# 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 = AgAu2Mg # 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 3.662052855e+02 3.662052855e+02 1.30 3.393904484e+02 3.393904484e+02 1.32 3.145704575e+02 3.145704575e+02 1.34 2.915848745e+02 2.915848745e+02 1.36 2.702876714e+02 2.702876714e+02 1.38 2.505458859e+02 2.505458859e+02 1.40 2.322381406e+02 2.322381406e+02 1.42 2.152532575e+02 2.152532575e+02 1.44 1.994892618e+02 1.994892618e+02 1.46 1.848526161e+02 1.848526161e+02 1.48 1.712575092e+02 1.712575092e+02 1.50 1.586252842e+02 1.586252842e+02 1.52 1.468839536e+02 1.468839536e+02 1.54 1.359675631e+02 1.359675631e+02 1.56 1.258153903e+02 1.258153903e+02 1.58 1.163711969e+02 1.163711969e+02 1.60 1.075827430e+02 1.075827430e+02 1.62 9.940154827e+01 9.940154827e+01 1.64 9.178275846e+01 9.178275846e+01 1.66 8.468500064e+01 8.468500064e+01 1.68 7.807856746e+01 7.807856746e+01 1.70 7.194848158e+01 7.194848158e+01 1.72 6.626123409e+01 6.626123409e+01 1.74 6.098564687e+01 6.098564687e+01 1.76 5.609215192e+01 5.609215192e+01 1.78 5.155350553e+01 5.155350553e+01 1.80 4.734446386e+01 4.734446386e+01 1.82 4.344153030e+01 4.344153030e+01 1.84 3.982282704e+01 3.982282704e+01 1.86 3.646805121e+01 3.646805121e+01 1.88 3.335843401e+01 3.335843401e+01 1.90 3.047665232e+01 3.047665232e+01 1.92 2.780668711e+01 2.780668711e+01 1.94 2.533365000e+01 2.533365000e+01 1.96 2.304362412e+01 2.304362412e+01 1.98 2.092355341e+01 2.092355341e+01 2.00 1.896119936e+01 1.896119936e+01 2.02 1.714514418e+01 1.714514418e+01 2.04 1.546479991e+01 1.546479991e+01 2.06 1.391039036e+01 1.391039036e+01 2.08 1.247289959e+01 1.247289959e+01 2.10 1.114400211e+01 1.114400211e+01 2.12 9.915990213e+00 9.915990213e+00 2.14 8.781710854e+00 8.781710854e+00 2.16 7.734514000e+00 7.734514000e+00 2.18 6.768211798e+00 6.768211798e+00 2.20 5.877048478e+00 5.877048478e+00 2.22 5.055676430e+00 5.055676430e+00 2.24 4.299137514e+00 4.299137514e+00 2.26 3.602845651e+00 3.602845651e+00 2.28 2.962567134e+00 2.962567134e+00 2.30 2.374398410e+00 2.374398410e+00 2.32 1.834738472e+00 1.834738472e+00 2.34 1.340259240e+00 1.340259240e+00 2.36 8.878754419e-01 8.878754419e-01 2.38 4.747160945e-01 4.747160945e-01 2.40 9.809892047e-02 9.809892047e-02 2.42 -2.444923347e-01 -2.444923347e-01 2.44 -5.554267205e-01 -5.554267205e-01 2.46 -8.369428883e-01 -8.369428883e-01 2.48 -1.091162922e+00 -1.091162922e+00 2.50 -1.320103949e+00 -1.320103949e+00 2.52 -1.525687618e+00 -1.525687618e+00 2.54 -1.709747555e+00 -1.709747555e+00 2.56 -1.874034416e+00 -1.874034416e+00 2.58 -2.020217347e+00 -2.020217347e+00 2.60 -2.149879947e+00 -2.149879947e+00 2.62 -2.264633721e+00 -2.264633721e+00 2.64 -2.365852783e+00 -2.365852783e+00 2.66 -2.454604010e+00 -2.454604010e+00 2.68 -2.531865334e+00 -2.531865334e+00 2.70 -2.598515942e+00 -2.598515942e+00 2.72 -2.655338620e+00 -2.655338620e+00 2.74 -2.703031120e+00 -2.703031120e+00 2.76 -2.742221588e+00 -2.742221588e+00 2.78 -2.773475555e+00 -2.773475555e+00 2.80 -2.797307147e+00 -2.797307147e+00 2.82 -2.814200685e+00 -2.814200685e+00 2.84 -2.824617495e+00 -2.824617495e+00 