# 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 = AgAuPd2 # 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 8.492450999e+02 8.492450999e+02 1.00 7.780770129e+02 7.780770129e+02 1.02 7.136899571e+02 7.136899571e+02 1.04 6.553667519e+02 6.553667519e+02 1.06 6.024710590e+02 6.024710590e+02 1.08 5.544354966e+02 5.544354966e+02 1.10 5.107596276e+02 5.107596276e+02 1.12 4.709961819e+02 4.709961819e+02 1.14 4.347464694e+02 4.347464694e+02 1.16 4.016572092e+02 4.016572092e+02 1.18 3.714121002e+02 3.714121002e+02 1.20 3.437292830e+02 3.437292830e+02 1.22 3.183566403e+02 3.183566403e+02 1.24 2.950711379e+02 2.950711379e+02 1.26 2.736726278e+02 2.736726278e+02 1.28 2.539823111e+02 2.539823111e+02 1.30 2.358390738e+02 2.358390738e+02 1.32 2.191009825e+02 2.191009825e+02 1.34 2.036402538e+02 2.036402538e+02 1.36 1.893420352e+02 1.893420352e+02 1.38 1.761038720e+02 1.761038720e+02 1.40 1.638332143e+02 1.638332143e+02 1.42 1.524467705e+02 1.524467705e+02 1.44 1.418706776e+02 1.418706776e+02 1.46 1.320374768e+02 1.320374768e+02 1.48 1.228865714e+02 1.228865714e+02 1.50 1.143636598e+02 1.143636598e+02 1.52 1.064193013e+02 1.064193013e+02 1.54 9.900834020e+01 9.900834020e+01 1.56 9.208983367e+01 9.208983367e+01 1.58 8.562687828e+01 8.562687828e+01 1.60 7.958653099e+01 7.958653099e+01 1.62 7.393780482e+01 7.393780482e+01 1.64 6.865276303e+01 6.865276303e+01 1.66 6.370601742e+01 6.370601742e+01 1.68 5.907411074e+01 5.907411074e+01 1.70 5.473543855e+01 5.473543855e+01 1.72 5.067006100e+01 5.067006100e+01 1.74 4.685973987e+01 4.685973987e+01 1.76 4.328757755e+01 4.328757755e+01 1.78 3.993751598e+01 3.993751598e+01 1.80 3.679534362e+01 3.679534362e+01 1.82 3.384788762e+01 3.384788762e+01 1.84 3.106687352e+01 3.106687352e+01 1.86 2.847180385e+01 2.847180385e+01 1.88 2.603210146e+01 2.603210146e+01 1.90 2.375350131e+01 2.375350131e+01 1.92 2.162107204e+01 2.162107204e+01 1.94 1.962653103e+01 1.962653103e+01 1.96 1.776207993e+01 1.776207993e+01 1.98 1.602024045e+01 1.602024045e+01 2.00 1.439418653e+01 1.439418653e+01 2.02 1.287738463e+01 1.287738463e+01 2.04 1.146364914e+01 1.146364914e+01 2.06 1.014701418e+01 1.014701418e+01 2.08 8.921858702e+00 8.921858702e+00 2.10 7.783144152e+00 7.783144152e+00 2.12 6.725566333e+00 6.725566333e+00 2.14 5.744628456e+00 5.744628456e+00 2.16 4.835899792e+00 4.835899792e+00 2.18 3.995183924e+00 3.995183924e+00 2.20 3.218586256e+00 3.218586256e+00 2.22 2.502198513e+00 2.502198513e+00 2.24 1.842483991e+00 1.842483991e+00 2.26 1.236057430e+00 1.236057430e+00 2.28 6.796684592e-01 6.796684592e-01 2.30 1.702379157e-01 1.702379157e-01 2.32 -2.952200452e-01 -2.952200452e-01 2.34 -7.194387396e-01 -7.194387396e-01 2.36 -1.104989742e+00 -1.104989742e+00 2.38 -1.454353811e+00 -1.454353811e+00 2.40 -1.769955557e+00 -1.769955557e+00 2.42 -2.053693883e+00 -2.053693883e+00 2.44 -2.307732271e+00 -2.307732271e+00 2.46 -2.534387068e+00 -2.534387068e+00 2.48 -2.735559317e+00 -2.735559317e+00 2.50 -2.913044866e+00 -2.913044866e+00 2.52 -3.068538913e+00 -3.068538913e+00 2.54 -3.203640391e+00 -3.203640391e+00 2.56 -3.319856208e+00 -3.319856208e+00 2.58 -3.418605353e+00 -3.418605353e+00 2.60 -3.501215250e+00 -3.501215250e+00 2.62 -3.568878516e+00 -3.568878516e+00 2.64 -3.622774417e+00 -3.622774417e+00 2.66 -3.664252776e+00 -3.664252776e+00 2.68 -3.694288329e+00 -3.694288329e+00 2.70 -3.713253787e+00 -3.713253787e+00 2.72 -3.722539689e+00 -3.722539689e+00 2.74 -3.723016937e+00 -3.723016937e+00 2.76 -3.715473089e+00 -3.715473089e+00 2.78 -3.701270907e+00 -3.701270907e+00 2.80 -3.680895889e+00 -3.680895889e+00 2.82 -3.654540793e+00 -3.654540793e+00 2.84 -3.622803275e+00 -3.622803275e+00 2.86 -3.586240303e+00 -3.586240303e+00 2.88 -3.545369355e+00 -3.545369355e+00 2.90 -3.500704851e+00 -3.500704851e+00 2.92 -3.453030558e+00 -3.453030558e+00 2.94 -3.402354954e+00 -3.402354954e+00 2.96 -3.349061874e+00 -3.349061874e+00 2.98 -3.293505614e+00 -3.293505614e+00 3.00 -3.236028525e+00 -3.236028525e+00 3.02 -3.176772472e+00 -3.176772472e+00 3.04 -3.116006361e+00 -3.116006361e+00 3.06 -3.053828340e+00 -3.053828340e+00 3.08 -2.989642137e+00 -2.989642137e+00 3.10 -2.924777040e+00 -2.924777040e+00 3.12 -2.859560466e+00 -2.859560466e+00 3.14 -2.794170249e+00 -2.794170249e+00 3.16 -2.728761499e+00 -2.728761499e+00 3.18 -2.663476803e+00 -2.663476803e+00 3.20 -2.598444885e+00 -2.598444885e+00 3.22 -2.533781848e+00 -2.533781848e+00 3.24 -2.469580908e+00 -2.469580908e+00 3.26 -2.406519139e+00 -2.406519139e+00 3.28 -2.344269755e+00 -2.344269755e+00 3.30 -2.282705250e+00 -2.282705250e+00 3.32 -2.221892622e+00 -2.221892622e+00 3.34 -2.161891726e+00 -2.161891726e+00 3.36 -2.102755458e+00 -2.102755458e+00 3.38 -2.044529322e+00 -2.044529322e+00 3.40 -1.987270041e+00 -1.987270041e+00 3.42 -1.931223992e+00 -1.931223992e+00 3.44 -1.876176731e+00 -1.876176731e+00 3.46 -1.822153011e+00 -1.822153011e+00 3.48 -1.769172690e+00 -1.769172690e+00 3.50 -1.717251923e+00 -1.717251923e+00 3.52 -1.666402432e+00 -1.666402432e+00 3.54 -1.616631972e+00 -1.616631972e+00 3.56 -1.567947296e+00 -1.567947296e+00 3.58 -1.520357314e+00 -1.520357314e+00 3.60 -1.473848973e+00 -1.473848973e+00 3.62 -1.428423307e+00 -1.428423307e+00 3.64 -1.384090648e+00 -1.384090648e+00 3.66 -1.340801639e+00 -1.340801639e+00 3.68 -1.298453340e+00 -1.298453340e+00 3.70 -1.256973952e+00 -1.256973952e+00 3.72 -1.216409258e+00 -1.216409258e+00 3.74 -1.176836415e+00 -1.176836415e+00 3.76 -1.138314152e+00 -1.138314152e+00 3.78 -1.100833348e+00 -1.100833348e+00 3.80 -1.064370767e+00 -1.064370767e+00 3.82 -1.028907053e+00 -1.028907053e+00 3.84 -9.944107191e-01 -9.944107191e-01 3.86 -9.608499700e-01 -9.608499700e-01 3.88 -9.282162143e-01 -9.282162143e-01 3.90 -8.965064683e-01 -8.965064683e-01 3.92 -8.657174599e-01 -8.657174599e-01 3.94 -8.358113447e-01 -8.358113447e-01 3.96 -8.066593372e-01 -8.066593372e-01 3.98 -7.782018789e-01 -7.782018789e-01 4.00 -7.505408701e-01 -7.505408701e-01 4.02 -7.237547700e-01 -7.237547700e-01 4.04 -6.978996575e-01 -6.978996575e-01 4.06 -6.730129857e-01 -6.730129857e-01 4.08 -6.491167956e-01 -6.491167956e-01 4.10 -6.262865620e-01 -6.262865620e-01 4.12 -6.045970005e-01 -6.045970005e-01 4.14 -5.838380092e-01 -5.838380092e-01 4.16 -5.637427727e-01 -5.637427727e-01 4.18 -5.441106197e-01 -5.441106197e-01 4.20 -5.247946230e-01 -5.247946230e-01 4.22 -5.056911839e-01 -5.056911839e-01 4.24 -4.867313125e-01 -4.867313125e-01 4.26 -4.678733558e-01 -4.678733558e-01 4.28 -4.490969593e-01 -4.490969593e-01 4.30 -4.303980744e-01 -4.303980744e-01 4.32 -4.117843958e-01 -4.117843958e-01 4.34 -3.932452212e-01 -3.932452212e-01 4.36 -3.747861606e-01 -3.747861606e-01 4.38 -3.564432333e-01 -3.564432333e-01 4.40 -3.383397748e-01 -3.383397748e-01 4.42 -3.205863601e-01 -3.205863601e-01 4.44 -3.032686091e-01 -3.032686091e-01 4.46 -2.864513233e-01 -2.864513233e-01 4.48 -2.701820054e-01 -2.701820054e-01 4.50 -2.544938455e-01 -2.544938455e-01 4.52 -2.394082523e-01 -2.394082523e-01 4.54 -2.249369951e-01 -2.249369951e-01 4.56 -2.110838715e-01 -2.110838715e-01 4.58 -1.978347178e-01 -1.978347178e-01 4.60 -1.855182204e-01 -1.855182204e-01 4.62 -1.740908582e-01 -1.740908582e-01 4.64 -1.631998731e-01 -1.631998731e-01 4.66 -1.528415111e-01 -1.528415111e-01 4.68 -1.429988415e-01 -1.429988415e-01 4.70 -1.336537548e-01 -1.336537548e-01 4.72 -1.247873988e-01 -1.247873988e-01 4.74 -1.163804956e-01 -1.163804956e-01 4.76 -1.084136001e-01 -1.084136001e-01 4.78 -1.008673072e-01 -1.008673072e-01 4.80 -9.371418967e-02 -9.371418967e-02 4.82 -8.718709204e-02 -8.718709204e-02 4.84 -8.110275475e-02 -8.110275475e-02 4.86 -7.534105917e-02 -7.534105917e-02 4.88 -6.988622204e-02 -6.988622204e-02 4.90 -6.472301321e-02 -6.472301321e-02 4.92 -5.983677501e-02 -5.983677501e-02 4.94 -5.521343322e-02 -5.521343322e-02 4.96 -5.083950030e-02 -5.083950030e-02 4.98 -4.670207311e-02 -4.670207311e-02 5.00 -4.278882601e-02 -4.278882601e-02 5.02 -3.908800095e-02 -3.908800095e-02 5.04 -3.558839452e-02 -3.558839452e-02 5.06 -3.227934177e-02 -3.227934177e-02 5.08 -2.915069954e-02 -2.915069954e-02 5.10 -2.619282838e-02 -2.619282838e-02 5.12 -2.339657398e-02 -2.339657398e-02 5.14 -2.075324782e-02 -2.075324782e-02 5.16 -1.825460759e-02 -1.825460759e-02 5.18 -1.589283786e-02 -1.589283786e-02 5.20 -1.366053096e-02 -1.366053096e-02 5.22 -1.155066828e-02 -1.155066828e-02 5.24 -9.556601549e-03 -9.556601549e-03 5.26 -7.672002348e-03 -7.672002348e-03 5.28 -5.893032422e-03 -5.893032422e-03 5.30 -4.260034619e-03 -4.260034619e-03 5.32 -3.744802993e-03 -3.744802993e-03 5.34 -3.293858787e-03 -3.293858787e-03 5.36 -2.878057708e-03 -2.878057708e-03 5.38 -2.487575227e-03 -2.487575227e-03 5.40 -2.120911018e-03 -2.120911018e-03 5.42 -1.776651127e-03 -1.776651127e-03 5.44 -1.453463131e-03 -1.453463131e-03 5.46 -1.150091582e-03 -1.150091582e-03 5.48 -8.653537126e-04 -8.653537126e-04 5.50 -5.981353733e-04 -5.981353733e-04 5.52 -3.473871322e-04 -3.473871322e-04 5.54 -1.106122807e-04 -1.106122807e-04 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 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00