# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Ta-Cu # implementation = 2004--Zhou-X-W--Ta-Cu--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Cu Cu Cu Ta Ta Ta 0.02 6.397361890e+03 1.124489031e+04 1.578265107e+04 0.04 3.196591321e+03 5.619229224e+03 7.893577891e+03 0.06 2.129667798e+03 3.744008862e+03 5.263886831e+03 0.08 1.596206037e+03 2.806398681e+03 3.949041301e+03 0.10 1.276128980e+03 2.243832572e+03 3.160133982e+03 0.12 1.062744275e+03 1.868788499e+03 2.634195770e+03 0.14 9.103266291e+02 1.600899876e+03 2.258525619e+03 0.16 7.960133945e+02 1.399983409e+03 1.976773005e+03 0.18 7.071031009e+02 1.243715045e+03 1.757632084e+03 0.20 6.359748660e+02 1.118700355e+03 1.582319346e+03 0.22 5.777790375e+02 1.016415607e+03 1.438881652e+03 0.24 5.292825137e+02 9.311783183e+02 1.319350240e+03 0.26 4.882469936e+02 8.590544582e+02 1.218208276e+03 0.28 4.530736907e+02 7.972340067e+02 1.131515164e+03 0.30 4.225901614e+02 7.436562821e+02 1.056381134e+03 0.32 3.959170734e+02 6.967757730e+02 9.906388576e+02 0.34 3.723819956e+02 6.554106180e+02 9.326309666e+02 0.36 3.514619266e+02 6.186415912e+02 8.810683968e+02 0.38 3.327439700e+02 5.857429884e+02 8.349334659e+02 0.40 3.158978091e+02 5.561342458e+02 7.934120281e+02 0.42 3.006560445e+02 5.293453835e+02 7.558450129e+02 0.44 2.867998949e+02 5.049918723e+02 7.216931810e+02 0.46 2.741486278e+02 4.827560577e+02 6.905110736e+02 0.48 2.625516330e+02 4.623732277e+02 6.619274751e+02 0.50 2.517381372e+02 4.433879567e+02 6.353151045e+02 0.52 2.355834402e+02 4.158518787e+02 5.971474475e+02 0.54 2.203055435e+02 3.897676384e+02 5.609104565e+02 0.56 2.059848566e+02 3.652667188e+02 5.267894626e+02 0.58 1.925622946e+02 3.422546329e+02 4.946633645e+02 0.60 1.799818935e+02 3.206416289e+02 4.644162838e+02 0.62 1.681912024e+02 3.003436626e+02 4.359395178e+02 0.64 1.571412962e+02 2.812818285e+02 4.091313088e+02 0.66 1.467859786e+02 2.633817610e+02 3.838950794e+02 0.68 1.370819442e+02 2.465737183e+02 3.601399099e+02 0.70 1.279888345e+02 2.307920973e+02 3.377797035e+02 0.72 1.194683820e+02 2.159747673e+02 3.167345514e+02 0.74 1.114851027e+02 2.020635486e+02 2.969280079e+02 0.76 1.040054765e+02 1.890037542e+02 2.782886700e+02 0.78 9.699811663e+01 1.767436271e+02 2.607485452e+02 0.80 9.043353990e+01 1.652348436e+02 2.442442265e+02 0.82 8.428415713e+01 1.544320242e+02 2.287158676e+02 0.84 7.852400599e+01 1.442922788e+02 2.141067039e+02 0.86 7.312889386e+01 1.347758317e+02 2.003637266e+02 0.88 6.807595854e+01 1.258454394e+02 1.874364341e+02 0.90 6.334387660e+01 1.174664080e+02 1.752778086e+02 0.92 5.891254006e+01 1.096057080e+02 1.638429930e+02 0.94 5.476299108e+01 1.022324402e+02 1.530902197e+02 0.96 5.087626743e+01 9.531741520e+01 1.429797202e+02 0.98 4.723654971e+01 8.883321278e+01 