2.86 -2.829066953e+00 -2.829066953e+00 2.88 -2.827987411e+00 -2.827987411e+00 2.90 -2.821684869e+00 -2.821684869e+00 2.92 -2.810473583e+00 -2.810473583e+00 2.94 -2.794676384e+00 -2.794676384e+00 2.96 -2.774625931e+00 -2.774625931e+00 2.98 -2.750666818e+00 -2.750666818e+00 3.00 -2.723157400e+00 -2.723157400e+00 3.02 -2.692471547e+00 -2.692471547e+00 3.04 -2.659000933e+00 -2.659000933e+00 3.06 -2.623142332e+00 -2.623142332e+00 3.08 -2.585284104e+00 -2.585284104e+00 3.10 -2.545794859e+00 -2.545794859e+00 3.12 -2.505011283e+00 -2.505011283e+00 3.14 -2.463229791e+00 -2.463229791e+00 3.16 -2.420700617e+00 -2.420700617e+00 3.18 -2.377628831e+00 -2.377628831e+00 3.20 -2.334178375e+00 -2.334178375e+00 3.22 -2.290478986e+00 -2.290478986e+00 3.24 -2.246634111e+00 -2.246634111e+00 3.26 -2.202733886e+00 -2.202733886e+00 3.28 -2.158864378e+00 -2.158864378e+00 3.30 -2.115074090e+00 -2.115074090e+00 3.32 -2.071407751e+00 -2.071407751e+00 3.34 -2.027910322e+00 -2.027910322e+00 3.36 -1.984627045e+00 -1.984627045e+00 3.38 -1.941603051e+00 -1.941603051e+00 3.40 -1.898882833e+00 -1.898882833e+00 3.42 -1.856509739e+00 -1.856509739e+00 3.44 -1.814513758e+00 -1.814513758e+00 3.46 -1.772904691e+00 -1.772904691e+00 3.48 -1.731695175e+00 -1.731695175e+00 3.50 -1.690901774e+00 -1.690901774e+00 3.52 -1.650543729e+00 -1.650543729e+00 3.54 -1.610641783e+00 -1.610641783e+00 3.56 -1.571217123e+00 -1.571217123e+00 3.58 -1.532290461e+00 -1.532290461e+00 3.60 -1.493881267e+00 -1.493881267e+00 3.62 -1.456007171e+00 -1.456007171e+00 3.64 -1.418683509e+00 -1.418683509e+00 3.66 -1.381923039e+00 -1.381923039e+00 3.68 -1.345735795e+00 -1.345735795e+00 3.70 -1.310129076e+00 -1.310129076e+00 3.72 -1.275107575e+00 -1.275107575e+00 3.74 -1.240673610e+00 -1.240673610e+00 3.76 -1.206827459e+00 -1.206827459e+00 3.78 -1.173567757e+00 -1.173567757e+00 3.80 -1.140891921e+00 -1.140891921e+00 3.82 -1.108796556e+00 -1.108796556e+00 3.84 -1.077277796e+00 -1.077277796e+00 3.86 -1.046331532e+00 -1.046331532e+00 3.88 -1.015953505e+00 -1.015953505e+00 3.90 -9.861392722e-01 -9.861392722e-01 3.92 -9.568839643e-01 -9.568839643e-01 3.94 -9.281824796e-01 -9.281824796e-01 3.96 -9.000286458e-01 -9.000286458e-01 3.98 -8.724155106e-01 -8.724155106e-01 4.00 -8.453351535e-01 -8.453351535e-01 4.02 -8.187787301e-01 -8.187787301e-01 4.04 -7.927366347e-01 -7.927366347e-01 4.06 -7.671987858e-01 -7.671987858e-01 4.08 -7.421550272e-01 -7.421550272e-01 4.10 -7.175953580e-01 -7.175953580e-01 4.12 -6.935117284e-01 -6.935117284e-01 4.14 -6.698968512e-01 -6.698968512e-01 4.16 -6.467462543e-01 -6.467462543e-01 4.18 -6.240586417e-01 -6.240586417e-01 4.20 -6.018365209e-01 -6.018365209e-01 4.22 -5.800866554e-01 -5.800866554e-01 4.24 -5.588202461e-01 -5.588202461e-01 4.26 -5.380527520e-01 -5.380527520e-01 4.28 -5.178032884e-01 -5.178032884e-01 4.30 -4.980935833e-01 -4.980935833e-01 4.32 -4.789465358e-01 -4.789465358e-01 4.34 -4.603844836e-01 -4.603844836e-01 4.36 -4.424273441e-01 -4.424273441e-01 4.38 -4.250908266e-01 -4.250908266e-01 4.40 -4.083849124e-01 -4.083849124e-01 4.42 -3.923127637e-01 -3.923127637e-01 