# 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 = AuMoPd2 # 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 3.537701020e+02 3.537701020e+02 1.30 3.282627795e+02 3.282627795e+02 1.32 3.045851982e+02 3.045851982e+02 1.34 2.826020865e+02 2.826020865e+02 1.36 2.621935631e+02 2.621935631e+02 1.38 2.432499624e+02 2.432499624e+02 1.40 2.256675169e+02 2.256675169e+02 1.42 2.093457818e+02 2.093457818e+02 1.44 1.941873222e+02 1.941873222e+02 1.46 1.800992536e+02 1.800992536e+02 1.48 1.669951235e+02 1.669951235e+02 1.50 1.547958117e+02 1.547958117e+02 1.52 1.434293829e+02 1.434293829e+02 1.54 1.328305437e+02 1.328305437e+02 1.56 1.229400835e+02 1.229400835e+02 1.58 1.137043030e+02 1.137043030e+02 1.60 1.050744037e+02 1.050744037e+02 1.62 9.700590613e+01 9.700590613e+01 1.64 8.945820298e+01 8.945820298e+01 1.66 8.239430456e+01 8.239430456e+01 1.68 7.578069741e+01 7.578069741e+01 1.70 6.958714794e+01 6.958714794e+01 1.72 6.378637452e+01 6.378637452e+01 1.74 5.835638417e+01 5.835638417e+01 1.76 5.328734976e+01 5.328734976e+01 1.78 4.858040728e+01 4.858040728e+01 1.80 4.423099467e+01 4.423099467e+01 1.82 4.021553595e+01 4.021553595e+01 1.84 3.651148088e+01 3.651148088e+01 1.86 3.309708452e+01 3.309708452e+01 1.88 2.995133140e+01 2.995133140e+01 1.90 2.705399123e+01 2.705399123e+01 1.92 2.438577329e+01 2.438577329e+01 1.94 2.192852256e+01 2.192852256e+01 1.96 1.966538727e+01 1.966538727e+01 1.98 1.758089895e+01 1.758089895e+01 2.00 1.566094178e+01 1.566094178e+01 2.02 1.389263048e+01 1.389263048e+01 2.04 1.226414488e+01 1.226414488e+01 2.06 1.076457113e+01 1.076457113e+01 2.08 9.383781184e+00 9.383781184e+00 2.10 8.112361611e+00 8.112361611e+00 2.12 6.941586772e+00 6.941586772e+00 2.14 5.863421216e+00 5.863421216e+00 2.16 4.870530091e+00 4.870530091e+00 2.18 3.956277706e+00 3.956277706e+00 2.20 3.114702688e+00 3.114702688e+00 2.22 2.340468911e+00 2.340468911e+00 2.24 1.628799062e+00 1.628799062e+00 2.26 9.754001926e-01 9.754001926e-01 2.28 3.763891521e-01 3.763891521e-01 2.30 -1.717771173e-01 -1.717771173e-01 2.32 -6.723640467e-01 -6.723640467e-01 2.34 -1.128413646e+00 -1.128413646e+00 2.36 -1.542789812e+00 -1.542789812e+00 2.38 -1.918214077e+00 -1.918214077e+00 2.40 -2.257291522e+00 -2.257291522e+00 2.42 -2.562527675e+00 -2.562527675e+00 2.44 -2.836330714e+00 -2.836330714e+00 2.46 -3.080887372e+00 -3.080887372e+00 2.48 -3.298521782e+00 -3.298521782e+00 2.50 -3.491532180e+00 -3.491532180e+00 2.52 -3.662064856e+00 -3.662064856e+00 2.54 -3.812093181e+00 -3.812093181e+00 2.56 -3.943401075e+00 -3.943401075e+00 2.58 -4.057578592e+00 -4.057578592e+00 2.60 -4.156009810e+00 -4.156009810e+00 2.62 -4.239747469e+00 -4.239747469e+00 2.64 -4.309677061e+00 -4.309677061e+00 2.66 -4.366627929e+00 -4.366627929e+00 2.68 -4.411375755e+00 -4.411375755e+00 2.70 -4.444645084e+00 -4.444645084e+00 2.72 -4.467142198e+00 -4.467142198e+00 2.74 -4.479580959e+00 -4.479580959e+00 2.76 -4.483037618e+00 -4.483037618e+00 2.78 -4.478008782e+00 -4.478008782e+00 2.80 -4.464658837e+00 -4.464658837e+00 2.82 -4.443211389e+00 -4.443211389e+00 2.84 -4.413945707e+00 -4.413945707e+00 2.86 -4.377195024e+00 -4.377195024e+00 2.88 -4.333336525e+00 -4.333336525e+00 2.90 -4.282799564e+00 -4.282799564e+00 2.92 -4.226098845e+00 -4.226098845e+00 2.94 -4.163870884e+00 -4.163870884e+00 2.96 -4.096779795e+00 -4.096779795e+00 2.98 -4.025487294e+00 -4.025487294e+00 3.00 -3.950636659e+00 -3.950636659e+00 3.02 -3.872837554e+00 -3.872837554e+00 3.04 -3.792653231e+00 -3.792653231e+00 3.06 -3.710590645e+00 -3.710590645e+00 3.08 -3.627093463e+00 -3.627093463e+00 3.10 -3.542537948e+00 -3.542537948e+00 3.12 -3.457231961e+00 -3.457231961e+00 3.14 -3.371417407e+00 -3.371417407e+00 3.16 -3.285276206e+00 -3.285276206e+00 3.18 -3.198939436e+00 -3.198939436e+00 3.20 -3.112498771e+00 -3.112498771e+00 3.22 -3.026019133e+00 -3.026019133e+00 3.24 -2.939551506e+00 -2.939551506e+00 3.26 -2.853145044e+00 -2.853145044e+00 3.28 -2.766857835e+00 -2.766857835e+00 3.30 -2.680765904e+00 -2.680765904e+00 3.32 -2.594970084e+00 -2.594970084e+00 3.34 -2.509600483e+00 -2.509600483e+00 3.36 -2.424818279e+00 -2.424818279e+00 3.38 -2.340814655e+00 -2.340814655e+00 3.40 -2.257806866e+00 -2.257806866e+00 3.42 -2.176031614e+00 -2.176031614e+00 3.44 -2.095736201e+00 -2.095736201e+00 3.46 -2.017168179e+00 -2.017168179e+00 3.48 -1.940564421e+00 -1.940564421e+00 3.50 -1.866140626e+00 -1.866140626e+00 3.52 -1.794082210e+00 -1.794082210e+00 3.54 -1.724537361e+00 -1.724537361e+00 3.56 -1.657612720e+00 -1.657612720e+00 3.58 -1.593371827e+00 -1.593371827e+00 3.60 -1.531836163e+00 -1.531836163e+00 3.62 -1.472988333e+00 -1.472988333e+00 3.64 -1.416776839e+00 -1.416776839e+00 3.66 -1.363121798e+00 -1.363121798e+00 3.68 -1.311921037e+00 -1.311921037e+00 3.70 -1.263056082e+00 -1.263056082e+00 3.72 -1.216397696e+00 -1.216397696e+00 3.74 -1.171810741e+00 -1.171810741e+00 3.76 -1.129158262e+00 -1.129158262e+00 3.78 -1.088304782e+00 -1.088304782e+00 3.80 -1.049118847e+00 -1.049118847e+00 3.82 -1.011474911e+00 -1.011474911e+00 3.84 -9.752546673e-01 -9.752546673e-01 3.86 -9.403479319e-01 -9.403479319e-01 3.88 -9.066531952e-01 -9.066531952e-01 3.90 -8.740779423e-01 -8.740779423e-01 3.92 -8.425388315e-01 -8.425388315e-01 3.94 -8.119618063e-01 -8.119618063e-01 3.96 -7.822821804e-01 -7.822821804e-01 3.98 -7.534447262e-01 -7.534447262e-01 4.00 -7.254037408e-01 -7.254037408e-01 4.02 -6.981230444e-01 -6.981230444e-01 4.04 -6.715758280e-01 -6.715758280e-01 4.06 -6.457442578e-01 -6.457442578e-01 4.08 -6.206187411e-01 -6.206187411e-01 4.10 -5.961967954e-01 -5.961967954e-01 4.12 -5.724815238e-01 -5.724815238e-01 4.14 -5.494797442e-01 -5.494797442e-01 4.16 -5.271999460e-01 -5.271999460e-01 4.18 -5.056502428e-01 -5.056502428e-01 4.20 -4.848365376e-01 -4.848365376e-01 4.22 -4.647610716e-01 -4.647610716e-01 4.24 -4.454214561e-01 -4.454214561e-01 4.26 -4.268102005e-01 -4.268102005e-01 4.28 -4.089146642e-01 -4.089146642e-01 4.30 -3.917173099e-01 -3.917173099e-01 4.32 -3.751961220e-01 -3.751961220e-01 4.34 -3.593250796e-01 -3.593250796e-01 4.36 -3.440746144e-01 -3.440746144e-01 4.38 -3.294120422e-01 -3.294120422e-01 4.40 -3.153019880e-01 -3.153019880e-01 4.42 -3.017068495e-01 -3.017068495e-01 