# 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 = AgMo2Pb # 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 3.642300170e+02 3.642300170e+02 1.30 3.388597672e+02 3.388597672e+02 1.32 3.153091919e+02 3.153091919e+02 1.34 2.934308874e+02 2.934308874e+02 1.36 2.730938174e+02 2.730938174e+02 1.38 2.541808481e+02 2.541808481e+02 1.40 2.365860969e+02 2.365860969e+02 1.42 2.202124240e+02 2.202124240e+02 1.44 2.049695930e+02 2.049695930e+02 1.46 1.907733268e+02 1.907733268e+02 1.48 1.775451347e+02 1.775451347e+02 1.50 1.652125949e+02 1.652125949e+02 1.52 1.537096809e+02 1.537096809e+02 1.54 1.429766895e+02 1.429766895e+02 1.56 1.329596112e+02 1.329596112e+02 1.58 1.236091541e+02 1.236091541e+02 1.60 1.148797184e+02 1.148797184e+02 1.62 1.067285687e+02 1.067285687e+02 1.64 9.911529485e+01 9.911529485e+01 1.66 9.200160902e+01 9.200160902e+01 1.68 8.535141954e+01 8.535141954e+01 1.70 7.913111846e+01 7.913111846e+01 1.72 7.330995147e+01 7.330995147e+01 1.74 6.786033218e+01 6.786033218e+01 1.76 6.275980808e+01 6.275980808e+01 1.78 5.799072856e+01 5.799072856e+01 1.80 5.353771427e+01 5.353771427e+01 1.82 4.939050972e+01 4.939050972e+01 1.84 4.553205314e+01 4.553205314e+01 1.86 4.194542838e+01 4.194542838e+01 1.88 3.861394887e+01 3.861394887e+01 1.90 3.552116873e+01 3.552116873e+01 1.92 3.265103095e+01 3.265103095e+01 1.94 2.998804481e+01 2.998804481e+01 1.96 2.751741186e+01 2.751741186e+01 1.98 2.522509431e+01 2.522509431e+01 2.00 2.309783528e+01 2.309783528e+01 2.02 2.112315715e+01 2.112315715e+01 2.04 1.928934719e+01 1.928934719e+01 2.06 1.758543499e+01 1.758543499e+01 2.08 1.600116762e+01 1.600116762e+01 2.10 1.452699664e+01 1.452699664e+01 2.12 1.315408736e+01 1.315408736e+01 2.14 1.187434484e+01 1.187434484e+01 2.16 1.068044419e+01 1.068044419e+01 2.18 9.565842636e+00 9.565842636e+00 2.20 8.524754372e+00 8.524754372e+00 2.22 7.552090006e+00 7.552090006e+00 2.24 6.643365712e+00 6.643365712e+00 2.26 5.794599440e+00 5.794599440e+00 2.28 5.002206458e+00 5.002206458e+00 2.30 4.262911977e+00 4.262911977e+00 2.32 3.573673042e+00 3.573673042e+00 2.34 2.931631109e+00 2.931631109e+00 2.36 2.334073016e+00 2.334073016e+00 2.38 1.778413032e+00 1.778413032e+00 2.40 1.262186478e+00 1.262186478e+00 2.42 7.830527151e-01 7.830527151e-01 2.44 3.388022373e-01 3.388022373e-01 2.46 -7.263462524e-02 -7.263462524e-02 2.48 -4.531823531e-01 -4.531823531e-01 2.50 -8.046202451e-01 -8.046202451e-01 2.52 -1.128515137e+00 -1.128515137e+00 2.54 -1.426182820e+00 -1.426182820e+00 2.56 -1.699244981e+00 -1.699244981e+00 2.58 -1.949231994e+00 -1.949231994e+00 2.60 -2.177556743e+00 -2.177556743e+00 2.62 -2.385529784e+00 -2.385529784e+00 2.64 -2.574373552e+00 -2.574373552e+00 2.66 -2.745226958e+00 -2.745226958e+00 2.68 -2.899144295e+00 -2.899144295e+00 