4.44 -3.768701571e-01 -3.768701571e-01 4.46 -3.620454629e-01 -3.620454629e-01 4.48 -3.478201170e-01 -3.478201170e-01 4.50 -3.341694786e-01 -3.341694786e-01 4.52 -3.210639406e-01 -3.210639406e-01 4.54 -3.084701549e-01 -3.084701549e-01 4.56 -2.963522576e-01 -2.963522576e-01 4.58 -2.846730070e-01 -2.846730070e-01 4.60 -2.733947829e-01 -2.733947829e-01 4.62 -2.624804301e-01 -2.624804301e-01 4.64 -2.518939487e-01 -2.518939487e-01 4.66 -2.416010566e-01 -2.416010566e-01 4.68 -2.315696528e-01 -2.315696528e-01 4.70 -2.217702165e-01 -2.217702165e-01 4.72 -2.121761716e-01 -2.121761716e-01 4.74 -2.027642394e-01 -2.027642394e-01 4.76 -1.935147944e-01 -1.935147944e-01 4.78 -1.844122249e-01 -1.844122249e-01 4.80 -1.754450964e-01 -1.754450964e-01 4.82 -1.666072899e-01 -1.666072899e-01 4.84 -1.578970030e-01 -1.578970030e-01 4.86 -1.493178068e-01 -1.493178068e-01 4.88 -1.408784286e-01 -1.408784286e-01 4.90 -1.325925702e-01 -1.325925702e-01 4.92 -1.244784902e-01 -1.244784902e-01 4.94 -1.165583252e-01 -1.165583252e-01 4.96 -1.088571530e-01 -1.088571530e-01 4.98 -1.014018281e-01 -1.014018281e-01 5.00 -9.421965117e-02 -9.421965117e-02 5.02 -8.733696114e-02 -8.733696114e-02 5.04 -8.077775502e-02 -8.077775502e-02 5.06 -7.456244547e-02 -7.456244547e-02 5.08 -6.870685362e-02 -6.870685362e-02 5.10 -6.322151503e-02 -6.322151503e-02 5.12 -5.811131996e-02 -5.811131996e-02 5.14 -5.337550881e-02 -5.337550881e-02 5.16 -4.900799653e-02 -4.900799653e-02 5.18 -4.499794091e-02 -4.499794091e-02 5.20 -4.133043679e-02 -4.133043679e-02 5.22 -3.798667819e-02 -3.798667819e-02 5.24 -3.494672466e-02 -3.494672466e-02 5.26 -3.218937749e-02 -3.218937749e-02 5.28 -2.969245334e-02 -2.969245334e-02 5.30 -2.743362049e-02 -2.743362049e-02 5.32 -2.539119511e-02 -2.539119511e-02 5.34 -2.354436254e-02 -2.354436254e-02 5.36 -2.187351080e-02 -2.187351080e-02 5.38 -2.036044882e-02 -2.036044882e-02 5.40 -1.898852350e-02 -1.898852350e-02 5.42 -1.774263130e-02 -1.774263130e-02 5.44 -1.660919117e-02 -1.660919117e-02 5.46 -1.557616264e-02 -1.557616264e-02 5.48 -1.463286898e-02 -1.463286898e-02 5.50 -1.376987009e-02 -1.376987009e-02 5.52 -1.297882974e-02 -1.297882974e-02 5.54 -1.225238241e-02 -1.225238241e-02 5.56 -1.158400648e-02 -1.158400648e-02 5.58 -1.096790835e-02 -1.096790835e-02 5.60 -1.039892049e-02 -1.039892049e-02 5.62 -9.872414393e-03 -9.872414393e-03 5.64 -9.384228158e-03 -9.384228158e-03 5.66 -8.930607353e-03 -8.930607353e-03 5.68 -8.508157154e-03 -8.508157154e-03 5.70 -8.113803524e-03 -8.113803524e-03 5.72 -7.744761295e-03 -7.744761295e-03 5.74 -7.398507262e-03 -7.398507262e-03 5.76 -7.072756805e-03 -7.072756805e-03 5.78 -6.765442964e-03 -6.765442964e-03 5.80 -6.474697272e-03 -6.474697272e-03 5.82 -6.198831949e-03 -6.198831949e-03 5.84 -5.936323275e-03 -5.936323275e-03 5.86 -5.685796152e-03 -5.685796152e-03 5.88 -5.446009880e-03 -5.446009880e-03 5.90 -5.215845285e-03 -5.215845285e-03 5.92 -4.994293285e-03 -4.994293285e-03 5.94 -4.780445004e-03 -4.780445004e-03 5.96 -4.573483487e-03 -4.573483487e-03 5.98 -4.372677064e-03 -4.372677064e-03 6.00 -4.177374346e-03 -4.177374346e-03