# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1996--Farkas-D-Jones-C--Nb-Ti-Al # implementation = EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000 # composition = AlTi3 # 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 2022-05-24 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 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 nan nan nan 1.22 nan nan nan 1.24 nan nan nan 1.26 nan nan nan 1.28 nan nan nan 1.30 nan nan nan 1.32 nan nan nan 1.34 nan nan nan 1.36 nan nan nan 1.38 nan nan nan 1.40 nan nan nan 1.42 nan nan nan 1.44 nan nan nan 1.46 nan nan nan 1.48 nan nan nan 1.50 nan nan nan 1.52 nan nan nan 1.54 nan nan nan 1.56 nan nan nan 1.58 nan nan nan 1.60 nan nan nan 1.62 nan nan nan 1.64 nan nan nan 1.66 nan nan nan 1.68 nan nan nan 1.70 8.724423391e+02 nan nan 1.72 5.543698586e+02 nan nan 1.74 3.362742446e+02 nan nan 1.76 1.921769021e+02 nan nan 1.78 1.016170650e+02 nan nan 1.80 4.859294985e+01 nan nan 1.82 2.070180831e+01 nan nan 1.84 8.432938700e+00 nan nan 1.86 4.585397536e+00 7.550378801e+02 nan 1.88 3.801836403e+00 4.919745164e+02 nan 1.90 3.263345731e+00 3.074207156e+02 8.987368935e+02 1.92 2.736100440e+00 1.821983946e+02 6.017476592e+02 1.94 2.221601585e+00 1.009118828e+02 3.889698561e+02 1.96 1.720960423e+00 5.127705235e+01 2.406814712e+02 1.98 1.238822672e+00 2.356566211e+01 1.409117092e+02 2.00 7.786218758e-01 1.014388047e+01 7.689973425e+01 2.02 3.409989106e-01 5.087057637e+00 3.849929937e+01 2.04 -7.360253891e-02 3.860672310e+00 1.766726750e+01 2.06 -4.645511160e-01 3.354342363e+00 8.078856875e+00 2.08 -8.321647798e-01 2.857884137e+00 4.808521078e+00 2.10 -1.180670217e+00 2.371470567e+00 4.065797435e+00 2.12 -1.510667942e+00 1.898832850e+00 3.597467224e+00 2.14 -1.822045537e+00 1.442187155e+00 3.137251637e+00 2.16 -2.114733246e+00 1.002403885e+00 2.684821964e+00 2.18 -2.388873499e+00 5.805061291e-01 2.240782641e+00 2.20 -2.644634616e+00 1.774750654e-01 1.806164694e+00 2.22 -2.882344643e+00 -2.058389098e-01 1.382272608e+00 2.24 -3.102115003e+00 -5.685549766e-01 9.708390000e-01 2.26 -3.304397127e+00 -9.100342437e-01 5.734208009e-01 2.28 -3.490090467e+00 -1.232977629e+00 1.908438552e-01 2.30 -3.660289313e+00 -1.537954675e+00 -1.760335072e-01 2.32 -3.813988272e+00 -1.824711040e+00 -5.267044996e-01 2.34 -3.949762479e+00 -2.093403324e+00 -8.640624691e-01 2.36 -4.068155083e+00 -2.344266061e+00 -1.189567083e+00 2.38 -4.170951620e+00 -2.577586989e+00 -1.501400586e+00 2.40 -4.258627316e+00 -2.793719731e+00 -1.798530259e+00 2.42 -4.331569549e+00 -2.993634445e+00 -2.080931596e+00 2.44 -4.390809654e+00 -3.178025316e+00 -2.348569384e+00 2.46 -4.438190839e+00 -3.347632327e+00 -2.601265241e+00 2.48 -4.475463923e+00 -3.503147338e+00 -2.838838789e+00 2.50 -4.503692866e+00 -3.645106803e+00 -3.060935595e+00 2.52 -4.523728433e+00 -3.774059095e+00 -3.267063185e+00 2.54 -4.536212350e+00 -3.891119093e+00 -3.457121975e+00 2.56 -4.542056641e+00 -3.997113734e+00 -3.631328621e+00 2.58 -4.542025622e+00 -4.093071808e+00 -3.790031911e+00 2.60 -4.536523906e+00 -4.179611539e+00 -3.933359487e+00 2.62 -4.526747690e+00 -4.256824252e+00 -4.061342635e+00 2.64 -4.513447407e+00 -4.324732974e+00 -4.174307445e+00 2.66 -4.496184104e+00 -4.383231378e+00 -4.273689914e+00 2.68 -4.474547337e+00 -4.432772486e+00 -4.359949474e+00 2.70 -4.448373708e+00 -4.474181062e+00 -4.433595249e+00 2.72 -4.417830522e+00 -4.508358043e+00 -4.495254477e+00 2.74 -4.383181493e+00 -4.536096610e+00 -4.545780722e+00 2.76 -4.344648874e+00 -4.557862941e+00 -4.586291309e+00 2.78 -4.302383209e+00 -4.572431285e+00 -4.617947990e+00 2.80 -4.256338183e+00 -4.580078059e+00 -4.641637353e+00 2.82 -4.206473637e+00 -4.581047365e+00 -4.658171457e+00 2.84 -4.152825196e+00 -4.575430207e+00 -4.667991821e+00 2.86 -4.096391207e+00 -4.563352489e+00 -4.671216224e+00 2.88 -4.037845593e+00 -4.544947168e+00 -4.668141333e+00 2.90 -3.977512710e+00 -4.520582392e+00 -4.658578575e+00 2.92 -3.915714331e+00 -4.491083805e+00 -4.642979355e+00 2.94 -3.852354356e+00 -4.457519660e+00 -4.622377375e+00 2.96 -3.786995297e+00 -4.420602157e+00 -4.597345550e+00 2.98 -3.719843294e+00 -4.380845098e+00 -4.568251323e+00 3.00 -3.651171867e+00 -4.338854917e+00 -4.535984108e+00 3.02 -3.581246274e+00 -4.294958867e+00 -4.501478854e+00 3.04 -3.510294162e+00 -4.249176552e+00 -4.465370349e+00 3.06 -3.438588637e+00 -4.201306999e+00 -4.427203481e+00 3.08 -3.366424081e+00 -4.151113183e+00 -4.385992357e+00 3.10 -3.294100348e+00 -4.098805507e+00 -4.341843923e+00 3.12 -3.221922073e+00 -4.045264343e+00 -4.294890445e+00 3.14 -3.150133785e+00 -3.990637308e+00 -4.245225484e+00 3.16 -3.078912833e+00 -3.935027005e+00 -4.192912294e+00 3.18 -3.008423667e+00 -3.878513546e+00 -4.138090820e+00 3.20 -2.938821955e+00 -3.821148748e+00 -4.081723441e+00 3.22 -2.870213391e+00 -3.762956727e+00 -4.024165047e+00 3.24 -2.802586914e+00 -3.703936804e+00 -3.965578229e+00 3.26 -2.736041160e+00 -3.644068651e+00 -3.906118706e+00 3.28 -2.670669823e+00 -3.583362436e+00 -3.845925593e+00 3.30 -2.606547244e+00 -3.521916962e+00 -3.785125387e+00 3.32 -2.543708506e+00 -3.459882476e+00 -3.723836938e+00 3.34 -2.482160389e+00 -3.397447045e+00 -3.662172029e+00 3.36 -2.421914538e+00 -3.334815139e+00 -3.600236072e+00 3.38 -2.362975813e+00 -3.272200812e+00 -3.538129775e+00 3.40 -2.305337517e+00 -3.209794226e+00 -3.475987451e+00 3.42 -2.249085168e+00 -3.147636653e+00 -3.413986117e+00 3.44 -2.194273823e+00 -3.085688402e+00 -3.352341047e+00 3.46 -2.140881377e+00 -3.024045322e+00 -3.291257492e+00 3.48 -2.088892178e+00 -2.962801311e+00 -3.230859652e+00 3.50 -2.038295570e+00 -2.902049922e+00 -3.171207764e+00 3.52 -1.989055739e+00 -2.841884637e+00 -3.112292407e+00 3.54 -1.940407866e+00 -2.782397063e+00 -3.054079624e+00 3.56 -1.888301726e+00 -2.723675179e+00 -2.996522508e+00 3.58 -1.833179284e+00 -2.665800354e+00 -2.939606457e+00 3.60 -1.775851953e+00 -2.608832578e+00 -2.883343803e+00 3.62 -1.717019857e+00 -2.552811440e+00 -2.827766368e+00 3.64 -1.657283164e+00 -2.497765804e+00 -2.772907289e+00 3.66 -1.597155012e+00 -2.443718662e+00 -2.718796224e+00 3.68 -1.537072880e+00 -2.390686854e+00 -2.665457465e+00 3.70 -1.477408548e+00 -2.338678532e+00 -2.612901916e+00 3.72 -1.418476668e+00 -2.287739754e+00 -2.561117450e+00 3.74 -1.360542386e+00 -2.237963782e+00 -2.510085894e+00 3.76 -1.303828056e+00 -2.189319813e+00 -2.459787210e+00 3.78 -1.248518883e+00 -2.141760416e+00 -2.410205666e+00 3.80 -1.194767975e+00 -2.095205571e+00 -2.361339184e+00 3.82 -1.142700916e+00 -2.049671411e+00 -2.313262790e+00 3.84 -1.092419383e+00 -2.002974484e+00 -2.266044219e+00 3.86 -1.043996421e+00 -1.953517022e+00 -2.219684679e+00 3.88 -9.974487439e-01 -1.901314984e+00 -2.174184481e+00 3.90 -9.527707588e-01 -1.847026809e+00 -2.129541396e+00 3.92 -9.099498721e-01 -1.791225312e+00 -2.085721090e+00 3.94 -8.689684436e-01 -1.734408845e+00 -2.042869736e+00 3.96 -8.298137591e-01 -1.677010526e+00 -1.997815388e+00 3.98 -7.924950108e-01 -1.619406149e+00 -1.949329951e+00 4.00 -7.569899007e-01 -1.561921531e+00 -1.898124957e+00 4.02 -7.232045399e-01 -1.504839544e+00 -1.844820721e+00 4.04 -6.910338079e-01 -1.448408051e+00 -1.789963506e+00 4.06 -6.603708468e-01 -1.392842177e+00 -1.734033566e+00 4.08 -6.311078845e-01 -1.338327611e+00 -1.677452288e+00 4.10 -6.031369340e-01 -1.285024516e+00 -1.620588500e+00 4.12 -5.763721355e-01 -1.233070944e+00 -1.563763949e+00 4.14 -5.507778814e-01 -1.182585898e+00 -1.507258119e+00 4.16 -5.263299139e-01 -1.133628425e+00 -1.451310918e+00 4.18 -5.030093739e-01 -1.086111873e+00 -1.396126077e+00 4.20 -4.807986211e-01 -1.040073857e+00 -1.341876149e+00 4.22 -4.596803264e-01 -9.955576989e-01 -1.288705462e+00 4.24 -4.396334833e-01 -9.525863913e-01 -1.236732560e+00 4.26 -4.206189866e-01 -9.111462604e-01 -1.186052434e+00 4.28 -4.026021318e-01 -8.712128820e-01 -1.136738377e+00 4.30 -3.853837303e-01 -8.327564548e-01 -1.088843490e+00 4.32 -3.685972559e-01 -7.957333896e-01 -1.042388210e+00 4.34 -3.521960300e-01 -7.600798839e-01 -9.973507725e-01 4.36 -3.361520235e-01 -7.257320692e-01 -9.536937264e-01 4.38 -3.204567930e-01 -6.926463590e-01 -9.113677673e-01 4.40 -3.051088545e-01 -6.607896808e-01 -8.703182090e-01 4.42 -2.901115700e-01 -6.301318954e-01 -8.305152124e-01 4.44 -2.754718471e-01 -6.006559631e-01 -7.919546072e-01 4.46 -2.611990076e-01 -5.723500189e-01 -7.546370375e-01 4.48 -2.473058166e-01 -5.452021569e-01 -7.185610929e-01 4.50 -2.338090014e-01 -5.191971141e-01 -6.837237579e-01 4.52 -2.207269056e-01 -4.943126567e-01 -6.501210183e-01 4.54 -2.080799787e-01 -4.705298036e-01 -6.177482033e-01 4.56 -1.958911976e-01 -4.478331749e-01 -5.866003994e-01 4.58 -1.841906551e-01 -4.261323915e-01 -5.566728285e-01 4.60 -1.730145427e-01 -4.052729677e-01 -5.279611142e-01 4.62 -1.623998146e-01 -3.852310351e-01 -5.004615805e-01 4.64 -1.523816199e-01 -3.659952905e-01 -4.741726054e-01 4.66 -1.429857696e-01 -3.475616495e-01 -4.490977388e-01 4.68 -1.342400796e-01 -3.299291444e-01 -4.252423201e-01 4.70 -1.261758832e-01 -3.130989225e-01 -4.026123832e-01 4.72 -1.188043688e-01 -2.970745145e-01 -3.812150245e-01 4.74 -1.118641385e-01 -2.818615125e-01 -3.610583644e-01 4.76 -1.052841583e-01 -2.674673183e-01 -3.421518373e-01 4.78 -9.907054406e-02 -2.539015995e-01 -3.245063452e-01 4.80 -9.322832189e-02 -2.411374371e-01 -3.080755767e-01 4.82 -8.774555297e-02 -2.289796201e-01 -2.925612013e-01 4.84 -8.263743372e-02 -2.174044658e-01 -2.779197744e-01 4.86 -7.793564520e-02 -2.064182138e-01 -2.641518175e-01 4.88 -7.366675223e-02 -1.960275461e-01 -2.512564163e-01 4.90 -6.984507970e-02 -1.862191691e-01 -2.392032448e-01 4.92 -6.647013017e-02 -1.769609974e-01 -2.279360005e-01 4.94 -6.348895466e-02 -1.682207984e-01 -2.173987735e-01 4.96 -6.081794745e-02 -1.599715967e-01 -2.075360765e-01 4.98 -5.837523654e-02 -1.521918724e-01 -1.982923302e-01 5.00 -5.608118931e-02 -1.448589147e-01 -1.896126019e-01 5.02 -5.385873060e-02 -1.379440872e-01 -1.814430793e-01 5.04 -5.166449272e-02 -1.314172617e-01 -1.737419444e-01 5.06 -4.947838830e-02 -1.252678317e-01 -1.664939634e-01 5.08 -4.727059193e-02 -1.194906564e-01 -1.596891104e-01 5.10 -4.503977758e-02 -1.140893711e-01 -1.533178977e-01 5.12 -4.279401145e-02 -1.090644610e-01 -1.473762509e-01 5.14 -4.054373692e-02 -1.044147732e-01 -1.418628255e-01 5.16 -3.830090762e-02 -1.001391947e-01 -1.367764457e-01 5.18 -3.603628391e-02 -9.623316093e-02 -1.321131630e-01 5.20 -3.376899547e-02 -9.267440101e-02 -1.278552241e-01 5.22 -3.154782061e-02 -8.946221151e-02 -1.239780757e-01 5.24 -2.941038917e-02 -8.659955352e-02 -1.204628804e-01 5.26 -2.738385018e-02 -8.408548981e-02 -1.172954066e-01 5.28 -2.548597419e-02 -8.188292942e-02 -1.144206330e-01 5.30 -2.372640396e-02 -7.981908115e-02 -1.115855726e-01 5.32 -2.210802742e-02 -7.785029242e-02 -1.087340378e-01 5.34 -2.062964950e-02 -7.594656855e-02 -1.058485384e-01 5.36 -1.928759752e-02 -7.406751718e-02 -1.029207279e-01 5.38 -1.807515770e-02 -7.217463572e-02 -9.993702339e-02 5.40 -1.698334366e-02 -7.024268561e-02 -9.688881479e-02 5.42 -1.600153927e-02 -6.825643405e-02 -9.379610622e-02 5.44 -1.511789859e-02 -6.620293450e-02 -9.067970145e-02 5.46 -1.431950857e-02 -6.407126585e-02 -8.756037010e-02 5.48 -1.359234408e-02 -6.185246296e-02 -8.445878091e-02 5.50 -1.292107057e-02 -5.954781139e-02 -8.139288738e-02 5.52 -1.228874809e-02 -5.717047349e-02 -7.834516967e-02 5.54 -1.167650004e-02 -5.472530853e-02 -7.528127916e-02 5.56 -1.106583563e-02 -5.221814945e-02 -7.217133050e-02 5.58 -1.045271457e-02 -4.965593415e-02 -6.899016392e-02 5.60 -9.839070819e-03 -4.704668341e-02 -6.571756150e-02 5.62 -9.226969895e-03 -4.439945312e-02 -6.234163916e-02 5.64 -8.618574452e-03 -4.172428805e-02 -5.888681558e-02 5.66 -8.016117865e-03 -3.903214365e-02 -5.537164774e-02 5.68 -7.421881451e-03 -3.633480460e-02 -5.181132309e-02 5.70 -6.838169837e-03 -3.363157228e-02 -4.822270685e-02 5.72 -6.267286530e-03 -3.091809934e-02 -4.462418942e-02 5.74 -5.711509895e-03 -2.822306309e-02 -4.103570865e-02 5.76 -5.173068026e-03 -2.557346554e-02 -3.747832182e-02 5.78 -4.654115765e-03 -2.299355037e-02 -3.395925995e-02 5.80 -4.156709626e-03 -2.050470707e-02 -3.047111929e-02 5.82 -3.682783752e-03 -1.812542951e-02 -2.706343759e-02 5.84 -3.234125319e-03 -1.587132399e-02 -2.378145074e-02 5.86 -2.812351150e-03 -1.375516925e-02 -2.066220470e-02 5.88 -2.418882130e-03 -1.178700653e-02 -1.773500147e-02 5.90 -2.054920190e-03 -9.974272577e-03 -1.502197027e-02 5.92 -1.721423532e-03 -8.321945859e-03 -1.253870243e-02 5.94 -1.419082194e-03 -6.832703593e-03 -1.029492768e-02 5.96 -1.148294246e-03 -5.507079759e-03 -8.295196937e-03 5.98 -9.091411255e-04 -4.343605861e-03 -6.539525462e-03 6.00 -7.013635699e-04 -3.338930879e-03 -5.023973470e-03