# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Ag2CuPb # 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 2024-04-11 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.488340339e+02 2.488340339e+02 1.30 2.310359263e+02 2.310359263e+02 1.32 2.145469515e+02 2.145469515e+02 1.34 1.992630010e+02 1.992630010e+02 1.36 1.850875669e+02 1.850875669e+02 1.38 1.719318614e+02 1.719318614e+02 1.40 1.597149055e+02 1.597149055e+02 1.42 1.483633652e+02 1.483633652e+02 1.44 1.378108898e+02 1.378108898e+02 1.46 1.279970795e+02 1.279970795e+02 1.48 1.188665772e+02 1.188665772e+02 1.50 1.103685236e+02 1.103685236e+02 1.52 1.024562103e+02 1.024562103e+02 1.54 9.508664221e+01 9.508664221e+01 1.56 8.822001549e+01 8.822001549e+01 1.58 8.181934545e+01 8.181934545e+01 1.60 7.585039375e+01 7.585039375e+01 1.62 7.028179591e+01 7.028179591e+01 1.64 6.509087139e+01 6.509087139e+01 1.66 6.025773809e+01 6.025773809e+01 1.68 5.575820176e+01 5.575820176e+01 1.70 5.157009214e+01 5.157009214e+01 1.72 4.767275222e+01 4.767275222e+01 1.74 4.404660876e+01 4.404660876e+01 1.76 4.067288786e+01 4.067288786e+01 1.78 3.753356086e+01 3.753356086e+01 1.80 3.461152021e+01 3.461152021e+01 1.82 3.189085754e+01 3.189085754e+01 1.84 2.935704775e+01 2.935704775e+01 1.86 2.699694098e+01 2.699694098e+01 1.88 2.479860725e+01 2.479860725e+01 1.90 2.275111698e+01 2.275111698e+01 1.92 2.084435227e+01 2.084435227e+01 1.94 1.906888611e+01 1.906888611e+01 1.96 1.741592468e+01 1.741592468e+01 1.98 1.587728850e+01 1.587728850e+01 2.00 1.444538909e+01 1.444538909e+01 2.02 1.311318397e+01 1.311318397e+01 2.04 1.187411443e+01 1.187411443e+01 2.06 1.072204717e+01 1.072204717e+01 2.08 9.651231518e+00 9.651231518e+00 2.10 8.656277365e+00 8.656277365e+00 2.12 7.732142099e+00 7.732142099e+00 2.14 6.874119417e+00 6.874119417e+00 2.16 6.077826921e+00 6.077826921e+00 2.18 5.339190410e+00 5.339190410e+00 2.20 4.654422908e+00 4.654422908e+00 2.22 4.020000724e+00 4.020000724e+00 2.24 3.432633969e+00 3.432633969e+00 2.26 2.889234656e+00 2.889234656e+00 2.28 2.386882787e+00 2.386882787e+00 2.30 1.922806614e+00 1.922806614e+00 2.32 1.494364902e+00 1.494364902e+00 2.34 1.099053754e+00 1.099053754e+00 2.36 7.345158293e-01 7.345158293e-01 2.38 3.985559814e-01 3.985559814e-01 2.40 8.915005382e-02 8.915005382e-02 2.42 -1.955570562e-01 -1.955570562e-01 2.44 -4.572634405e-01 -4.572634405e-01 2.46 -6.975279631e-01 -6.975279631e-01 2.48 -9.177891413e-01 -9.177891413e-01 2.50 -1.119382025e+00 -1.119382025e+00 2.52 -1.303552164e+00 -1.303552164e+00 2.54 -1.471467226e+00 -1.471467226e+00 2.56 -1.624227298e+00 -1.624227298e+00 2.58 -1.762874336e+00 -1.762874336e+00 2.60 -1.888400080e+00 -1.888400080e+00 2.62 -2.001889566e+00 -2.001889566e+00 2.64 -2.104311206e+00 -2.104311206e+00 2.66 -2.196271693e+00 -2.196271693e+00 2.68 -2.278374973e+00 -2.278374973e+00 2.70 -2.351217244e+00 -2.351217244e+00 2.72 -2.415378553e+00 -2.415378553e+00 2.74 -2.471415230e+00 -2.471415230e+00 2.76 -2.519853102e+00 -2.519853102e+00 2.78 -2.561191189e+00 -2.561191189e+00 2.80 -2.595963499e+00 -2.595963499e+00 2.82 -2.624744470e+00 -2.624744470e+00 