# 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 = AgPd3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 3.518506785e+02 nan nan 1.16 3.239308388e+02 nan nan 1.18 2.982501428e+02 nan nan 1.20 2.746111896e+02 nan nan 1.22 2.528373181e+02 nan nan 1.24 2.327692516e+02 nan nan 1.26 2.142615569e+02 nan nan 1.28 1.971812320e+02 3.053661670e+02 3.498061587e+02 1.30 1.814081380e+02 2.830293313e+02 3.248765925e+02 1.32 1.668345642e+02 2.623216017e+02 3.017386398e+02 1.34 1.533631766e+02 2.431137073e+02 2.802506685e+02 1.36 1.409050630e+02 2.252869250e+02 2.602848009e+02 1.38 1.293789647e+02 2.087324575e+02 2.417248533e+02 1.40 1.187108762e+02 1.933514190e+02 2.244648334e+02 1.42 1.088330411e+02 1.790543160e+02 2.084075422e+02 1.44 9.968261808e+01 1.657598491e+02 1.934631435e+02 1.46 9.120091273e+01 1.533937407e+02 1.795482217e+02 1.48 8.333347430e+01 1.418877879e+02 1.665854764e+02 1.50 7.603056283e+01 1.311788276e+02 1.545037284e+02 1.52 6.924853944e+01 1.212077582e+02 1.432378184e+02 1.54 6.299235964e+01 1.119191077e+02 1.327280913e+02 1.56 5.724418195e+01 1.032612059e+02 1.229196166e+02 1.58 5.196369032e+01 9.518653781e+01 1.137616181e+02 1.60 4.711378787e+01 8.765185152e+01 1.052072551e+02 1.62 4.266016111e+01 8.061788710e+01 9.721347285e+01 1.64 3.857114660e+01 7.404891038e+01 8.974072277e+01 1.66 3.481770799e+01 6.791509970e+01 8.275263964e+01 1.68 3.137332042e+01 6.222814470e+01 7.621575405e+01 1.70 2.821370063e+01 5.697004272e+01 7.009917839e+01 1.72 2.531644460e+01 5.210888686e+01 6.439749728e+01 1.74 2.266068634e+01 4.761475721e+01 5.911323594e+01 1.76 2.022687152e+01 4.345959526e+01 5.421619762e+01 1.78 1.799668673e+01 3.961732230e+01 4.967816622e+01 1.80 1.595312689e+01 3.606400384e+01 4.547317761e+01 1.82 1.408061846e+01 3.277788854e+01 4.157728584e+01 1.84 1.236508288e+01 2.973927601e+01 3.796828504e+01 1.86 1.079387230e+01 2.693026011e+01 3.462550060e+01 1.88 9.355603104e+00 2.433443315e+01 3.152969600e+01 1.90 8.039963582e+00 2.193663060e+01 2.866303542e+01 1.92 6.837555089e+00 1.972275709e+01 2.600901857e+01 1.94 5.739780493e+00 1.767968808e+01 2.355236522e+01 1.96 4.738763104e+00 1.579521185e+01 2.127888506e+01 1.98 3.827273775e+00 1.405797448e+01 1.917537389e+01 2.00 2.998651982e+00 1.245740782e+01 1.722955101e+01 2.02 2.246718373e+00 1.098364528e+01 1.543002763e+01 2.04 1.565687582e+00 9.627444200e+00 1.376628510e+01 2.06 9.500973598e-01 8.380131069e+00 1.222864331e+01 2.08 3.947678738e-01 7.233573828e+00 1.080820879e+01 2.10 -1.052067442e-01 6.180174515e+00 9.496802315e+00 2.12 -5.544456492e-01 5.212871092e+00 8.286875645e+00 2.14 -9.572631256e-01 4.325137684e+00 7.171431996e+00 2.16 -1.317655550e+00 3.510976065e+00 