# 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 = Al2AuCu # 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 1.346222274e+02 1.346222274e+02 1.30 1.248734499e+02 1.248734499e+02 1.32 1.158289721e+02 1.158289721e+02 1.34 1.074345041e+02 1.074345041e+02 1.36 9.963919986e+01 9.963919986e+01 1.38 9.239570799e+01 9.239570799e+01 1.40 8.566019156e+01 8.566019156e+01 1.42 7.939217997e+01 7.939217997e+01 1.44 7.355444328e+01 7.355444328e+01 1.46 6.811310921e+01 6.811310921e+01 1.48 6.303789825e+01 6.303789825e+01 1.50 5.830203380e+01 5.830203380e+01 1.52 5.388162120e+01 5.388162120e+01 1.54 4.975475978e+01 4.975475978e+01 1.56 4.590079053e+01 4.590079053e+01 1.58 4.229994302e+01 4.229994302e+01 1.60 3.893820634e+01 3.893820634e+01 1.62 3.580729219e+01 3.580729219e+01 1.64 3.289049520e+01 3.289049520e+01 1.66 3.017277069e+01 3.017277069e+01 1.68 2.764350421e+01 2.764350421e+01 1.70 2.529171350e+01 2.529171350e+01 1.72 2.310600949e+01 2.310600949e+01 1.74 2.107569845e+01 2.107569845e+01 1.76 1.919050129e+01 1.919050129e+01 1.78 1.744039036e+01 1.744039036e+01 1.80 1.581561985e+01 1.581561985e+01 1.82 1.430690776e+01 1.430690776e+01 1.84 1.290563273e+01 1.290563273e+01 1.86 1.160392864e+01 1.160392864e+01 1.88 1.039464873e+01 1.039464873e+01 1.90 9.271244450e+00 9.271244450e+00 1.92 8.227630938e+00 8.227630938e+00 1.94 7.258101252e+00 7.258101252e+00 1.96 6.357315320e+00 6.357315320e+00 1.98 5.520341848e+00 5.520341848e+00 2.00 4.742703770e+00 4.742703770e+00 2.02 4.020387650e+00 4.020387650e+00 2.04 3.349805933e+00 3.349805933e+00 2.06 2.727721928e+00 2.727721928e+00 2.08 2.151157543e+00 2.151157543e+00 2.10 1.617307710e+00 1.617307710e+00 2.12 1.123480915e+00 1.123480915e+00 2.14 6.670732573e-01 6.670732573e-01 2.16 2.455715678e-01 2.455715678e-01 2.18 -1.434253336e-01 -1.434253336e-01 2.20 -5.021796078e-01 -5.021796078e-01 2.22 -8.327926871e-01 -8.327926871e-01 2.24 -1.137195895e+00 -1.137195895e+00 2.26 -1.417154320e+00 -1.417154320e+00 2.28 -1.674279214e+00 -1.674279214e+00 2.30 -1.910041726e+00 -1.910041726e+00 2.32 -2.125782549e+00 -2.125782549e+00 2.34 -2.322715860e+00 -2.322715860e+00 2.36 -2.501931115e+00 -2.501931115e+00 2.38 -2.664398973e+00 -2.664398973e+00 2.40 -2.810986997e+00 -2.810986997e+00 2.42 -2.942486320e+00 -2.942486320e+00 2.44 -3.059645080e+00 -3.059645080e+00 2.46 -3.163201479e+00 -3.163201479e+00 2.48 -3.253909907e+00 -3.253909907e+00 2.50 -3.332557037e+00 -3.332557037e+00 2.52 -3.399969095e+00 -3.399969095e+00 2.54 -3.457014232e+00 -3.457014232e+00 2.56 -3.504603089e+00 -3.504603089e+00 2.58 -3.543686286e+00 -3.543686286e+00 2.60 -3.575242925e+00 -3.575242925e+00 2.62 -3.600302360e+00 -3.600302360e+00 2.64 -3.619961371e+00 -3.619961371e+00 2.66 -3.635059422e+00 -3.635059422e+00 2.68 -3.646402397e+00 -3.646402397e+00 2.70 -3.655348759e+00 -3.655348759e+00 2.72 -3.661734825e+00 -3.661734825e+00 2.74 -3.665323564e+00 -3.665323564e+00 2.76 -3.665908919e+00 -3.665908919e+00 2.78 -3.663310319e+00 -3.663310319e+00 2.80 -3.657369892e+00 -3.657369892e+00 2.82 -3.647965883e+00 -3.647965883e+00 2.84 -3.635001658e+00 -3.635001658e+00 2.86 -3.618407654e+00 -3.618407654e+00 2.88 -3.598160207e+00 -3.598160207e+00 2.90 -3.574266366e+00 -3.574266366e+00 2.92 -3.546764153e+00 -3.546764153e+00 2.94 -3.515729893e+00 -3.515729893e+00 2.96 -3.481286225e+00 -3.481286225e+00 2.98 -3.443610284e+00 -3.443610284e+00 3.00 -3.402940475e+00 -3.402940475e+00 3.02 -3.359579284e+00 -3.359579284e+00 3.04 -3.313889311e+00 -3.313889311e+00 3.06 -3.266280525e+00 -3.266280525e+00 3.08 -3.217188613e+00 -3.217188613e+00 3.10 -3.167047316e+00 -3.167047316e+00 3.12 -3.116259537e+00 -3.116259537e+00 3.14 -3.065172921e+00 -3.065172921e+00 3.16 -3.014064050e+00 -3.014064050e+00 3.18 -2.963133174e+00 -2.963133174e+00 3.20 -2.912508291e+00 -2.912508291e+00 3.22 -2.862255830e+00 -2.862255830e+00 3.24 -2.812394602e+00 -2.812394602e+00 3.26 -2.762910176e+00 -2.762910176e+00 3.28 -2.713767841e+00 -2.713767841e+00 3.30 -2.664923253e+00 -2.664923253e+00 3.32 -2.616330608e+00 -2.616330608e+00 3.34 -2.567948544e+00 -2.567948544e+00 3.36 -2.519744125e+00 -2.519744125e+00 3.38 -2.471695267e+00 -2.471695267e+00 3.40 -2.423791890e+00 -2.423791890e+00 3.42 -2.376036054e+00 -2.376036054e+00 3.44 -2.328441216e+00 -2.328441216e+00 3.46 -2.281030870e+00 -2.281030870e+00 3.48 -2.233836693e+00 -2.233836693e+00 3.50 -2.186896409e+00 -2.186896409e+00 3.52 -2.140251546e+00 -2.140251546e+00 3.54 -2.093945268e+00 -2.093945268e+00 3.56 -2.048020406e+00 -2.048020406e+00 3.58 -2.002517802e+00 -2.002517802e+00 3.60 -1.957475036e+00 -1.957475036e+00 3.62 -1.912925553e+00 -1.912925553e+00 3.64 -1.868898202e+00 -1.868898202e+00 3.66 -1.825417157e+00 -1.825417157e+00 3.68 -1.782502169e+00 -1.782502169e+00 3.70 -1.740169100e+00 -1.740169100e+00 3.72 -1.698430636e+00 -1.698430636e+00 3.74 -1.657297090e+00 -1.657297090e+00 3.76 -1.616777162e+00 -1.616777162e+00 3.78 -1.576878529e+00 -1.576878529e+00 3.80 -1.537608138e+00 -1.537608138e+00 3.82 -1.498972116e+00 -1.498972116e+00 3.84 -1.460975259e+00 -1.460975259e+00 3.86 -1.423620168e+00 -1.423620168e+00 3.88 -1.386906144e+00 -1.386906144e+00 3.90 -1.350828057e+00 -1.350828057e+00 3.92 -1.315375365e+00 -1.315375365e+00 3.94 -1.280531526e+00 -1.280531526e+00 3.96 -1.246273789e+00 -1.246273789e+00 3.98 -1.212573532e+00 -1.212573532e+00 4.00 -1.179396999e+00 -1.179396999e+00 4.02 -1.146706379e+00 -1.146706379e+00 4.04 -1.114461129e+00 -1.114461129e+00 4.06 -1.082619459e+00 -1.082619459e+00 4.08 -1.051139942e+00 -1.051139942e+00 4.10 -1.019983216e+00 -1.019983216e+00 4.12 -9.891138938e-01 -9.891138938e-01 4.14 -9.585023925e-01 -9.585023925e-01 4.16 -9.281270427e-01 -9.281270427e-01 4.18 -8.979760956e-01 -8.979760956e-01 4.20 -8.680496180e-01 -8.680496180e-01 4.22 -8.383610556e-01 -8.383610556e-01 4.24 -8.089382358e-01 -8.089382358e-01 4.26 -7.798235677e-01 -7.798235677e-01 4.28 -7.510732430e-01 -7.510732430e-01 4.30 -7.227553301e-01 -7.227553301e-01 4.32 -6.949467871e-01 -6.949467871e-01 4.34 -6.677295735e-01 -6.677295735e-01 4.36 -6.411861793e-01 -6.411861793e-01 4.38 -6.153949827e-01 -6.153949827e-01 4.40 -5.904258726e-01 -5.904258726e-01 4.42 -5.663365208e-01 -5.663365208e-01 4.44 -5.431695797e-01 -5.431695797e-01 4.46 -5.209509490e-01 -5.209509490e-01 4.48 -4.996891176e-01 -4.996891176e-01 4.50 -4.793754868e-01 -4.793754868e-01 4.52 -4.599855079e-01 -4.599855079e-01 4.54 -4.414804394e-01 -4.414804394e-01 4.56 -4.238095239e-01 -4.238095239e-01 4.58 -4.069123979e-01 -4.069123979e-01 4.60 -3.907215775e-01 -3.907215775e-01 4.62 -3.751648938e-01 -3.751648938e-01 4.64 -3.601677880e-01 -3.601677880e-01 4.66 -3.456554131e-01 -3.456554131e-01 4.68 -3.315545233e-01 -3.315545233e-01 4.70 -3.177951566e-01 -3.177951566e-01 4.72 -3.043121391e-01 -3.043121391e-01 4.74 -2.910464445e-01 -2.910464445e-01 4.76 -2.779464424e-01 -2.779464424e-01 4.78 -2.649690570e-01 -2.649690570e-01 4.80 -2.520808253e-01 -2.520808253e-01 4.82 -2.392589011e-01 -2.392589011e-01 4.84 -2.264917728e-01 -2.264917728e-01 4.86 -2.137798636e-01 -2.137798636e-01 4.88 -2.011357291e-01 -2.011357291e-01 4.90 -1.885838382e-01 -1.885838382e-01 4.92 -1.761598217e-01 -1.761598217e-01 4.94 -1.639091434e-01 -1.639091434e-01 4.96 -1.518851892e-01 -1.518851892e-01 4.98 -1.401468300e-01 -1.401468300e-01 5.00 -1.287555780e-01 -1.287555780e-01 5.02 -1.177725470e-01 -1.177725470e-01 5.04 -1.072554221e-01 -1.072554221e-01 5.06 -9.725567855e-02 -9.725567855e-02 5.08 -8.781626755e-02 -8.781626755e-02 5.10 -7.896983454e-02 -7.896983454e-02 5.12 -7.073761450e-02 -7.073761450e-02 5.14 -6.312996646e-02 -6.312996646e-02 5.16 -5.614623373e-02 -5.614623373e-02 5.18 -4.977566408e-02 -4.977566408e-02 5.20 -4.399880074e-02 -4.399880074e-02 5.22 -3.878910518e-02 -3.878910518e-02 5.24 -3.411466108e-02 -3.411466108e-02 5.26 -2.993983400e-02 -2.993983400e-02 5.28 -2.622679373e-02 -2.622679373e-02 5.30 -2.293683583e-02 -2.293683583e-02 5.32 -2.003147882e-02 -2.003147882e-02 5.34 -1.747332631e-02 -1.747332631e-02 5.36 -1.522670330e-02 -1.522670330e-02 5.38 -1.325778049e-02 -1.325778049e-02 5.40 -1.153555039e-02 -1.153555039e-02 5.42 -1.003176297e-02 -1.003176297e-02 5.44 -8.720646602e-03 -8.720646602e-03 5.46 -7.578905849e-03 -7.578905849e-03 5.48 -6.585643615e-03 -6.585643615e-03 5.50 -5.722233109e-03 -5.722233109e-03 5.52 -4.972159306e-03 -4.972159306e-03 5.54 -4.320844674e-03 -4.320844674e-03 5.56 -3.755469871e-03 -3.755469871e-03 5.58 -3.264796921e-03 -3.264796921e-03 5.60 -2.838999883e-03 -2.838999883e-03 5.62 -2.469506127e-03 -2.469506127e-03 5.64 -2.148849968e-03 -2.148849968e-03 5.66 -1.870539378e-03 -1.870539378e-03 5.68 -1.628935836e-03 -1.628935836e-03 5.70 -1.419146879e-03 -1.419146879e-03 5.72 -1.236930652e-03 -1.236930652e-03 5.74 -1.078611566e-03 -1.078611566e-03 5.76 -9.410060975e-04 -9.410060975e-04 5.78 -8.213577624e-04 -8.213577624e-04 5.80 -7.172802853e-04 -7.172802853e-04 5.82 -6.267080686e-04 -6.267080686e-04 5.84 -5.478531060e-04 -5.478531060e-04 5.86 -4.791675686e-04 -4.791675686e-04 5.88 -4.193113604e-04 -4.193113604e-04 5.90 -3.671240156e-04 -3.671240156e-04 5.92 -3.216003772e-04 -3.216003772e-04 5.94 -2.818695651e-04 -2.818695651e-04 5.96 -2.471767955e-04 -2.471767955e-04 5.98 -2.168676742e-04 -2.168676742e-04 6.00 -1.903746287e-04 -1.903746287e-04