4.44 -2.885873412e-01 -2.885873412e-01 4.46 -2.759031464e-01 -2.759031464e-01 4.48 -2.636136845e-01 -2.636136845e-01 4.50 -2.516789799e-01 -2.516789799e-01 4.52 -2.400606070e-01 -2.400606070e-01 4.54 -2.287226779e-01 -2.287226779e-01 4.56 -2.176328342e-01 -2.176328342e-01 4.58 -2.067632083e-01 -2.067632083e-01 4.60 -1.960913101e-01 -1.960913101e-01 4.62 -1.856007969e-01 -1.856007969e-01 4.64 -1.752820721e-01 -1.752820721e-01 4.66 -1.651326574e-01 -1.651326574e-01 4.68 -1.551572778e-01 -1.551572778e-01 4.70 -1.453676091e-01 -1.453676091e-01 4.72 -1.357816532e-01 -1.357816532e-01 4.74 -1.264227372e-01 -1.264227372e-01 4.76 -1.173181727e-01 -1.173181727e-01 4.78 -1.084976520e-01 -1.084976520e-01 4.80 -9.999149960e-02 -9.999149960e-02 4.82 -9.182892505e-02 -9.182892505e-02 4.84 -8.403641564e-02 -8.403641564e-02 4.86 -7.663641249e-02 -7.663641249e-02 4.88 -6.964635141e-02 -6.964635141e-02 4.90 -6.307812823e-02 -6.307812823e-02 4.92 -5.693795382e-02 -5.693795382e-02 4.94 -5.122656015e-02 -5.122656015e-02 4.96 -4.593965713e-02 -4.593965713e-02 4.98 -4.106857327e-02 -4.106857327e-02 5.00 -3.660095918e-02 -3.660095918e-02 5.02 -3.252148442e-02 -3.252148442e-02 5.04 -2.881219869e-02 -2.881219869e-02 5.06 -2.545355430e-02 -2.545355430e-02 5.08 -2.242525761e-02 -2.242525761e-02 5.10 -1.970593064e-02 -1.970593064e-02 5.12 -1.727370176e-02 -1.727370176e-02 5.14 -1.510669487e-02 -1.510669487e-02 5.16 -1.318317438e-02 -1.318317438e-02 5.18 -1.148183561e-02 -1.148183561e-02 5.20 -9.982054698e-03 -9.982054698e-03 5.22 -8.664097665e-03 -8.664097665e-03 5.24 -7.509287485e-03 -7.509287485e-03 5.26 -6.500128644e-03 -6.500128644e-03 5.28 -5.620389920e-03 -5.620389920e-03 5.30 -4.855147879e-03 -4.855147879e-03 5.32 -4.190795130e-03 -4.190795130e-03 5.34 -3.615018557e-03 -3.615018557e-03 5.36 -3.116753313e-03 -3.116753313e-03 5.38 -2.686118480e-03 -2.686118480e-03 5.40 -2.314339955e-03 -2.314339955e-03 5.42 -1.993665519e-03 -1.993665519e-03 5.44 -1.717276251e-03 -1.717276251e-03 5.46 -1.479197659e-03 -1.479197659e-03 5.48 -1.274213068e-03 -1.274213068e-03 5.50 -1.097781104e-03 -1.097781104e-03 5.52 -9.459584990e-04 -9.459584990e-04 5.54 -8.153289298e-04 -8.153289298e-04 5.56 -7.029382110e-04 -7.029382110e-04 5.58 -6.062358782e-04 -6.062358782e-04 5.60 -5.230229727e-04 -5.230229727e-04 5.62 -4.514057038e-04 -4.514057038e-04 5.64 -3.897545755e-04 -3.897545755e-04 5.66 -3.366685169e-04 -3.366685169e-04 5.68 -2.909435386e-04 -2.909435386e-04 5.70 -2.515454469e-04 -2.515454469e-04 5.72 -2.175861603e-04 -2.175861603e-04 5.74 -1.883032092e-04 -1.883032092e-04 5.76 -1.630420284e-04 -1.630420284e-04 5.78 -1.412406892e-04 -1.412406892e-04 5.80 -1.224167568e-04 -1.224167568e-04 5.82 -1.061559898e-04 -1.061559898e-04 5.84 -9.210263348e-05 -9.210263348e-05 5.86 -7.995108982e-05 -7.995108982e-05 5.88 -6.943877234e-05 -6.943877234e-05 5.90 -6.033998100e-05 -6.033998100e-05 5.92 -5.246065291e-05 -5.246065291e-05 5.94 -4.563386485e-05 -4.563386485e-05 5.96 -3.971598032e-05 -3.971598032e-05 5.98 -3.458334899e-05 -3.458334899e-05 6.00 -3.012947914e-05 -3.012947914e-05