6.143963860e+00 2.18 -1.639295675e+00 2.764896351e+00 5.198411306e+00 2.20 -1.925532565e+00 2.081889013e+00 4.329131490e+00 2.22 -2.179396948e+00 1.457391566e+00 3.530866164e+00 2.24 -2.403614208e+00 8.872521337e-01 2.798702083e+00 2.26 -2.600627136e+00 3.676904559e-01 2.128030447e+00 2.28 -2.772628020e+00 -1.047439821e-01 1.514514811e+00 2.30 -2.921596600e+00 -5.332169143e-01 9.540710010e-01 2.32 -3.049338923e+00 -9.206567086e-01 4.428548088e-01 2.34 -3.157522262e+00 -1.269802038e+00 -2.274921341e-02 2.36 -3.247702246e+00 -1.583246093e+00 -4.461409092e-01 2.38 -3.321454706e+00 -1.863473097e+00 -8.305170688e-01 2.40 -3.381297911e+00 -2.112884364e+00 -1.178878120e+00 2.42 -3.428198136e+00 -2.333814219e+00 -1.494025987e+00 2.44 -3.462708940e+00 -2.528538438e+00 -1.778555516e+00 2.46 -3.485441464e+00 -2.699277054e+00 -2.034846142e+00 2.48 -3.497061119e+00 -2.848189548e+00 -2.265060297e+00 2.50 -3.498296684e+00 -2.977357608e+00 -2.471151040e+00 2.52 -3.489953557e+00 -3.088753299e+00 -2.654876920e+00 2.54 -3.472999937e+00 -3.184198438e+00 -2.817820331e+00 2.56 -3.448596501e+00 -3.265328203e+00 -2.961406577e+00 2.58 -3.417899093e+00 -3.333572105e+00 -3.086923061e+00 2.60 -3.382083491e+00 -3.390784208e+00 -3.195539496e+00 2.62 -3.341995892e+00 -3.438503498e+00 -3.288330409e+00 2.64 -3.298305935e+00 -3.477044493e+00 -3.366300702e+00 2.66 -3.251564917e+00 -3.506725784e+00 -3.430413970e+00 2.68 -3.202217171e+00 -3.527880414e+00 -3.482280622e+00 2.70 -3.150622462e+00 -3.540850417e+00 -3.523276255e+00 2.72 -3.097081059e+00 -3.545981986e+00 -3.553869278e+00 2.74 -3.041859773e+00 -3.543623143e+00 -3.574658120e+00 2.76 -2.985211981e+00 -3.534159851e+00 -3.586350460e+00 2.78 -2.927377904e+00 -3.518088838e+00 -3.589726363e+00 2.80 -2.868588223e+00 -3.495912482e+00 -3.585592233e+00 2.82 -2.809064810e+00 -3.468199350e+00 -3.574735170e+00 2.84 -2.749018998e+00 -3.435435751e+00 -3.557927727e+00 2.86 -2.688649112e+00 -3.398037857e+00 -3.535972204e+00 2.88 -2.628138348e+00 -3.356462684e+00 -3.509586494e+00 2.90 -2.567653247e+00 -3.311205439e+00 -3.479445637e+00 2.92 -2.507342592e+00 -3.262789019e+00 -3.445965761e+00 2.94 -2.447336534e+00 -3.211745668e+00 -3.409477841e+00 2.96 -2.387746047e+00 -3.158593484e+00 -3.370270929e+00 2.98 -2.328663029e+00 -3.103813522e+00 -3.328598422e+00 3.00 -2.270161330e+00 -3.047836175e+00 -3.284683636e+00 3.02 -2.212298747e+00 -2.991026044e+00 -3.238725271e+00 3.04 -2.155119812e+00 -2.933677977e+00 -3.190902734e+00 3.06 -2.098659010e+00 -2.876023881e+00 -3.141382396e+00 3.08 -2.042944047e+00 -2.818243491e+00 -3.090325169e+00 3.10 -1.987998829e+00 -2.760475767e+00 -3.037883766e+00 3.12 -1.933845886e+00 -2.702828757e+00 -2.984203214e+00 