# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2003--Zope-R-R-Mishin-Y--Ti-Al # implementation = EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005 # composition = Al3Ti # 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 2.812642145e+02 nan nan 1.40 2.544964936e+02 nan nan 1.42 2.307928173e+02 nan nan 1.44 2.097696514e+02 nan nan 1.46 1.910944510e+02 nan nan 1.48 1.735021390e+02 nan nan 1.50 1.553650918e+02 2.861422937e+02 nan 1.52 1.379661382e+02 2.608657523e+02 3.132434643e+02 1.54 1.222518366e+02 2.382508709e+02 2.858427268e+02 1.56 1.082773702e+02 2.179980746e+02 2.612805198e+02 1.58 9.584834149e+01 1.998492055e+02 2.392417182e+02 1.60 8.479939243e+01 1.835784416e+02 2.194485452e+02 1.62 7.498609925e+01 1.677687964e+02 2.016561812e+02 1.64 6.627909191e+01 1.512171810e+02 1.855945449e+02 1.66 5.855869604e+01 1.352621826e+02 1.694571382e+02 1.68 5.171220955e+01 1.208416815e+02 1.532451813e+02 1.70 4.563614356e+01 1.079915196e+02 1.378502677e+02 1.72 4.023845065e+01 9.653248869e+01 1.238625402e+02 1.74 3.543857511e+01 8.630106956e+01 1.112840778e+02 1.76 3.116636214e+01 7.715145527e+01 9.996250221e+01 1.78 2.736053468e+01 6.895620777e+01 8.976596383e+01 1.80 2.396721872e+01 6.160735093e+01 8.057977179e+01 1.82 2.093871169e+01 5.501409813e+01 7.230288805e+01 1.84 1.823275874e+01 4.909823881e+01 6.484492127e+01 1.86 1.581211270e+01 4.379057961e+01 5.812415395e+01 1.88 1.364391721e+01 3.902820998e+01 5.206637946e+01 1.90 1.169920693e+01 3.475328651e+01 4.660429091e+01 1.92 9.952565624e+00 3.091300084e+01 4.167687716e+01 1.94 8.381885652e+00 2.745975290e+01 3.722893379e+01 1.96 6.968289550e+00 2.435111438e+01 3.321069069e+01 1.98 5.696002704e+00 2.154936244e+01 2.957751525e+01 2.00 4.552085650e+00 1.902095826e+01 2.628986782e+01 2.02 3.525797842e+00 1.673602331e+01 2.331323011e+01 2.04 2.607673581e+00 1.466802750e+01 2.061781332e+01 2.06 1.788775023e+00 1.279361953e+01 1.817785842e+01 2.08 1.060341646e+00 1.109255125e+01 1.597077491e+01 2.10 4.137326705e-01 9.547475368e+00 1.397611686e+01 2.12 -1.594176602e-01 8.143593538e+00 1.217484121e+01 2.14 -6.669556419e-01 6.868228999e+00 1.054901586e+01 2.16 -1.115988853e+00 5.710312507e+00 9.081799785e+00 2.18 -1.512838729e+00 4.659911771e+00 7.757565255e+00 2.20 -1.863156702e+00 3.707890800e+00 6.562126169e+00 2.22 -2.172026577e+00 2.845741037e+00 5.482727573e+00 2.24 -2.444072579e+00 2.065581190e+00 4.507866519e+00 2.26 -2.683480498e+00 1.360247180e+00 3.627164696e+00 2.28 -2.893991924e+00 7.232475117e-01 2.831180156e+00 2.30 -3.078883163e+00 1.487348757e-01 2.111230604e+00 2.32 -3.240929064e+00 -3.684902168e-01 1.459357527e+00 2.34 -3.382403447e+00 -8.330751049e-01 8.683640829e-01 2.36 -3.505159817e+00 -1.249204884e+00 3.318560254e-01 2.38 -3.610709839e+00 -1.620663542e+00 -1.557098653e-01 2.40 -3.700333187e+00 -1.950890933e+00 -5.990062268e-01 2.42 -3.775218208e+00 -2.243076892e+00 -1.001920185e+00 2.44 -3.836532416e+00 -2.500249987e+00 -1.367722825e+00 2.46 -3.885415298e+00 -2.725328320e+00 -1.699262048e+00 2.48 -3.922940719e+00 -2.921155674e+00 -1.999116899e+00 2.50 -3.950098293e+00 -3.090524404e+00 -2.269686478e+00 2.52 -3.967777571e+00 -3.236170865e+00 -2.513220151e+00 2.54 -3.976751699e+00 -3.360752219e+00 -2.731802452e+00 2.56 -3.977701868e+00 -3.466815721e+00 -2.927327529e+00 2.58 -3.971268558e+00 -3.556719961e+00 -3.101515429e+00 2.60 -3.958073044e+00 -3.632596692e+00 -3.255954701e+00 2.62 -3.938722661e+00 -3.696338893e+00 -3.392155426e+00 2.64 -3.913823668e+00 -3.749605629e+00 -3.511579683e+00 2.66 -3.883993532e+00 -3.793841018e+00 -3.615581256e+00 2.68 -3.849868547e+00 -3.830277425e+00 -3.705393861e+00 2.70 -3.812102956e+00 -3.859944763e+00 -3.782144245e+00 2.72 -3.771362532e+00 -3.883698216e+00 -3.846865345e+00 2.74 -3.728312508e+00 -3.902228207e+00 -3.900508370e+00 2.76 -3.683572323e+00 -3.916056787e+00 -3.943953854e+00 2.78 -3.637682644e+00 -3.925536166e+00 -3.978025675e+00 2.80 -3.591105164e+00 -3.930858492e+00 -4.003508685e+00 2.82 -3.544228965e+00 -3.932093434e+00 -4.021158491e+00 2.84 -3.497378035e+00 -3.929249362e+00 -4.031701700e+00 2.86 -3.450816562e+00 -3.922337961e+00 -4.035833726e+00 2.88 -3.404748940e+00 -3.911422615e+00 -4.034224808e+00 2.90 -3.359317294e+00 -3.896635964e+00 -4.027520953e+00 2.92 -3.314599503e+00 -3.878172584e+00 -4.016334210e+00 2.94 -3.270602551e+00 -3.856280103e+00 -4.001241722e+00 2.96 -3.227261598e+00 -3.831238961e+00 -3.982785103e+00 2.98 -3.184450972e+00 -3.803331638e+00 -3.961463855e+00 3.00 -3.142007101e+00 -3.772824666e+00 -3.937721303e+00 3.02 -3.099755914e+00 -3.739958572e+00 -3.911925271e+00 3.04 -3.057525809e+00 -3.704934828e+00 -3.884354746e+00 3.06 -3.015159596e+00 -3.667927201e+00 -3.855199424e+00 3.08 -2.972528040e+00 -3.629098338e+00 -3.824555669e+00 3.10 -2.929533966e+00 -3.588606285e+00 -3.792417492e+00 3.12 -2.886109611e+00 -3.546608496e+00 -3.758696847e+00 3.14 -2.842209781e+00 -3.503264332e+00 -3.723267072e+00 3.16 -2.797803952e+00 -3.458736300e+00 -3.686008641e+00 3.18 -2.752868663e+00 -3.413190928e+00 -3.646847101e+00 3.20 -2.707381102e+00 -3.366798720e+00 -3.605776036e+00 3.22 -2.661314270e+00 -3.319728607e+00 -3.562864441e+00 3.24 -2.614641726e+00 -3.272141407e+00 -3.518250651e+00 3.26 -2.567346613e+00 -3.224186578e+00 -3.472127592e+00 3.28 -2.519424436e+00 -3.176000805e+00 -3.424723667e+00 3.30 -2.470884577e+00 -3.127709131e+00 -3.376282288e+00 3.32 -2.421752353e+00 -3.079426417e+00 -3.327042141e+00 3.34 -2.372070435e+00 -3.031254369e+00 -3.277219153e+00 3.36 -2.321898404e+00 -2.983273572e+00 -3.226996538e+00 3.38 -2.271314617e+00 -2.935541892e+00 -3.176534419e+00 3.40 -2.220420860e+00 -2.888096117e+00 -3.125974294e+00 3.42 -2.169337847e+00 -2.840954892e+00 -3.075433406e+00 3.44 -2.118200500e+00 -2.794119956e+00 -3.025003323e+00 3.46 -2.067142426e+00 -2.747577479e+00 -2.974752189e+00 3.48 -2.016292812e+00 -2.701299378e+00 -2.924728075e+00 3.50 -1.965776063e+00 -2.655244999e+00 -2.874962725e+00 3.52 -1.915709310e+00 -2.609362930e+00 -2.825475265e+00 3.54 -1.866201126e+00 -2.563594506e+00 -2.776275942e+00 3.56 -1.817349511e+00 -2.517882590e+00 -2.727369474e+00 3.58 -1.769240672e+00 -2.472176581e+00 -2.678757815e+00 3.60 -1.721946995e+00 -2.426435404e+00 -2.630442268e+00 3.62 -1.675526793e+00 -2.380629466e+00 -2.582425875e+00 3.64 -1.630028501e+00 -2.334742324e+00 -2.534714705e+00 3.66 -1.585492589e+00 -2.288774767e+00 -2.487319299e+00 3.68 -1.541953023e+00 -2.242742355e+00 -2.440256097e+00 3.70 -1.499435344e+00 -2.196677022e+00 -2.393546894e+00 3.72 -1.457959298e+00 -2.150626386e+00 -2.347217910e+00 3.74 -1.417536229e+00 -2.104649434e+00 -2.301298719e+00 3.76 -1.378172273e+00 -2.058815405e+00 -2.255822139e+00 3.78 -1.339865677e+00 -2.013194843e+00 -2.210826595e+00 3.80 -1.302609996e+00 -1.967858149e+00 -2.166354141e+00 3.82 -1.266391445e+00 -1.922875834e+00 -2.122454463e+00 3.84 -1.231192193e+00 -1.878317782e+00 -2.079177504e+00 3.86 -1.196987550e+00 -1.834252602e+00 -2.036570590e+00 3.88 -1.163749732e+00 -1.790747045e+00 -1.994670031e+00 3.90 -1.131444314e+00 -1.747865077e+00 -1.953500503e+00 3.92 -1.100035219e+00 -1.705667113e+00 -1.913078305e+00 3.94 -1.069479878e+00 -1.664208890e+00 -1.873414250e+00 3.96 -1.039735822e+00 -1.623540465e+00 -1.834514565e+00 3.98 -1.010755026e+00 -1.583705265e+00 -1.796381040e+00 4.00 -9.824909486e-01 -1.544738867e+00 -1.759011355e+00 4.02 -9.548942810e-01 -1.506668613e+00 -1.722399535e+00 4.04 -9.279173554e-01 -1.469512440e+00 -1.686536022e+00 4.06 -9.015158624e-01 -1.433279209e+00 -1.651408413e+00 4.08 -8.756474840e-01 -1.397967904e+00 -1.617001299e+00 4.10 -8.502776757e-01 -1.363568683e+00 -1.583297324e+00 4.12 -8.253730951e-01 -1.330062215e+00 -1.550276566e+00 4.14 -8.009083350e-01 -1.297421987e+00 -1.517918148e+00 4.16 -7.768647678e-01 -1.265615011e+00 -1.486198870e+00 4.18 -7.532224323e-01 -1.234607297e+00 -1.455095629e+00 4.20 -7.299725174e-01 -1.204362038e+00 -1.424583080e+00 4.22 -7.071142444e-01 -1.174842820e+00 -1.394636847e+00 4.24 -6.846461698e-01 -1.146013880e+00 -1.365230555e+00 4.26 -6.625749063e-01 -1.117839198e+00 -1.336339026e+00 4.28 -6.409136561e-01 -1.090285901e+00 -1.307935952e+00 4.30 -6.196683759e-01 -1.063321523e+00 -1.279995415e+00 4.32 -5.988395642e-01 -1.036917095e+00 -1.252492025e+00 4.34 -5.784327250e-01 -1.011044759e+00 -1.225399201e+00 4.36 -5.584560641e-01 -9.856799643e-01 -1.198692588e+00 4.38 -5.389175579e-01 -9.608013866e-01 -1.172345624e+00 4.40 -5.198213352e-01 -9.363881020e-01 -1.146334016e+00 4.42 -5.011713398e-01 -9.124238844e-01 -1.120632680e+00 4.44 -4.829724767e-01 -8.888942376e-01 -1.095216463e+00 4.46 -4.652307639e-01 -8.657866274e-01 -1.070062600e+00 4.48 -4.479537853e-01 -8.430910983e-01 -1.045146245e+00 4.50 -4.311492383e-01 -8.207959699e-01 -1.020445910e+00 4.52 -4.148126365e-01 -7.988910444e-01 -9.959405193e-01 4.54 -3.989394798e-01 -7.773652249e-01 -9.716096111e-01 4.56 -3.835330810e-01 -7.562002452e-01 -9.474376871e-01 4.58 -3.686031680e-01 -7.353786458e-01 -9.234103516e-01 4.60 -3.541643415e-01 -7.148834011e-01 -8.995174851e-01 4.62 -3.402344410e-01 -6.946919901e-01 -8.757543030e-01 4.64 -3.268327254e-01 -6.747833034e-01 -8.521164646e-01 4.66 -3.139779405e-01 -6.551406456e-01 -8.286049649e-01 4.68 -3.016858166e-01 -6.357424013e-01 -8.052263209e-01 4.70 -2.899666070e-01 -6.165672272e-01 -7.819845628e-01 4.72 -2.788222909e-01 -5.976032914e-01 -7.588873458e-01 4.74 -2.682452261e-01 -5.788472967e-01 -7.359486470e-01 4.76 -2.582179426e-01 -5.603008990e-01 -7.131828791e-01 4.78 -2.487137410e-01 -5.419708713e-01 -6.906028050e-01 4.80 -2.396980542e-01 -5.238704777e-01 -6.682256260e-01 4.82 -2.311304522e-01 -5.060162093e-01 -6.460720943e-01 4.84 -2.229670469e-01 -4.884249046e-01 -6.241597192e-01 4.86 -2.151630329e-01 -4.711020404e-01 -6.024989761e-01 4.88 -2.076750912e-01 -4.540437534e-01 -5.811032386e-01 4.90 -2.004634265e-01 -4.372529286e-01 -5.599886608e-01 4.92 -1.934932845e-01 -4.207374861e-01 -5.391732411e-01 4.94 -1.867358905e-01 -4.045077164e-01 -5.186748324e-01 4.96 -1.801688216e-01 -3.885750015e-01 -4.985097134e-01 4.98 -1.737758887e-01 -3.729514877e-01 -4.786956457e-01 5.00 -1.675466340e-01 -3.576496440e-01 -4.592521566e-01 5.02 -1.614755642e-01 -3.426827053e-01 -4.402004634e-01 5.04 -1.555612271e-01 -3.280644519e-01 -4.215634898e-01 5.06 -1.498052200e-01 -3.138087954e-01 -4.033641453e-01 5.08 -1.442111956e-01 -2.999256889e-01 -3.856121751e-01 5.10 -1.387839065e-01 -2.864244748e-01 -3.683138485e-01 5.12 -1.335283090e-01 -2.733165953e-01 -3.514806380e-01 5.14 -1.284487330e-01 -2.606152270e-01 -3.351281396e-01 5.16 -1.235481134e-01 -2.483347582e-01 -3.192748861e-01 5.18 -1.188273997e-01 -2.364901544e-01 -3.039411355e-01 5.20 -1.142862449e-01 -2.250962170e-01 -2.891476043e-01 5.22 -1.099240103e-01 -2.141666282e-01 -2.749140547e-01 5.24 -1.057398555e-01 -2.037124872e-01 -2.612578085e-01 5.26 -1.017327349e-01 -1.937413196e-01 -2.481926031e-01 5.28 -9.790138966e-02 -1.842560936e-01 -2.357262758e-01 5.30 -9.424433780e-02 -1.752548717e-01 -2.238600158e-01 5.32 -9.075986070e-02 -1.667307962e-01 -2.125882169e-01 5.34 -8.744598716e-02 -1.586723507e-01 -2.018987507e-01 5.36 -8.430047466e-02 -1.510638871e-01 -1.917736459e-01 5.38 -8.132078826e-02 -1.438863831e-01 -1.821901232e-01 5.40 -7.850407700e-02 -1.371183539e-01 -1.731218670e-01 5.42 -7.584714813e-02 -1.307368471e-01 -1.645404332e-01 5.44 -7.334643952e-02 -1.247184232e-01 -1.564166427e-01 5.46 -7.099798965e-02 -1.190400507e-01 -1.487218571e-01 5.48 -6.879740622e-02 -1.136798531e-01 -1.414290412e-01 5.50 -6.673983364e-02 -1.086176692e-01 -1.345135533e-01 5.52 -6.481999912e-02 -1.038354151e-01 -1.279536463e-01 5.54 -6.303246003e-02 -9.931725406e-02 -1.217306907e-01 5.56 -6.137167254e-02 -9.504959766e-02 -1.158291514e-01 5.58 -5.983213927e-02 -9.102097070e-02 -1.102363673e-01 5.60 -5.840835666e-02 -8.722177726e-02 -1.049421904e-01 5.62 -5.709480871e-02 -8.364399988e-02 -9.993853079e-02 5.64 -5.588599353e-02 -8.028086336e-02 -9.521885576e-02 5.66 -5.477644653e-02 -7.712648616e-02 -9.077767502e-02 5.68 -5.376076082e-02 -7.417553584e-02 -8.661003772e-02 5.70 -5.283360540e-02 -7.142289952e-02 -8.271105678e-02 5.72 -5.198974154e-02 -6.886337382e-02 -7.907546694e-02 5.74 -5.122404153e-02 -6.649137653e-02 -7.569721920e-02 5.76 -5.053149826e-02 -6.430067804e-02 -7.256910820e-02 5.78 -4.990722783e-02 -6.228415515e-02 -6.968243642e-02 5.80 -4.934649246e-02 -6.043382971e-02 -6.702710823e-02 5.82 -4.884471084e-02 -5.874142822e-02 -6.459250744e-02 5.84 -4.839746735e-02 -5.719857397e-02 -6.236782250e-02 5.86 -4.800052043e-02 -5.579685243e-02 -6.034211775e-02 5.88 -4.764981019e-02 -5.452790691e-02 -5.850439940e-02 5.90 -4.734110268e-02 -5.338348693e-02 -5.684367792e-02 5.92 -4.707025633e-02 -5.235547643e-02 -5.534902677e-02 5.94 -4.683420316e-02 -5.143591535e-02 -5.400963707e-02 5.96 -4.662997720e-02 -5.061703827e-02 -5.281486827e-02 5.98 -4.645471949e-02 -4.989129883e-02 -5.175429458e-02 6.00 -4.630570480e-02 -4.925139141e-02 -5.081774722e-02