2.70 -3.036840480e+00 -3.036840480e+00 2.72 -3.158767629e+00 -3.158767629e+00 2.74 -3.265407391e+00 -3.265407391e+00 2.76 -3.357278086e+00 -3.357278086e+00 2.78 -3.434930089e+00 -3.434930089e+00 2.80 -3.498942685e+00 -3.498942685e+00 2.82 -3.549922146e+00 -3.549922146e+00 2.84 -3.588503140e+00 -3.588503140e+00 2.86 -3.615352479e+00 -3.615352479e+00 2.88 -3.631174907e+00 -3.631174907e+00 2.90 -3.636719269e+00 -3.636719269e+00 2.92 -3.632782782e+00 -3.632782782e+00 2.94 -3.620210985e+00 -3.620210985e+00 2.96 -3.599891292e+00 -3.599891292e+00 2.98 -3.572739062e+00 -3.572739062e+00 3.00 -3.539676516e+00 -3.539676516e+00 3.02 -3.501606355e+00 -3.501606355e+00 3.04 -3.459382742e+00 -3.459382742e+00 3.06 -3.413858556e+00 -3.413858556e+00 3.08 -3.365733264e+00 -3.365733264e+00 3.10 -3.315459118e+00 -3.315459118e+00 3.12 -3.263386094e+00 -3.263386094e+00 3.14 -3.209766991e+00 -3.209766991e+00 3.16 -3.154758234e+00 -3.154758234e+00 3.18 -3.098435770e+00 -3.098435770e+00 3.20 -3.040809128e+00 -3.040809128e+00 3.22 -2.981846972e+00 -2.981846972e+00 3.24 -2.921485129e+00 -2.921485129e+00 3.26 -2.859634984e+00 -2.859634984e+00 3.28 -2.796254663e+00 -2.796254663e+00 3.30 -2.731218704e+00 -2.731218704e+00 3.32 -2.664347218e+00 -2.664347218e+00 3.34 -2.595518704e+00 -2.595518704e+00 3.36 -2.524687188e+00 -2.524687188e+00 3.38 -2.451876577e+00 -2.451876577e+00 3.40 -2.377153760e+00 -2.377153760e+00 3.42 -2.300691901e+00 -2.300691901e+00 3.44 -2.222779309e+00 -2.222779309e+00 3.46 -2.143808661e+00 -2.143808661e+00 3.48 -2.064256796e+00 -2.064256796e+00 3.50 -1.984657757e+00 -1.984657757e+00 3.52 -1.905571680e+00 -1.905571680e+00 3.54 -1.827552867e+00 -1.827552867e+00 3.56 -1.751120424e+00 -1.751120424e+00 3.58 -1.676734255e+00 -1.676734255e+00 3.60 -1.604778201e+00 -1.604778201e+00 3.62 -1.535550977e+00 -1.535550977e+00 3.64 -1.469264440e+00 -1.469264440e+00 3.66 -1.406047938e+00 -1.406047938e+00 3.68 -1.345957030e+00 -1.345957030e+00 3.70 -1.288984734e+00 -1.288984734e+00 3.72 -1.235073700e+00 -1.235073700e+00 3.74 -1.184128005e+00 -1.184128005e+00 3.76 -1.136023774e+00 -1.136023774e+00 3.78 -1.090618177e+00 -1.090618177e+00 3.80 -1.047756773e+00 -1.047756773e+00 3.82 -1.007279313e+00 -1.007279313e+00 3.84 -9.690242671e-01 -9.690242671e-01 3.86 -9.328323151e-01 -9.328323151e-01 3.88 -8.985490221e-01 -8.985490221e-01 3.90 -8.660268352e-01 -8.660268352e-01 3.92 -8.351261168e-01 -8.351261168e-01 3.94 -8.057177043e-01 -8.057177043e-01 3.96 -7.776808207e-01 -7.776808207e-01 3.98 -7.509050156e-01 -7.509050156e-01 4.00 -7.252895198e-01 -7.252895198e-01 4.02 -7.007428718e-01 -7.007428718e-01 4.04 -6.771824082e-01 -6.771824082e-01 4.06 -6.545336845e-01 -6.545336845e-01 4.08 -6.327298822e-01 -6.327298822e-01 4.10 -6.117098764e-01 -6.117098764e-01 