3.14 -1.880508064e+00 -2.645387144e+00 -2.929422137e+00 3.16 -1.828009389e+00 -2.588217726e+00 -2.873673633e+00 3.18 -1.776375111e+00 -2.531373494e+00 -2.817086141e+00 3.20 -1.725631042e+00 -2.474896920e+00 -2.759784572e+00 3.22 -1.675802366e+00 -2.418822853e+00 -2.701891906e+00 3.24 -1.626912197e+00 -2.363181138e+00 -2.643531291e+00 3.26 -1.578980108e+00 -2.307998986e+00 -2.584828535e+00 3.28 -1.532020883e+00 -2.253302994e+00 -2.525914665e+00 3.30 -1.486043646e+00 -2.199120757e+00 -2.466928086e+00 3.32 -1.441051456e+00 -2.145482010e+00 -2.408015701e+00 3.34 -1.397041394e+00 -2.092419253e+00 -2.349332416e+00 3.36 -1.354005084e+00 -2.039967868e+00 -2.291038592e+00 3.38 -1.311929543e+00 -1.988165755e+00 -2.233295467e+00 3.40 -1.270798233e+00 -1.937052567e+00 -2.176259019e+00 3.42 -1.230592149e+00 -1.886668649e+00 -2.120073279e+00 3.44 -1.191290815e+00 -1.837053819e+00 -2.064864254e+00 3.46 -1.152873040e+00 -1.788246099e+00 -2.010735560e+00 3.48 -1.115317395e+00 -1.740280519e+00 -1.957766370e+00 3.50 -1.078602357e+00 -1.693188064e+00 -1.906011688e+00 3.52 -1.042706173e+00 -1.646994806e+00 -1.855504459e+00 3.54 -1.007606503e+00 -1.601721241e+00 -1.806258693e+00 3.56 -9.732799549e-01 -1.557381826e+00 -1.758272872e+00 3.58 -9.397016357e-01 -1.513984694e+00 -1.711533025e+00 3.60 -9.068448226e-01 -1.471531542e+00 -1.666015236e+00 3.62 -8.746808734e-01 -1.430017653e+00 -1.621687577e+00 3.64 -8.431794593e-01 -1.389432070e+00 -1.578511605e+00 3.66 -8.123091865e-01 -1.349757900e+00 -1.536443636e+00 3.68 -7.820386467e-01 -1.310972759e+00 -1.495435960e+00 3.70 -7.523379036e-01 -1.273049363e+00 -1.455438104e+00 3.72 -7.231803779e-01 -1.235956256e+00 -1.416398171e+00 3.74 -6.945450382e-01 -1.199658670e+00 -1.378264257e+00 3.76 -6.664187346e-01 -1.164119497e+00 -1.340985876e+00 3.78 -6.387984305e-01 -1.129300324e+00 -1.304515341e+00 3.80 -6.116930145e-01 -1.095162500e+00 -1.268809023e+00 3.82 -5.851243279e-01 -1.061668173e+00 -1.233828389e+00 3.84 -5.591270498e-01 -1.028781268e+00 -1.199540766e+00 3.86 -5.337471699e-01 -9.964683628e-01 -1.165919771e+00 3.88 -5.090389594e-01 -9.646994615e-01 -1.132945366e+00 3.90 -4.850605997e-01 -9.334486814e-01 -1.100603568e+00 3.92 -4.618689047e-01 -9.026948776e-01 -1.068885828e+00 3.94 -4.395137988e-01 -8.724222499e-01 -1.037788184e+00 3.96 -4.180333102e-01 -8.426209517e-01 -1.007310224e+00 3.98 -3.974497910e-01 -8.132877130e-01 -9.774539986e-01 4.00 -3.777678546e-01 -7.844264313e-01 -9.482229419e-01 4.02 -3.589742173e-01 -7.560486458e-01 -9.196208705e-01 4.04 -3.410393181e-01 -7.281737637e-01 -8.916511171e-01 4.06 -3.239203407e-01 -7.008288826e-01 -8.643158204e-01 4.08 -3.075651284e-01 -6.740480548e-01 -8.376153802e-01 