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update bop potential files to the latest versions

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Axel Kohlmeyer 2020-01-15 16:50:10 -05:00
parent 4801f013a5
commit df24475ea1
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6 changed files with 7202 additions and 5 deletions
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5
potentials/AlCu.bop.table
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@ -1,4 +1,4 @@
# DATE: 2015-07-06 CONTRIBUTOR: X. W. Zhou, xzhou@sandia.gov, Don Ward, donward@sandia.gov, CITATION: Zhou, Ward, and Foster, J. Alloys Compd., 680, 752 (2016).
# DATE: 2015-07-06 CONTRIBUTOR: X. W. Zhou, xzhou@sandia.gov, Don Ward, donward@sandia.gov, CITATION: Zhou, Ward, and Foster, Phys. Chem. Chem. Phys., under consideration
2
13 2.69800000e+01 Al
29 6.35500000e+01 Cu
@ -4835,7 +4835,7 @@
0.00000000e+00
0.00000000e+00
0.00000000e+00
0.00000000e+00
4.90000000e+00
0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00
@ -6037,4 +6037,3 @@
0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00

1
potentials/CCu_v2.bop.table
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@ -6037,4 +6037,3 @@
5.61195316e-04 4.82772013e-04 4.10350018e-04 3.43916611e-04 2.83454197e-04
2.28940363e-04 1.80347935e-04 1.37645042e-04 1.00795180e-04 6.97572829e-05
4.44857950e-05 2.49307460e-05 1.10378308e-05 2.74849099e-06 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00

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potentials/CdTeSe.bop.table
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potentials/CdZnTe_v1.bop.table
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potentials/CdZnTe_v2.bop.table
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1
potentials/CuH.bop.table
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@ -6037,4 +6037,3 @@
0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00