# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuNiPd2 # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 7.760463341e+02 7.760463341e+02 1.00 7.078839625e+02 7.078839625e+02 1.02 6.464413355e+02 6.464413355e+02 1.04 5.909957506e+02 5.909957506e+02 1.06 5.409053491e+02 5.409053491e+02 1.08 4.955989718e+02 4.955989718e+02 1.10 4.545732335e+02 4.545732335e+02 1.12 4.173766156e+02 4.173766156e+02 1.14 3.836088642e+02 3.836088642e+02 1.16 3.529179355e+02 3.529179355e+02 1.18 3.249863108e+02 3.249863108e+02 1.20 2.995317081e+02 2.995317081e+02 1.22 2.763018259e+02 2.763018259e+02 1.24 2.550755449e+02 2.550755449e+02 1.26 2.356540316e+02 2.356540316e+02 1.28 2.178598889e+02 2.178598889e+02 1.30 2.015333183e+02 2.015333183e+02 1.32 1.865339360e+02 1.865339360e+02 1.34 1.727355437e+02 1.727355437e+02 1.36 1.600267342e+02 1.600267342e+02 1.38 1.483073142e+02 1.483073142e+02 1.40 1.374873977e+02 1.374873977e+02 1.42 1.274853818e+02 1.274853818e+02 1.44 1.182298790e+02 1.182298790e+02 1.46 1.096558587e+02 1.096558587e+02 1.48 1.017048324e+02 1.017048324e+02 1.50 9.432498193e+01 9.432498193e+01 1.52 8.746951036e+01 8.746951036e+01 1.54 8.109567431e+01 8.109567431e+01 1.56 7.516439841e+01 7.516439841e+01 1.58 6.964093549e+01 6.964093549e+01 1.60 6.449463216e+01 6.449463216e+01 1.62 5.969633952e+01 5.969633952e+01 1.64 5.522027070e+01 5.522027070e+01 1.66 5.104288092e+01 5.104288092e+01 1.68 4.714250782e+01 4.714250782e+01 1.70 4.349911887e+01 4.349911887e+01 1.72 4.009376695e+01 4.009376695e+01 1.74 3.691083397e+01 3.691083397e+01 1.76 3.393494218e+01 3.393494218e+01 1.78 3.115136905e+01 3.115136905e+01 1.80 2.854740435e+01 2.854740435e+01 1.82 2.609273895e+01 2.609273895e+01 1.84 2.379853013e+01 2.379853013e+01 1.86 2.164689367e+01 2.164689367e+01 1.88 1.962636167e+01 1.962636167e+01 1.90 1.773086500e+01 1.773086500e+01 1.92 1.595494860e+01 1.595494860e+01 1.94 1.429312178e+01 1.429312178e+01 1.96 1.274002514e+01 1.274002514e+01 1.98 1.129037566e+01 1.129037566e+01 2.00 9.939021580e+00 9.939021580e+00 2.02 8.680967238e+00 8.680967238e+00 2.04 7.511366490e+00 7.511366490e+00 2.06 6.425401528e+00 6.425401528e+00 2.08 5.418863849e+00 5.418863849e+00 2.10 4.487268669e+00 4.487268669e+00 2.12 3.625928078e+00 3.625928078e+00 2.14 2.831042585e+00 2.831042585e+00 2.16 2.098813527e+00 2.098813527e+00 2.18 1.425589265e+00 1.425589265e+00 2.20 8.079349858e-01 8.079349858e-01 2.22 2.424055822e-01 2.424055822e-01 2.24 -2.741631987e-01 -2.741631987e-01 2.26 -7.448076636e-01 -7.448076636e-01 2.28 -1.172445647e+00 -1.172445647e+00 2.30 -1.559889226e+00 -1.559889226e+00 2.32 -1.909752137e+00 -1.909752137e+00 2.34 -2.224246878e+00 -2.224246878e+00 2.36 -2.506040370e+00 -2.506040370e+00 2.38 -2.756941766e+00 -2.756941766e+00 2.40 -2.979233774e+00 -2.979233774e+00 2.42 -3.175360852e+00 -3.175360852e+00 2.44 -3.347108076e+00 -3.347108076e+00 2.46 -3.496260967e+00 -3.496260967e+00 2.48 -3.624508297e+00 -3.624508297e+00 2.50 -3.733440521e+00 -3.733440521e+00 2.52 -3.824937120e+00 -3.824937120e+00 2.54 -3.900212114e+00 -3.900212114e+00 2.56 -3.960385009e+00 -3.960385009e+00 2.58 -4.006678630e+00 -4.006678630e+00 2.60 -4.040155941e+00 -4.040155941e+00 2.62 -4.061998632e+00 -4.061998632e+00 2.64 -4.073025486e+00 -4.073025486e+00 2.66 -4.074187330e+00 -4.074187330e+00 2.68 -4.066746108e+00 -4.066746108e+00 2.70 -4.051335280e+00 -4.051335280e+00 2.72 -4.028732406e+00 -4.028732406e+00 2.74 -3.999228126e+00 -3.999228126e+00 2.76 -3.963798645e+00 -3.963798645e+00 2.78 -3.923780457e+00 -3.923780457e+00 2.80 -3.879499602e+00 -3.879499602e+00 2.82 -3.831060139e+00 -3.831060139e+00 2.84 -3.778945750e+00 -3.778945750e+00 2.86 -3.723604792e+00 -3.723604792e+00 2.88 -3.665451374e+00 -3.665451374e+00 2.90 -3.604890524e+00 -3.604890524e+00 2.92 -3.542502154e+00 -3.542502154e+00 2.94 -3.478347644e+00 -3.478347644e+00 2.96 -3.413019086e+00 -3.413019086e+00 2.98 -3.346448857e+00 -3.346448857e+00 3.00 -3.278730976e+00 -3.278730976e+00 3.02 -3.209151184e+00 -3.209151184e+00 3.04 -3.138634045e+00 -3.138634045e+00 3.06 -3.067903161e+00 -3.067903161e+00 3.08 -2.997117711e+00 -2.997117711e+00 3.10 -2.926434905e+00 -2.926434905e+00 3.12 -2.855993927e+00 -2.855993927e+00 3.14 -2.785920267e+00 -2.785920267e+00 3.16 -2.716326746e+00 -2.716326746e+00 3.18 -2.647314466e+00 -2.647314466e+00 3.20 -2.578973709e+00 -2.578973709e+00 3.22 -2.511384801e+00 -2.511384801e+00 3.24 -2.444607381e+00 -2.444607381e+00 3.26 -2.379305821e+00 -2.379305821e+00 3.28 -2.315111221e+00 -2.315111221e+00 3.30 -2.251863283e+00 -2.251863283e+00 3.32 -2.189604577e+00 -2.189604577e+00 3.34 -2.128372730e+00 -2.128372730e+00 3.36 -2.068199358e+00 -2.068199358e+00 3.38 -2.009110029e+00 -2.009110029e+00 3.40 -1.951138271e+00 -1.951138271e+00 3.42 -1.894488599e+00 -1.894488599e+00 3.44 -1.838961391e+00 -1.838961391e+00 3.46 -1.784465876e+00 -1.784465876e+00 3.48 -1.731013115e+00 -1.731013115e+00 3.50 -1.678695506e+00 -1.678695506e+00 3.52 -1.627554712e+00 -1.627554712e+00 3.54 -1.577573468e+00 -1.577573468e+00 3.56 -1.528735958e+00 -1.528735958e+00 3.58 -1.481042351e+00 -1.481042351e+00 3.60 -1.434484038e+00 -1.434484038e+00 3.62 -1.388974430e+00 -1.388974430e+00 3.64 -1.344432295e+00 -1.344432295e+00 3.66 -1.300839721e+00 -1.300839721e+00 3.68 -1.258265120e+00 -1.258265120e+00 3.70 -1.216763405e+00 -1.216763405e+00 3.72 -1.176355693e+00 -1.176355693e+00 3.74 -1.137016750e+00 -1.137016750e+00 3.76 -1.098726249e+00 -1.098726249e+00 3.78 -1.061465161e+00 -1.061465161e+00 3.80 -1.025213975e+00 -1.025213975e+00 3.82 -9.899451195e-01 -9.899451195e-01 3.84 -9.556492399e-01 -9.556492399e-01 3.86 -9.223048269e-01 -9.223048269e-01 3.88 -8.899043813e-01 -8.899043813e-01 3.90 -8.584328873e-01 -8.584328873e-01 3.92 -8.277896588e-01 -8.277896588e-01 3.94 -7.979644116e-01 -7.979644116e-01 3.96 -7.689677208e-01 -7.689677208e-01 3.98 -7.407857087e-01 -7.407857087e-01 4.00 -7.134771339e-01 -7.134771339e-01 4.02 -6.870853032e-01 -6.870853032e-01 4.04 -6.616458040e-01 -6.616458040e-01 4.06 -6.372197789e-01 -6.372197789e-01 4.08 -6.138056773e-01 -6.138056773e-01 4.10 -5.912834012e-01 -5.912834012e-01 4.12 -5.695729807e-01 -5.695729807e-01 4.14 -5.485419748e-01 -5.485419748e-01 4.16 -5.280701554e-01 -5.280701554e-01 4.18 -5.083666059e-01 -5.083666059e-01 4.20 -4.889456124e-01 -4.889456124e-01 4.22 -4.697569841e-01 -4.697569841e-01 4.24 -4.507640948e-01 -4.507640948e-01 4.26 -4.319477766e-01 -4.319477766e-01 4.28 -4.132775854e-01 -4.132775854e-01 4.30 -3.947601462e-01 -3.947601462e-01 4.32 -3.764417578e-01 -3.764417578e-01 4.34 -3.583411440e-01 -3.583411440e-01 4.36 -3.404997650e-01 -3.404997650e-01 4.38 -3.229455812e-01 -3.229455812e-01 4.40 -3.057583764e-01 -3.057583764e-01 4.42 -2.890116509e-01 -2.890116509e-01 4.44 -2.727608242e-01 -2.727608242e-01 4.46 -2.570462559e-01 -2.570462559e-01 4.48 -2.418958175e-01 -2.418958175e-01 4.50 -2.273270779e-01 -2.273270779e-01 4.52 -2.133491560e-01 -2.133491560e-01 4.54 -1.999642906e-01 -1.999642906e-01 4.56 -1.871690272e-01 -1.871690272e-01 4.58 -1.749437941e-01 -1.749437941e-01 4.60 -1.636137084e-01 -1.636137084e-01 4.62 -1.531311139e-01 -1.531311139e-01 4.64 -1.431413937e-01 -1.431413937e-01 4.66 -1.336404215e-01 -1.336404215e-01 4.68 -1.246114503e-01 -1.246114503e-01 4.70 -1.160369962e-01 -1.160369962e-01 4.72 -1.078991715e-01 -1.078991715e-01 4.74 -1.001799182e-01 -1.001799182e-01 4.76 -9.286119720e-02 -9.286119720e-02 4.78 -8.592738003e-02 -8.592738003e-02 4.80 -7.935783087e-02 -7.935783087e-02 4.82 -7.382811298e-02 -7.382811298e-02 4.84 -6.865426179e-02 -6.865426179e-02 4.86 -6.375007622e-02 -6.375007622e-02 4.88 -5.910264622e-02 -5.910264622e-02 4.90 -5.469946665e-02 -5.469946665e-02 4.92 -5.052849553e-02 -5.052849553e-02 4.94 -4.657816190e-02 -4.657816190e-02 4.96 -4.283736781e-02 -4.283736781e-02 4.98 -3.929548621e-02 -3.929548621e-02 5.00 -3.594235532e-02 -3.594235532e-02 5.02 -3.276827087e-02 -3.276827087e-02 5.04 -2.976397585e-02 -2.976397585e-02 5.06 -2.692064784e-02 -2.692064784e-02 5.08 -2.422988591e-02 -2.422988591e-02 5.10 -2.168369654e-02 -2.168369654e-02 5.12 -1.927447902e-02 -1.927447902e-02 5.14 -1.699501025e-02 -1.699501025e-02 5.16 -1.483842944e-02 -1.483842944e-02 5.18 -1.279822281e-02 -1.279822281e-02 5.20 -1.086820858e-02 -1.086820858e-02 5.22 -9.042522165e-03 -9.042522165e-03 5.24 -7.315601385e-03 -7.315601385e-03 5.26 -5.682140694e-03 -5.682140694e-03 5.28 -4.139196313e-03 -4.139196313e-03 5.30 -2.726579904e-03 -2.726579904e-03 5.32 -2.386208348e-03 -2.386208348e-03 5.34 -2.098099035e-03 -2.098099035e-03 5.36 -1.834638273e-03 -1.834638273e-03 5.38 -1.586892492e-03 -1.586892492e-03 5.40 -1.353956210e-03 -1.353956210e-03 5.42 -1.134974080e-03 -1.134974080e-03 5.44 -9.291382256e-04 -9.291382256e-04 5.46 -7.356857276e-04 -7.356857276e-04 5.48 -5.538962422e-04 -5.538962422e-04 5.50 -3.830897424e-04 -3.830897424e-04 5.52 -2.226243399e-04 -2.226243399e-04 5.54 -7.092660799e-05 -7.092660799e-05 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 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