# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Hale-L-M-Wong-B-M-Zimmerman-J-A-Zhou-X-W--Pd-Ag-H-Hybrid # implementation = EAM_Dynamo_HaleWongZimmerman_2008PairHybrid_PdAgH__MO_104806802344_005 # composition = AgH2 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 nan 1.16 nan 1.18 nan 1.20 nan 1.22 nan 1.24 nan 1.26 nan 1.28 nan 1.30 nan 1.32 nan 1.34 nan 1.36 nan 1.38 nan 1.40 1.077026170e+01 1.42 9.762140534e+00 1.44 8.741700941e+00 1.46 7.719905093e+00 1.48 6.745801734e+00 1.50 5.824796768e+00 1.52 4.961803590e+00 1.54 4.165352978e+00 1.56 3.443002011e+00 1.58 2.811757460e+00 1.60 2.251955293e+00 1.62 1.741462256e+00 1.64 1.264495778e+00 1.66 8.168041528e-01 1.68 4.144078648e-01 1.70 5.485451364e-02 1.72 -2.679151270e-01 1.74 -5.571167167e-01 1.76 -8.149510957e-01 1.78 -1.043387517e+00 1.80 -1.245738640e+00 1.82 -1.425622453e+00 1.84 -1.584395591e+00 1.86 -1.719678658e+00 1.88 -1.821442117e+00 1.90 -1.898913181e+00 1.92 -1.963687869e+00 1.94 -2.025170076e+00 1.96 -2.089008091e+00 1.98 -2.153185003e+00 2.00 -2.208148314e+00 2.02 -2.254548932e+00 2.04 -2.293902985e+00 2.06 -2.327076518e+00 2.08 -2.354661546e+00 2.10 -2.376364852e+00 2.12 -2.392607327e+00 2.14 -2.404048565e+00 2.16 -2.411168665e+00 2.18 -2.414335826e+00 2.20 -2.413720933e+00 2.22 -2.409181043e+00 2.24 -2.401129695e+00 2.26 -2.390077628e+00 2.28 -2.376517611e+00 2.30 -2.360852545e+00 2.32 -2.343341280e+00 2.34 -2.323760077e+00 2.36 -2.302015303e+00 2.38 -2.278209735e+00 2.40 -2.252456880e+00 2.42 -2.224886047e+00 2.44 -2.193617292e+00 2.46 -2.151166243e+00 2.48 -2.100240206e+00 2.50 -2.045307664e+00 2.52 -1.990739797e+00 2.54 -1.939805754e+00 2.56 -1.894200451e+00 2.58 -1.855302831e+00 2.60 -1.821208180e+00 2.62 -1.786871673e+00 2.64 -1.752572125e+00 2.66 -1.717735903e+00 2.68 -1.682108367e+00 2.70 -1.645468785e+00 2.72 -1.608178755e+00 2.74 -1.570970715e+00 2.76 -1.534554525e+00 2.78 -1.499493093e+00 2.80 -1.466028709e+00 2.82 -1.433118430e+00 2.84 -1.400424552e+00 2.86 -1.367995099e+00 2.88 -1.335875477e+00 2.90 -1.304107938e+00 2.92 -1.272730408e+00 2.94 -1.241774957e+00 2.96 -1.211266556e+00 2.98 -1.181222747e+00 3.00 -1.151654435e+00 3.02 -1.122567463e+00 3.04 -1.093964374e+00 3.06 -1.065845852e+00 3.08 -1.038211626e+00 3.10 -1.010932476e+00 3.12 -9.827734176e-01 3.14 -9.537536375e-01 3.16 -9.243804762e-01 3.18 -8.952096463e-01 3.20 -8.667748307e-01 3.22 -8.395275009e-01 3.24 -8.137935184e-01 3.26 -7.897498566e-01 3.28 -7.673994414e-01 3.30 -7.458937094e-01 3.32 -7.248371055e-01 3.34 -7.042500357e-01 3.36 -6.841586847e-01 3.38 -6.645933743e-01 3.40 -6.455849944e-01 3.42 -6.271600895e-01 3.44 -6.093356487e-01 3.46 -5.921151082e-01 3.48 -5.754868681e-01 3.50 -5.594258124e-01 3.52 -5.438972200e-01 