git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13545 f3b2605a-c512-4ea7-a41b-209d697bcdaa

potentials/CCu_v1.bop.table

+### DATE: 2015-07-07 CONTRIBUTOR: TBA
     2
     6  1.20100000e+01 C
    29  6.35500000e+01 Cu

potentials/CuH.bop.table

-    2
+# DATE: 2015-07-06 CONTRIBUTOR: X. W. Zhou, xzhou@sandia.gov, Don Ward, donward@sandia.gov, CITATION: Zhou, Ward, Foster, and Zimmerman, J. Mater. Sci., 50, 2859 (2015)
+   2
    29  6.35500000e+01 Cu
-    1  2.01000000e+01 H
+    1  1.00794000e+00 H
  2000    7 2000
   1.00e-05  1.00e-05  1.00e-05  1.00e-05  1.00e-05  1.00e-02  1.00e-05
  2.89162294e-01

potentials/GaAs.bop.table

-### DATE: 2012-06-25 CONTRIBUTOR: Don Ward, donward@sandia.gov CITATION: Ward, Zhou, Wong, Doty, and Zimmerman, Phys Rev B, 85, 115206 (2012)
+# DATE: 2012-06-25 CONTRIBUTOR: X. W. Zhou, xzhou@sandia.gov, D. A. Murdick, CITATION: Murdick, Zhou, Wadley, Nguyen-Manh, Drautz, and Pettifor, Phys. Rev. B, 73, 045206 (2006)
    2
    31  0.69723000E+02 Ga
    33  0.74921593E+02 As

potentials/Si.tersoff.mod

-# DATE: 2013-07-26 CONTRIBUTOR: Unknown CITATION: Kumagai, Izumi, Hara and Sakai, Comp Mat Sci, 39, 457 (2007)
-
-# Modified Tersoff potential (named MOD potential) parameters for various elements and mixtures
-# multiple entries can be added to this file, LAMMPS reads the ones it needs
-# these entries are in LAMMPS "metal" units:
-#   A,B = eV; lambda1,lambda2 = 1/Angstroms; R,D = Angstroms
-#   other quantities are unitless
-
-# MOD. This is the Si parameterization from the paper:
-# [1] T. Kumagai, S. Izumi, S. Hara, S. Sakai, Comp. Mat. Sci., 39, 457 (2007) 
-
-# format of a single entry (one or more lines):
-#   element 1, element 2, element 3, 
-#   beta, alpha, h, eta, 
-#   beta_ters, lambda2, B, R, D, lambda1, A, n
-#   c1,  c2,  c3,  c4,  c5  
-
-# Notes
-# 1) beta_ters must be equal to 1.0
-# 2) R = (R1+R2)/2, where R1 and R2 determined at [1] (R1 = 2.7A, R2 = 3.3A)
-# 3) D = (R2-R1)/2, where R1 and R2 determined at [1] (R1 = 2.7A, R2 = 3.3A)
-# 4) n = 1.0/(2*delta), where delta determined at [1] (eta*delta = 0.53298909)
-
-#mod
-Si  Si  Si  1.0  2.3890327  -.365  1.0 
-            1.0    1.345797  121.00047  3.0   0.3   3.2300135  3281.5905  .93810551 
-            0.20173476  730418.72  1000000.0  1.0  26.0 
+# DATE: 2013-07-26 CONTRIBUTOR: Unknown CITATION: Kumagai, Izumi, Hara and Sakai, Comp Mat Sci, 39, 457 (2007)
+
+# Modified Tersoff potential (named MOD potential) parameters for various elements and mixtures
+# multiple entries can be added to this file, LAMMPS reads the ones it needs
+# these entries are in LAMMPS "metal" units:
+#   A,B = eV; lambda1,lambda2 = 1/Angstroms; R,D = Angstroms
+#   other quantities are unitless
+
+# MOD. This is the Si parameterization from the paper:
+# [1] T. Kumagai, S. Izumi, S. Hara, S. Sakai, Comp. Mat. Sci., 39, 457 (2007) 
+
+# format of a single entry (one or more lines):
+#   element 1, element 2, element 3, 
+#   beta, alpha, h, eta, 
+#   beta_ters, lambda2, B, R, D, lambda1, A, n
+#   c1,  c2,  c3,  c4,  c5  
+
+# Notes
+# 1) beta_ters must be equal to 1.0
+# 2) R = (R1+R2)/2, where R1 and R2 determined at [1] (R1 = 2.7A, R2 = 3.3A)
+# 3) D = (R2-R1)/2, where R1 and R2 determined at [1] (R1 = 2.7A, R2 = 3.3A)
+# 4) n = 1.0/(2*delta), where delta determined at [1] (eta*delta = 0.53298909)
+
+#mod
+Si  Si  Si  1.0  2.3890327  -.365  1.0 
+            1.0    1.345797  121.00047  3.0   0.3   3.2300135  3281.5905  .93810551 
+            0.20173476  730418.72  1000000.0  1.0  26.0