4.12 -5.914234465e-01 -5.914234465e-01 4.14 -5.718218357e-01 -5.718218357e-01 4.16 -5.528637071e-01 -5.528637071e-01 4.18 -5.345131618e-01 -5.345131618e-01 4.20 -5.167394717e-01 -5.167394717e-01 4.22 -4.995168163e-01 -4.995168163e-01 4.24 -4.828239868e-01 -4.828239868e-01 4.26 -4.666440176e-01 -4.666440176e-01 4.28 -4.509637110e-01 -4.509637110e-01 4.30 -4.357730344e-01 -4.357730344e-01 4.32 -4.210643897e-01 -4.210643897e-01 4.34 -4.068317862e-01 -4.068317862e-01 4.36 -3.930699613e-01 -3.930699613e-01 4.38 -3.797735184e-01 -3.797735184e-01 4.40 -3.669361503e-01 -3.669361503e-01 4.42 -3.545500230e-01 -3.545500230e-01 4.44 -3.426053657e-01 -3.426053657e-01 4.46 -3.310902754e-01 -3.310902754e-01 4.48 -3.199901614e-01 -3.199901614e-01 4.50 -3.092892371e-01 -3.092892371e-01 4.52 -2.989705021e-01 -2.989705021e-01 4.54 -2.890155844e-01 -2.890155844e-01 4.56 -2.794052399e-01 -2.794052399e-01 4.58 -2.701198187e-01 -2.701198187e-01 4.60 -2.611396691e-01 -2.611396691e-01 4.62 -2.524454728e-01 -2.524454728e-01 4.64 -2.440185085e-01 -2.440185085e-01 4.66 -2.358408548e-01 -2.358408548e-01 4.68 -2.278955449e-01 -2.278955449e-01 4.70 -2.201666882e-01 -2.201666882e-01 4.72 -2.126395715e-01 -2.126395715e-01 4.74 -2.053007526e-01 -2.053007526e-01 4.76 -1.981381542e-01 -1.981381542e-01 4.78 -1.911411614e-01 -1.911411614e-01 4.80 -1.842999281e-01 -1.842999281e-01 4.82 -1.776087930e-01 -1.776087930e-01 4.84 -1.710611905e-01 -1.710611905e-01 4.86 -1.646533378e-01 -1.646533378e-01 4.88 -1.583833211e-01 -1.583833211e-01 4.90 -1.522510786e-01 -1.522510786e-01 4.92 -1.462583146e-01 -1.462583146e-01 4.94 -1.404083342e-01 -1.404083342e-01 4.96 -1.347057930e-01 -1.347057930e-01 4.98 -1.291563653e-01 -1.291563653e-01 5.00 -1.237663473e-01 -1.237663473e-01 5.02 -1.185422166e-01 -1.185422166e-01 5.04 -1.134901817e-01 -1.134901817e-01 5.06 -1.086157563e-01 -1.086157563e-01 5.08 -1.039233929e-01 -1.039233929e-01 5.10 -9.941620480e-02 -9.941620480e-02 5.12 -9.509579365e-02 -9.509579365e-02 5.14 -9.096218916e-02 -9.096218916e-02 5.16 -8.701389306e-02 -8.701389306e-02 5.18 -8.324800993e-02 -8.324800993e-02 5.20 -7.966044001e-02 -7.966044001e-02 5.22 -7.624610598e-02 -7.624610598e-02 5.24 -7.299918732e-02 -7.299918732e-02 5.26 -6.991332216e-02 -6.991332216e-02 5.28 -6.698172833e-02 -6.698172833e-02 5.30 -6.419756902e-02 -6.419756902e-02 5.32 -6.155395221e-02 -6.155395221e-02 5.34 -5.904397661e-02 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-2.096007103e-02 -2.096007103e-02 5.88 -1.997926490e-02 -1.997926490e-02 5.90 -1.901168437e-02 -1.901168437e-02 5.92 -1.805724168e-02 -1.805724168e-02 5.94 -1.711619948e-02 -1.711619948e-02 5.96 -1.618910079e-02 -1.618910079e-02 5.98 -1.527693210e-02 -1.527693210e-02 6.00 -1.438102355e-02 -1.438102355e-02