3.54 -5.288617541e-01 3.56 -5.142801340e-01 3.58 -5.001165756e-01 3.60 -4.863407226e-01 3.62 -4.729282525e-01 3.64 -4.598605892e-01 3.66 -4.471241434e-01 3.68 -4.347093731e-01 3.70 -4.226094631e-01 3.72 -4.108182643e-01 3.74 -3.993296311e-01 3.76 -3.881374281e-01 3.78 -3.772355300e-01 3.80 -3.666178443e-01 3.82 -3.562783046e-01 3.84 -3.462108916e-01 3.86 -3.364096307e-01 3.88 -3.268686003e-01 3.90 -3.175819462e-01 3.92 -3.085438641e-01 3.94 -2.997486357e-01 3.96 -2.911906052e-01 3.98 -2.828641894e-01 4.00 -2.747639013e-01 4.02 -2.668843187e-01 4.04 -2.592201040e-01 4.06 -2.517660249e-01 4.08 -2.445169193e-01 4.10 -2.374677063e-01 4.12 -2.306134208e-01 4.14 -2.239491788e-01 4.16 -2.174701730e-01 4.18 -2.111716907e-01 4.20 -2.050491398e-01 4.22 -1.990980002e-01 4.24 -1.933138323e-01 4.26 -1.876922837e-01 4.28 -1.822291302e-01 4.30 -1.769202268e-01 4.32 -1.717615016e-01 4.34 -1.667489644e-01 4.36 -1.618787075e-01 4.38 -1.571229224e-01 4.40 -1.521727300e-01 4.42 -1.469860766e-01 4.44 -1.416419982e-01 4.46 -1.362305019e-01 4.48 -1.308460536e-01 4.50 -1.255805430e-01 4.52 -1.205177170e-01 4.54 -1.157293182e-01 4.56 -1.112713445e-01 4.58 -1.071804503e-01 4.60 -1.034754005e-01 4.62 -1.001576464e-01 4.64 -9.719684497e-02 4.66 -9.424024223e-02 4.68 -9.043377929e-02 4.70 -8.577705543e-02 4.72 -8.044392715e-02 4.74 -7.462930127e-02 4.76 -6.853927818e-02 4.78 -6.238143390e-02 4.80 -5.635563357e-02 4.82 -5.064574273e-02 4.84 -4.541254698e-02 4.86 -4.078811722e-02 4.88 -3.687176917e-02 4.90 -3.372770635e-02 4.92 -3.138434475e-02 4.94 -2.983500512e-02 4.96 -2.895485966e-02 4.98 -2.818555901e-02 5.00 -2.743743299e-02 5.02 -2.671017893e-02 5.04 -2.600323846e-02 5.06 -2.525078540e-02 5.08 -2.407799376e-02 5.10 -2.247581480e-02 5.12 -2.051698028e-02 5.14 -1.828646729e-02 5.16 -1.587750286e-02 5.18 -1.338742398e-02 5.20 -1.090905821e-02 5.22 -8.537173904e-03 5.24 -6.361934307e-03 5.26 -4.459403638e-03 5.28 -2.888279630e-03 5.30 -1.688352279e-03 5.32 -8.804181802e-04 5.34 -4.671899771e-04 5.36 -3.894873881e-04 5.38 -3.588730374e-04 5.40 -3.290590060e-04 5.42 -2.999651233e-04 5.44 -2.716541014e-04 5.46 -2.442156117e-04 5.48 -2.177642351e-04 5.50 -1.924353570e-04 5.52 -1.683787430e-04 5.54 -1.457498216e-04 5.56 -1.246990846e-04 5.58 -1.053604570e-04 5.60 -8.783984206e-05 5.62 -7.220524895e-05 5.64 -5.847984375e-05 5.66 -4.663887190e-05 5.68 -3.661083715e-05 5.70 -2.828266391e-05 5.72 -2.150795424e-05 5.74 -1.611711266e-05 5.76 -1.192801352e-05 5.78 -8.756027517e-06 5.80 -6.422558777e-06 5.82 -4.761613262e-06 5.84 -3.624281039e-06 5.86 -2.881281388e-06 5.88 -2.423876048e-06 5.90 -2.163544596e-06 5.92 -2.030804094e-06 5.94 -1.973502606e-06 5.96 -1.954864328e-06 5.98 -1.951429793e-06 6.00 -1.951366667e-06