4.10 -2.919164607e-01 -6.478708923e-01 -8.115480711e-01 4.12 -2.769162243e-01 -6.223405070e-01 -7.861097952e-01 4.14 -2.625091221e-01 -5.975008661e-01 -7.612939520e-01 4.16 -2.486456744e-01 -5.733938266e-01 -7.370913984e-01 4.18 -2.352843723e-01 -5.500561393e-01 -7.134904769e-01 4.20 -2.223929198e-01 -5.275167839e-01 -6.904770877e-01 4.22 -2.099485699e-01 -5.057949420e-01 -6.680347898e-01 4.24 -1.979376115e-01 -4.848988114e-01 -6.461449173e-01 4.26 -1.863541404e-01 -4.648253178e-01 -6.247867024e-01 4.28 -1.751982884e-01 -4.455606401e-01 -6.039374010e-01 4.30 -1.644741468e-01 -4.270813574e-01 -5.835724211e-01 4.32 -1.541876383e-01 -4.093559727e-01 -5.636654561e-01 4.34 -1.443445823e-01 -3.923465776e-01 -5.441886303e-01 4.36 -1.349491477e-01 -3.760104699e-01 -5.251126664e-01 4.38 -1.260028064e-01 -3.603016076e-01 -5.064070854e-01 4.40 -1.175037968e-01 -3.451718580e-01 -4.880404562e-01 4.42 -1.094470400e-01 -3.305720524e-01 -4.699807094e-01 4.44 -1.018243736e-01 -3.164528946e-01 -4.521955355e-01 4.46 -9.462496268e-02 -3.027657827e-01 -4.346528845e-01 4.48 -8.783575935e-02 -2.894635978e-01 -4.173215861e-01 4.50 -8.144192386e-02 -2.765014999e-01 -4.001721018e-01 4.52 -7.542718066e-02 -2.638377548e-01 -3.831774168e-01 4.54 -6.977411703e-02 -2.514345969e-01 -3.663140779e-01 4.56 -6.446423287e-02 -2.392591175e-01 -3.495633280e-01 4.58 -5.947865190e-02 -2.272841528e-01 -3.329123413e-01 4.60 -5.479861029e-02 -2.154891319e-01 -3.163554629e-01 4.62 -5.040540996e-02 -2.038608287e-01 -2.998953781e-01 4.64 -4.628095718e-02 -1.923939488e-01 -2.835440968e-01 4.66 -4.240828012e-02 -1.810914733e-01 -2.673236226e-01 4.68 -3.877197229e-02 -1.699646772e-01 -2.512661725e-01 4.70 -3.535851869e-02 -1.590327517e-01 -2.354138254e-01 4.72 -3.215647640e-02 -1.483219818e-01 -2.198175163e-01 4.74 -2.915647121e-02 -1.378644712e-01 -2.045353501e-01 4.76 -2.635101368e-02 -1.276964569e-01 -1.896302902e-01 4.78 -2.373416923e-02 -1.178563094e-01 -1.751673583e-01 4.80 -2.130111679e-02 -1.083823656e-01 -1.612105613e-01 4.82 -1.904765004e-02 -9.931078014e-02 -1.478198119e-01 4.84 -1.696953950e-02 -9.067356688e-02 -1.350481235e-01 4.86 -1.506227057e-02 -8.249701754e-02 -1.229393300e-01 4.88 -1.332090384e-02 -7.480060156e-02 -1.115265132e-01 4.90 -1.173956113e-02 -6.759640044e-02 -1.008312223e-01 4.92 -1.031134059e-02 -6.088907999e-02 -9.086347254e-02 4.94 -9.028353001e-03 -5.467631410e-02 -8.162241642e-02 4.96 -7.881854315e-03 -4.894954471e-02 -7.309752157e-02 4.98 -6.862445100e-03 -4.369495492e-02 -6.527006307e-02 5.00 -5.960306244e-03 -3.889452407e-02 -5.811473946e-02 5.02 -5.165443074e-03 -3.452706501e-02 -5.160124265e-02 5.04 -4.467915673e-03 -3.056894360e-02 -4.569571425e-02 