2.84 -2.647774317e+00 -2.647774317e+00 2.86 -2.665262465e+00 -2.665262465e+00 2.88 -2.677422008e+00 -2.677422008e+00 2.90 -2.684473235e+00 -2.684473235e+00 2.92 -2.686646937e+00 -2.686646937e+00 2.94 -2.684187005e+00 -2.684187005e+00 2.96 -2.677352253e+00 -2.677352253e+00 2.98 -2.666421188e+00 -2.666421188e+00 3.00 -2.651699689e+00 -2.651699689e+00 3.02 -2.633507586e+00 -2.633507586e+00 3.04 -2.612174975e+00 -2.612174975e+00 3.06 -2.588068221e+00 -2.588068221e+00 3.08 -2.561498640e+00 -2.561498640e+00 3.10 -2.532755600e+00 -2.532755600e+00 3.12 -2.502116877e+00 -2.502116877e+00 3.14 -2.469843331e+00 -2.469843331e+00 3.16 -2.436169268e+00 -2.436169268e+00 3.18 -2.401302502e+00 -2.401302502e+00 3.20 -2.365423106e+00 -2.365423106e+00 3.22 -2.328683073e+00 -2.328683073e+00 3.24 -2.291202675e+00 -2.291202675e+00 3.26 -2.253080239e+00 -2.253080239e+00 3.28 -2.214398980e+00 -2.214398980e+00 3.30 -2.175230394e+00 -2.175230394e+00 3.32 -2.135637821e+00 -2.135637821e+00 3.34 -2.095679796e+00 -2.095679796e+00 3.36 -2.055412876e+00 -2.055412876e+00 3.38 -2.014893689e+00 -2.014893689e+00 3.40 -1.974179918e+00 -1.974179918e+00 3.42 -1.933331306e+00 -1.933331306e+00 3.44 -1.892408074e+00 -1.892408074e+00 3.46 -1.851470774e+00 -1.851470774e+00 3.48 -1.810578847e+00 -1.810578847e+00 3.50 -1.769789344e+00 -1.769789344e+00 3.52 -1.729155763e+00 -1.729155763e+00 3.54 -1.688727140e+00 -1.688727140e+00 3.56 -1.648547475e+00 -1.648547475e+00 3.58 -1.608655523e+00 -1.608655523e+00 3.60 -1.569084958e+00 -1.569084958e+00 3.62 -1.529864888e+00 -1.529864888e+00 3.64 -1.491020668e+00 -1.491020668e+00 3.66 -1.452574942e+00 -1.452574942e+00 3.68 -1.414548820e+00 -1.414548820e+00 3.70 -1.376963090e+00 -1.376963090e+00 3.72 -1.339839335e+00 -1.339839335e+00 3.74 -1.303200854e+00 -1.303200854e+00 3.76 -1.267073277e+00 -1.267073277e+00 3.78 -1.231484778e+00 -1.231484778e+00 3.80 -1.196465850e+00 -1.196465850e+00 3.82 -1.162048593e+00 -1.162048593e+00 3.84 -1.128265544e+00 -1.128265544e+00 3.86 -1.095148134e+00 -1.095148134e+00 3.88 -1.062724915e+00 -1.062724915e+00 3.90 -1.031019775e+00 -1.031019775e+00 3.92 -1.000050019e+00 -1.000050019e+00 3.94 -9.698266351e-01 -9.698266351e-01 3.96 -9.403514696e-01 -9.403514696e-01 3.98 -9.116188146e-01 -9.116188146e-01 4.00 -8.836155513e-01 -8.836155513e-01 4.02 -8.563221340e-01 -8.563221340e-01 4.04 -8.297138384e-01 -8.297138384e-01 4.06 -8.037621240e-01 -8.037621240e-01 4.08 -7.784359960e-01 -7.784359960e-01 4.10 -7.537022472e-01 -7.537022472e-01 4.12 -7.295310209e-01 -7.295310209e-01 4.14 -7.058900083e-01 -7.058900083e-01 4.16 -6.827502739e-01 -6.827502739e-01 4.18 -6.600858944e-01 -6.600858944e-01 4.20 -6.378748051e-01 -6.378748051e-01 4.22 -6.160995643e-01 -6.160995643e-01 4.24 -5.947480017e-01 -5.947480017e-01 4.26 -5.738137012e-01 -5.738137012e-01 4.28 -5.532962634e-01 -5.532962634e-01 4.30 -5.332012870e-01 -5.332012870e-01 4.32 -5.135400274e-01 -5.135400274e-01 4.34 -4.943287116e-01 -4.943287116e-01 4.36 -4.755875193e-01 -4.755875193e-01 4.38 -4.573392749e-01 -4.573392749e-01 4.40 -4.396079240e-01 -4.396079240e-01 4.42 -4.224168931e-01 -4.224168931e-01 4.44 -4.057874452e-01 -4.057874452e-01 4.46 -3.897371468e-01 -3.897371468e-01 4.48 -3.742785586e-01 -3.742785586e-01 4.50 -3.594182423e-01 -3.594182423e-01 4.52 -3.451561518e-01 -3.451561518e-01 4.54 -3.314854390e-01 -3.314854390e-01 4.56 -3.183926666e-01 -3.183926666e-01 4.58 -3.058583824e-01 -3.058583824e-01 4.60 -2.938579770e-01 -2.938579770e-01 4.62 -2.823627339e-01 -2.823627339e-01 4.64 -2.713409725e-01 -2.713409725e-01 4.66 -2.607592000e-01 -2.607592000e-01 4.68 -2.505832022e-01 -2.505832022e-01 4.70 -2.407790299e-01 -2.407790299e-01 4.72 -2.313138572e-01 -2.313138572e-01 4.74 -2.221567077e-01 -2.221567077e-01 4.76 -2.132790561e-01 -2.132790561e-01 4.78 -2.046553198e-01 -2.046553198e-01 4.80 -1.962624885e-01 -1.962624885e-01 4.82 -1.880836161e-01 -1.880836161e-01 4.84 -1.801030721e-01 -1.801030721e-01 4.86 -1.723101481e-01 -1.723101481e-01 4.88 -1.646981881e-01 -1.646981881e-01 4.90 -1.572645119e-01 -1.572645119e-01 4.92 -1.500102055e-01 -1.500102055e-01 4.94 -1.429397619e-01 -1.429397619e-01 4.96 -1.360605712e-01 -1.360605712e-01 4.98 -1.293822650e-01 -1.293822650e-01 5.00 -1.229159467e-01 -1.229159467e-01 5.02 -1.166733408e-01 -1.166733408e-01 5.04 -1.106659278e-01 -1.106659278e-01 5.06 -1.049041239e-01 -1.049041239e-01 5.08 -9.939656510e-02 -9.939656510e-02 5.10 -9.414955075e-02 -9.414955075e-02 5.12 -8.916667356e-02 -8.916667356e-02 5.14 -8.444865876e-02 -8.444865876e-02 5.16 -7.999339925e-02 -7.999339925e-02 5.18 -7.579615833e-02 -7.579615833e-02 5.20 -7.184965963e-02 -7.184965963e-02 5.22 -6.814460338e-02 -6.814460338e-02 5.24 -6.467100641e-02 -6.467100641e-02 5.26 -6.141772908e-02 -6.141772908e-02 5.28 -5.837287831e-02 -5.837287831e-02 5.30 -5.552418663e-02 -5.552418663e-02 5.32 -5.285931283e-02 -5.285931283e-02 5.34 -5.036606624e-02 -5.036606624e-02 5.36 -4.803250112e-02 -4.803250112e-02 5.38 -4.584708032e-02 -4.584708032e-02 5.40 -4.379888225e-02 -4.379888225e-02 5.42 -4.187746336e-02 -4.187746336e-02 5.44 -4.007287783e-02 -4.007287783e-02 5.46 -3.837568886e-02 -3.837568886e-02 5.48 -3.677697277e-02 -3.677697277e-02 5.50 -3.526831881e-02 -3.526831881e-02 5.52 -3.384182616e-02 -3.384182616e-02 5.54 -3.249009838e-02 -3.249009838e-02 5.56 -3.120623529e-02 -3.120623529e-02 5.58 -2.998382209e-02 -2.998382209e-02 5.60 -2.881691570e-02 -2.881691570e-02 5.62 -2.770002870e-02 -2.770002870e-02 5.64 -2.662811091e-02 -2.662811091e-02 5.66 -2.559653024e-02 -2.559653024e-02 5.68 -2.460105304e-02 -2.460105304e-02 5.70 -2.363782498e-02 -2.363782498e-02 5.72 -2.270335341e-02 -2.270335341e-02 5.74 -2.179449182e-02 -2.179449182e-02 5.76 -2.090842707e-02 -2.090842707e-02 5.78 -2.004266971e-02 -2.004266971e-02 5.80 -1.919504756e-02 -1.919504756e-02 5.82 -1.836370235e-02 -1.836370235e-02 5.84 -1.754708907e-02 -1.754708907e-02 5.86 -1.674397736e-02 -1.674397736e-02 5.88 -1.595345392e-02 -1.595345392e-02 5.90 -1.517492474e-02 -1.517492474e-02 5.92 -1.440811573e-02 -1.440811573e-02 5.94 -1.365305266e-02 -1.365305266e-02 5.96 -1.290999090e-02 -1.290999090e-02 5.98 -1.217958763e-02 -1.217958763e-02 6.00 -1.146279320e-02 -1.146279320e-02