From 21f454c040d11fec1d8f27cbda10efc763a4db2d Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 20 Dec 2019 03:48:08 -0500 Subject: [PATCH] correct truncated AlCu.bop.table potential file from Xiaoweng Zhou --- potentials/AlCu.bop.table | 361 +++++++++++++++++++++++++++++++++++++- 1 file changed, 358 insertions(+), 3 deletions(-) diff --git a/potentials/AlCu.bop.table b/potentials/AlCu.bop.table index cc74dbb62a..8e19658c62 100644 --- a/potentials/AlCu.bop.table +++ b/potentials/AlCu.bop.table @@ -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, Phys. Chem. Chem. Phys., under consideration +# 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). 2 13 2.69800000e+01 Al 29 6.35500000e+01 Cu @@ -4835,7 +4835,7 @@ 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 0.00000000e+00 @@ -5681,4 +5681,359 @@ 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 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 0.00000000e+00 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