5.06 -3.858039963e-03 -2.699523269e-02 -4.036198481e-02 5.08 -3.326550825e-03 -2.378064605e-02 -3.556260257e-02 5.10 -2.864724208e-03 -2.089953144e-02 -3.125938938e-02 5.12 -2.464459453e-03 -1.832632825e-02 -2.741461830e-02 5.14 -2.118325968e-03 -1.603577002e-02 -2.399132125e-02 5.16 -1.819579882e-03 -1.400347222e-02 -2.095340667e-02 5.18 -1.562156892e-03 -1.220607944e-02 -1.826582397e-02 5.20 -1.340647319e-03 -1.062128258e-02 -1.589550814e-02 5.22 -1.150258779e-03 -9.227960102e-03 -1.381115113e-02 5.24 -9.867710539e-04 -8.006283352e-03 -1.198328412e-02 5.26 -8.464868447e-04 -6.937788661e-03 -1.038441455e-02 5.28 -7.261812161e-04 -6.005417974e-03 -8.989107572e-03 5.30 -6.230518140e-04 -5.193530050e-03 -7.774017266e-03 5.32 -5.346712677e-04 -4.487884945e-03 -6.717873457e-03 5.34 -4.589426924e-04 -3.875605311e-03 -5.801430743e-03 5.36 -3.940588076e-04 -3.345118636e-03 -5.007386803e-03 5.38 -3.384648916e-04 -2.886084821e-03 -4.320277257e-03 5.40 -2.908255832e-04 -2.489313461e-03 -3.726354070e-03 5.42 -2.499954005e-04 -2.146674887e-03 -3.213453893e-03 5.44 -2.149927556e-04 -1.851008477e-03 -2.770861855e-03 5.46 -1.849771895e-04 -1.596031206e-03 -2.389175349e-03 5.48 -1.592295312e-04 -1.376248699e-03 -2.060171366e-03 5.50 -1.371346778e-04 -1.186870499e-03 -1.776679979e-03 5.52 -1.181667025e-04 -1.023730712e-03 -1.532465761e-03 5.54 -1.018760133e-04 -8.832147077e-04 -1.322117704e-03 5.56 -8.787830556e-05 -7.621922297e-04 -1.140951296e-03 5.58 -7.584507930e-05 -6.579569430e-04 -9.849148134e-04 5.60 -6.549551033e-05 -5.681722733e-04 -8.505105614e-04 5.62 -5.658949276e-05 -4.908232220e-04 -7.347221826e-04 5.64 -4.892168975e-05 -4.241737628e-04 -6.349509016e-04 5.66 -4.231645082e-05 -3.667293675e-04 -5.489594404e-04 5.68 -3.662347220e-05 -3.172041906e-04 -4.748229038e-04 5.70 -3.171409332e-05 -2.744924405e-04 -4.108859290e-04 5.72 -2.747813735e-05 -2.376434844e-04 -3.557254211e-04 5.74 -2.382121624e-05 -2.058402581e-04 -3.081182352e-04 5.76 -2.066243233e-05 -1.783805840e-04 -2.670132120e-04 5.78 -1.793241809e-05 -1.546610386e-04 -2.315070266e-04 5.80 -1.557166417e-05 -1.341630417e-04 -2.008233662e-04 5.82 -1.352909310e-05 -1.164408792e-04 -1.742949992e-04 5.84 -1.176084232e-05 -1.011114005e-04 -1.513483527e-04 5.86 -1.022922559e-05 -8.784516487e-05 -1.314902585e-04 5.88 -8.901846241e-06 -7.635883828e-05 -1.142965706e-04 5.90 -7.750839961e-06 -6.640866701e-05 -9.940239550e-05 5.92 -6.752227814e-06 -5.778487847e-05 -8.649370990e-05 5.94 -5.885363321e-06 -5.030687834e-05 -7.530017048e-05 5.96 -5.132459670e-06 -4.381913165e-05 -6.558894791e-05 5.98 -4.478185278e-06 -3.818763063e-05 -5.715943908e-05 6.00 -3.909317667e-06 -3.329686581e-05 -4.983873269e-05