+03 5.55365373e+03 5.44579194e+03 5.34063490e+03
5.23809942e+03 5.13810533e+03 5.04057535e+03 4.94543501e+03 4.85261246e+03
4.76203844e+03 4.67364613e+03 4.58737105e+03 4.50315098e+03 4.42092586e+03
4.34063773e+03 4.26223059e+03 4.18565037e+03 4.11084484e+03 4.03776355e+03
3.96635771e+03 3.89658021e+03 3.82838547e+03 3.76172944e+03 3.69656952e+03
3.63286450e+03 3.57057451e+03 3.50966098e+03 3.45008659e+03 3.39181521e+03
3.33481187e+03 3.27904269e+03 3.22447489e+03 3.17107670e+03 3.11881736e+03
3.06766706e+03 3.01759691e+03 2.96857892e+03 2.92058595e+03 2.87359170e+03
2.82757066e+03 2.78249808e+03 2.73834998e+03 2.69510309e+03 2.65273483e+03
2.61122328e+03 2.57054719e+03 2.53068591e+03 2.49161941e+03 2.45332824e+03
2.41579352e+03 2.37899690e+03 2.34292056e+03 2.30754720e+03 2.27286001e+03
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1.93222639e+03 1.90462058e+03 1.87752057e+03 1.85091497e+03 1.82479273e+03
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1.06522338e+03 1.05234241e+03 1.03965955e+03 1.02717106e+03 1.01487328e+03
1.00276265e+03 9.90835667e+02 9.79088917e+02 9.67519059e+02 9.56122826e+02
9.44897022e+02 9.33838520e+02 9.22944261e+02 9.12211255e+02 9.01636573e+02
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6.06101249e+02 5.99795010e+02 5.93571184e+02 5.87428451e+02 5.81365518e+02
5.75381114e+02 5.69473994e+02 5.63642935e+02 5.57886738e+02 5.52204226e+02
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