# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgPdPt2 # 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 1.024340882e+03 1.024340882e+03 1.00 9.405166441e+02 9.405166441e+02 1.02 8.642387207e+02 8.642387207e+02 1.04 7.947532316e+02 7.947532316e+02 1.06 7.313900334e+02 7.313900334e+02 1.08 6.735501320e+02 6.735501320e+02 1.10 6.207036536e+02 6.207036536e+02 1.12 5.723743917e+02 5.723743917e+02 1.14 5.281352839e+02 5.281352839e+02 1.16 4.876063061e+02 4.876063061e+02 1.18 4.504448517e+02 4.504448517e+02 1.20 4.163420228e+02 4.163420228e+02 1.22 3.850190321e+02 3.850190321e+02 1.24 3.562273293e+02 3.562273293e+02 1.26 3.297406941e+02 3.297406941e+02 1.28 3.053547628e+02 3.053547628e+02 1.30 2.828835352e+02 2.828835352e+02 1.32 2.621615022e+02 2.621615022e+02 1.34 2.430379582e+02 2.430379582e+02 1.36 2.253758641e+02 2.253758641e+02 1.38 2.090509542e+02 2.090509542e+02 1.40 1.939499039e+02 1.939499039e+02 1.42 1.799701772e+02 1.799701772e+02 1.44 1.670195447e+02 1.670195447e+02 1.46 1.550134822e+02 1.550134822e+02 1.48 1.438750077e+02 1.438750077e+02 1.50 1.335340584e+02 1.335340584e+02 1.52 1.239268852e+02 1.239268852e+02 1.54 1.149948663e+02 1.149948663e+02 1.56 1.066847408e+02 1.066847408e+02 1.58 9.894836202e+01 9.894836202e+01 1.60 9.174224065e+01 9.174224065e+01 1.62 8.502600196e+01 8.502600196e+01 1.64 7.876277842e+01 7.876277842e+01 1.66 7.291869442e+01 7.291869442e+01 1.68 6.746278599e+01 6.746278599e+01 1.70 6.236667371e+01 6.236667371e+01 1.72 5.760425018e+01 5.760425018e+01 1.74 5.315168363e+01 5.315168363e+01 1.76 4.898698815e+01 4.898698815e+01 1.78 4.508950322e+01 4.508950322e+01 1.80 4.144084428e+01 4.144084428e+01 1.82 3.802407065e+01 3.802407065e+01 1.84 3.482334876e+01 3.482334876e+01 1.86 3.182406814e+01 3.182406814e+01 1.88 2.901965094e+01 2.901965094e+01 1.90 2.638186021e+01 2.638186021e+01 1.92 2.393175232e+01 2.393175232e+01 1.94 2.164536077e+01 2.164536077e+01 1.96 1.951201893e+01 1.951201893e+01 1.98 1.752230258e+01 1.752230258e+01 2.00 1.566765608e+01 1.566765608e+01 2.02 1.393998354e+01 1.393998354e+01 2.04 1.233170397e+01 1.233170397e+01 2.06 1.083550746e+01 1.083550746e+01 2.08 9.444580150e+00 9.444580150e+00 2.10 8.153049173e+00 8.153049173e+00 2.12 6.954655776e+00 6.954655776e+00 2.14 5.844125311e+00 5.844125311e+00 2.16 4.816430281e+00 4.816430281e+00 2.18 3.866686145e+00 3.866686145e+00 2.20 2.990294570e+00 2.990294570e+00 2.22 2.182871034e+00 2.182871034e+00 2.24 1.440314544e+00 1.440314544e+00 2.26 7.587401412e-01 7.587401412e-01 2.28 1.344589774e-01 1.344589774e-01 2.30 -4.357723207e-01 -4.357723207e-01 2.32 -9.554736041e-01 -9.554736041e-01 2.34 -1.427803052e+00 -1.427803052e+00 2.36 -1.855681907e+00 -1.855681907e+00 2.38 -2.241994506e+00 -2.241994506e+00 2.40 -2.589462107e+00 -2.589462107e+00 2.42 -2.900657793e+00 -2.900657793e+00 2.44 -3.177748349e+00 -3.177748349e+00 2.46 -3.423169065e+00 -3.423169065e+00 2.48 -3.639187055e+00 -3.639187055e+00 2.50 -3.827870792e+00 -3.827870792e+00 2.52 -3.991179597e+00 -3.991179597e+00 2.54 -4.130968072e+00 -4.130968072e+00 2.56 -4.248997347e+00 -4.248997347e+00 2.58 -4.346444463e+00 -4.346444463e+00 2.60 -4.425327541e+00 -4.425327541e+00 2.62 -4.487146182e+00 -4.487146182e+00 2.64 -4.533293203e+00 -4.533293203e+00 2.66 -4.565296957e+00 -4.565296957e+00 2.68 -4.584395355e+00 -4.584395355e+00 2.70 -4.591280805e+00 -4.591280805e+00 2.72 -4.587208559e+00 -4.587208559e+00 2.74 -4.573241445e+00 -4.573241445e+00 2.76 -4.550313456e+00 -4.550313456e+00 2.78 -4.520278306e+00 -4.520278306e+00 2.80 -4.483558334e+00 -4.483558334e+00 2.82 -4.440286982e+00 -4.440286982e+00 2.84 -4.391171280e+00 -4.391171280e+00 2.86 -4.336869137e+00 -4.336869137e+00 2.88 -4.277990158e+00 -4.277990158e+00 2.90 -4.215114348e+00 -4.215114348e+00 2.92 -4.148917159e+00 -4.148917159e+00 2.94 -4.079711144e+00 -4.079711144e+00 2.96 -4.006539414e+00 -4.006539414e+00 2.98 -3.931091767e+00 -3.931091767e+00 3.00 -3.853930117e+00 -3.853930117e+00 3.02 -3.775390072e+00 -3.775390072e+00 3.04 -3.695775165e+00 -3.695775165e+00 3.06 -3.615373863e+00 -3.615373863e+00 3.08 -3.533769631e+00 -3.533769631e+00 3.10 -3.451836492e+00 -3.451836492e+00 3.12 -3.369869677e+00 -3.369869677e+00 3.14 -3.287985886e+00 -3.287985886e+00 3.16 -3.206381844e+00 -3.206381844e+00 3.18 -3.125251580e+00 -3.125251580e+00 3.20 -3.044729763e+00 -3.044729763e+00 3.22 -2.964937582e+00 -2.964937582e+00 3.24 -2.885964639e+00 -2.885964639e+00 3.26 -2.808858127e+00 -2.808858127e+00 3.28 -2.733032430e+00 -2.733032430e+00 3.30 -2.658231834e+00 -2.658231834e+00 3.32 -2.584522523e+00 -2.584522523e+00 3.34 -2.511963339e+00 -2.511963339e+00 3.36 -2.440604657e+00 -2.440604657e+00 3.38 -2.370489461e+00 -2.370489461e+00 3.40 -2.301658127e+00 -2.301658127e+00 3.42 -2.234192332e+00 -2.234192332e+00 3.44 -2.168056303e+00 -2.168056303e+00 3.46 -2.103268291e+00 -2.103268291e+00 3.48 -2.039839842e+00 -2.039839842e+00 3.50 -1.977789670e+00 -1.977789670e+00 3.52 -1.917126228e+00 -1.917126228e+00 3.54 -1.857826935e+00 -1.857826935e+00 3.56 -1.799881988e+00 -1.799881988e+00 3.58 -1.743255541e+00 -1.743255541e+00 3.60 -1.687862306e+00 -1.687862306e+00 3.62 -1.633653828e+00 -1.633653828e+00 3.64 -1.580706288e+00 -1.580706288e+00 3.66 -1.529111771e+00 -1.529111771e+00 3.68 -1.478871637e+00 -1.478871637e+00 3.70 -1.429909832e+00 -1.429909832e+00 3.72 -1.382176677e+00 -1.382176677e+00 3.74 -1.335669748e+00 -1.335669748e+00 3.76 -1.290405995e+00 -1.290405995e+00 3.78 -1.246402042e+00 -1.246402042e+00 3.80 -1.203648586e+00 -1.203648586e+00 3.82 -1.162111473e+00 -1.162111473e+00 3.84 -1.121743276e+00 -1.121743276e+00 3.86 -1.082520841e+00 -1.082520841e+00 3.88 -1.044428339e+00 -1.044428339e+00 3.90 -1.007437868e+00 -1.007437868e+00 3.92 -9.715362639e-01 -9.715362639e-01 3.94 -9.366301704e-01 -9.366301704e-01 3.96 -9.026941500e-01 -9.026941500e-01 3.98 -8.697676310e-01 -8.697676310e-01 4.00 -8.377944395e-01 -8.377944395e-01 4.02 -8.067435355e-01 -8.067435355e-01 4.04 -7.767030763e-01 -7.767030763e-01 4.06 -7.477365658e-01 -7.477365658e-01 4.08 -7.199386338e-01 -7.199386338e-01 4.10 -6.933472675e-01 -6.933472675e-01 4.12 -6.678221968e-01 -6.678221968e-01 4.14 -6.432992146e-01 -6.432992146e-01 4.16 -6.197318410e-01 -6.197318410e-01 4.18 -5.968626226e-01 -5.968626226e-01 4.20 -5.744810511e-01 -5.744810511e-01 4.22 -5.524366400e-01 -5.524366400e-01 4.24 -5.306268048e-01 -5.306268048e-01 4.26 -5.089867761e-01 -5.089867761e-01 4.28 -4.874812379e-01 -4.874812379e-01 4.30 -4.660974316e-01 -4.660974316e-01 4.32 -4.448023616e-01 -4.448023616e-01 4.34 -4.236096333e-01 -4.236096333e-01 4.36 -4.026054229e-01 -4.026054229e-01 4.38 -3.818245952e-01 -3.818245952e-01 4.40 -3.613419076e-01 -3.613419076e-01 4.42 -3.412889077e-01 -3.412889077e-01 4.44 -3.217665795e-01 -3.217665795e-01 4.46 -3.028500861e-01 -3.028500861e-01 4.48 -2.845933007e-01 -2.845933007e-01 4.50 -2.670326304e-01 -2.670326304e-01 4.52 -2.501902373e-01 -2.501902373e-01 4.54 -2.340767476e-01 -2.340767476e-01 4.56 -2.186932057e-01 -2.186932057e-01 4.58 -2.040069903e-01 -2.040069903e-01 4.60 -1.907658617e-01 -1.907658617e-01 4.62 -1.788800270e-01 -1.788800270e-01 4.64 -1.675633506e-01 -1.675633506e-01 4.66 -1.568221628e-01 -1.568221628e-01 4.68 -1.466354434e-01 -1.466354434e-01 4.70 -1.369813476e-01 -1.369813476e-01 4.72 -1.278376619e-01 -1.278376619e-01 4.74 -1.191820830e-01 -1.191820830e-01 4.76 -1.109924426e-01 -1.109924426e-01 4.78 -1.032468837e-01 -1.032468837e-01 4.80 -9.592226356e-02 -9.592226356e-02 4.82 -8.905086767e-02 -8.905086767e-02 4.84 -8.257761268e-02 -8.257761268e-02 4.86 -7.646141199e-02 -7.646141199e-02 4.88 -7.068382400e-02 -7.068382400e-02 4.90 -6.522714001e-02 -6.522714001e-02 4.92 -6.007439592e-02 -6.007439592e-02 4.94 -5.520937490e-02 -5.520937490e-02 4.96 -5.061660165e-02 -5.061660165e-02 4.98 -4.628133116e-02 -4.628133116e-02 5.00 -4.218953267e-02 -4.218953267e-02 5.02 -3.832787119e-02 -3.832787119e-02 5.04 -3.468368589e-02 -3.468368589e-02 5.06 -3.124496552e-02 -3.124496552e-02 5.08 -2.800032382e-02 -2.800032382e-02 5.10 -2.493897409e-02 -2.493897409e-02 5.12 -2.205070357e-02 -2.205070357e-02 5.14 -1.932584744e-02 -1.932584744e-02 5.16 -1.675526308e-02 -1.675526308e-02 5.18 -1.433030499e-02 -1.433030499e-02 5.20 -1.204280028e-02 -1.204280028e-02 5.22 -9.885025123e-03 -9.885025123e-03 5.24 -7.849681271e-03 -7.849681271e-03 5.26 -5.929835101e-03 -5.929835101e-03 5.28 -4.121512600e-03 -4.121512600e-03 5.30 -2.473664160e-03 -2.473664160e-03 5.32 -2.148747748e-03 -2.148747748e-03 5.34 -1.883529496e-03 -1.883529496e-03 5.36 -1.644106086e-03 -1.644106086e-03 5.38 -1.419639405e-03 -1.419639405e-03 5.40 -1.209217430e-03 -1.209217430e-03 5.42 -1.011982323e-03 -1.011982323e-03 5.44 -8.271272801e-04 -8.271272801e-04 5.46 -6.538935812e-04 -6.538935812e-04 5.48 -4.915678077e-04 -4.915678077e-04 5.50 -3.394792252e-04 -3.394792252e-04 5.52 -1.969972755e-04 -1.969972755e-04 5.54 -6.267536912e-05 -6.267536912e-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 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