1.334742878e+02 1.00 4.382952702e+01 8.275389281e+01 1.245387265e+02 1.02 4.064169902e+01 7.705509599e+01 1.161398094e+02 1.04 3.766017788e+01 7.171388271e+01 1.082464908e+02 1.06 3.487277156e+01 6.670865014e+01 1.008292166e+02 1.08 3.226796741e+01 6.201904019e+01 9.386031710e+01 1.10 2.983481139e+01 5.762591005e+01 8.731362881e+01 1.12 2.756302384e+01 5.351126029e+01 8.116449229e+01 1.14 2.544273873e+01 4.965815434e+01 7.538977080e+01 1.16 2.346454019e+01 4.605064054e+01 6.996763365e+01 1.18 2.161959113e+01 4.267371457e+01 6.487742226e+01 1.20 1.989954285e+01 3.951323959e+01 6.009970265e+01 1.22 1.829654293e+01 3.655596945e+01 5.561621502e+01 1.24 1.680323701e+01 3.378942358e+01 5.140969525e+01 1.26 1.541268080e+01 3.120190378e+01 4.746398343e+01 1.28 1.411832787e+01 2.878229849e+01 4.376409319e+01 1.30 1.291404281e+01 2.652027326e+01 4.029573968e+01 1.32 1.179408163e+01 2.440609006e+01 3.704490033e+01 1.34 1.075301790e+01 2.243057676e+01 3.399836314e+01 1.36 9.785764380e+00 2.058510490e+01 3.114365733e+01 1.38 8.887545711e+00 1.886160090e+01 2.846913975e+01 1.40 8.053878808e+00 1.725245380e+01 2.596386438e+01 1.42 7.280548914e+00 1.575051822e+01 2.361751143e+01 1.44 6.563600824e+00 1.434905859e+01 2.142034993e+01 1.46 5.899341488e+00 1.304180909e+01 1.936334740e+01 1.48 5.284286294e+00 1.182283013e+01 1.743851816e+01 1.50 4.715169075e+00 1.068654590e+01 1.563895980e+01 1.52 4.188942897e+00 9.627754916e+00 1.395805673e+01 1.54 3.702736814e+00 8.641539746e+00 1.238947633e+01 1.56 3.253863538e+00 7.723268149e+00 1.092713598e+01 1.58 2.839803945e+00 6.867986252e+00 9.565191225e+00 1.60 2.458209486e+00 6.071871628e+00 8.298082615e+00 1.62 2.106862088e+00 5.331616405e+00 7.120464183e+00 1.64 1.783698842e+00 4.644085304e+00 6.027253790e+00 1.66 1.486778217e+00 4.006257951e+00 5.013592134e+00 1.68 1.214292857e+00 3.415275093e+00 4.074854517e+00 1.70 9.645468642e-01 2.868397910e+00 3.206642190e+00 1.72 7.359493174e-01 2.363016010e+00 2.404768373e+00 1.74 5.270187238e-01 1.896650872e+00 1.665242654e+00 1.76 3.363672885e-01 1.466938296e+00 9.842866395e-01 1.78 1.626951676e-01 1.071585711e+00 3.583146005e-01 1.80 4.788977831e-03 7.083964735e-01 -2.160712767e-01 1.82 -1.384839042e-01 3.752963936e-01 -7.421015352e-01 1.84 -2.681829987e-01 7.032827766e-02 -1.222828956e+00 1.86 -3.852993670e-01 -2.083518571e-01 -1.661136743e+00 1.88 -4.907551847e-01 -4.624814834e-01 -2.059765270e+00 1.90 -5.854162150e-01 -6.937018058e-01 -2.421295121e+00 1.92 -6.700852402e-01 -9.035522063e-01 -2.748166469e+00 1.94 -7.455144331e-01 -1.093483739e+00 -3.042685941e+00 1.96 -8.124057637e-01 -1.264863507e+00 -3.307026733e+00 1.98 -8.714129355e-01 -1.418974786e+00 -3.543239017e+00 2.00 -9.231454448e-01 -1.557024739e+00 -3.753254799e+00 2.02 -9.681707759e-01 -1.680144917e+00 -3.938899507e+00 2.04 -1.007019110e+00 -1.789402986e+00 -4.101884569e+00 2.06 -1.040183855e+00 -1.885795047e+00 -4.243822542e+00 2.08 -1.068123445e+00 -1.970261308e+00 -4.366232689e+00 2.10 -1.091266993e+00 -2.043680659e+00 -4.470545818e+00 2.12 -1.110009137e+00 -2.106875768e+00 -4.558098601e+00 2.14 -1.124722533e+00 -2.160622202e+00 -4.630150119e+00 2.16 -1.135750206e+00 -2.205641576e+00 -4.687886463e+00 2.18 -1.143412995e+00 -2.242611961e+00 -4.732412635e+00 2.20 -1.148005037e+00 -2.272166072e+00 -4.764772538e+00 2.22 -1.149805142e+00 -2.294898739e+00 -4.785938969e+00 2.24 -1.149067674e+00 -2.311362407e+00 -4.796822183e+00 2.26 -1.146030406e+00 -2.322077131e+00 -4.798282190e+00 2.28 -1.140913770e+00 -2.327524887e+00 -4.791114678e+00 2.30 -1.133921206e+00 -2.328159051e+00 -4.776072264e+00 2.32 -1.125242840e+00 -2.324400031e+00 -4.753849417e+00 2.34 -1.115052426e+00 -2.316640151e+00 -4.725101133e+00 2.36 -1.103512586e+00 -2.305247573e+00 -4.690439458e+00 2.38 -1.090773025e+00 -2.290562588e+00 -4.650429547e+00 2.40 -1.076971575e+00 -2.272903329e+00 -4.605604815e+00 2.42 -1.062236302e+00 -2.252565627e+00 -4.556457269e+00 2.44 -1.046684569e+00 -2.229822903e+00 -4.503449327e+00 2.46 -1.030425160e+00 -2.204932664e+00 -4.447008136e+00 2.48 -1.013558390e+00 -2.178132067e+00 -4.387531622e+00 2.50 -9.961770668e-01 -2.149641014e+00 -4.325393527e+00 2.52 -9.783648629e-01 -2.119664094e+00 -4.260934840e+00 2.54 -9.601996981e-01 -2.088391236e+00 -4.194475217e+00 2.56 -9.417535126e-01 -2.055998346e+00 -4.126311755e+00 2.58 -9.230910763e-01 -2.022646831e+00 -4.056717488e+00 2.60 -9.042735146e-01 -1.988487242e+00 -3.985944668e+00 2.62 -8.853554944e-01 -1.953660704e+00 -3.914232793e+00 2.64 -8.663867535e-01 -1.918293593e+00 -3.841795962e+00 2.66 -8.474138220e-01 -1.882504586e+00 -3.768834447e+00 2.68 -8.284783331e-01 -1.846404026e+00 -3.695532397e+00 2.70 -8.096183720e-01 -1.810093522e+00 -3.622064322e+00 2.72 -7.908685244e-01 -1.773664197e+00 -3.548580704e+00 2.74 -7.722611645e-01 -1.737202402e+00 -3.475229382e+00 2.76 -7.538245159e-01 -1.700787163e+00 -3.402141185e+00 2.78 -7.355843757e-01 -1.664489804e+00 -3.329436535e+00 2.80 -7.175637190e-01 -1.628377536e+00 -3.257226926e+00 2.82 -6.997844781e-01 -1.592509830e+00 -3.185610444e+00 2.84 -6.822654495e-01 -1.556942183e+00 -3.114680448e+00 2.86 -6.650241576e-01 -1.521724867e+00 -3.044516473e+00 2.88 -6.480754323e-01 -1.486904022e+00 -2.975194456e+00 2.90 -6.314330290e-01 -1.452521926e+00 -2.906779031e+00 2.92 -6.151086958e-01 -1.418613367e+00 -2.839328548e+00 2.94 -5.991130977e-01 -1.385213064e+00 -2.772893282e+00 2.96 -5.834545392e-01 -1.352348503e+00 -2.707513125e+00 2.98 -5.681399002e-01 -1.320043888e+00 -2.643224671e+00 3.00 -5.531749270e-01 -1.288320155e+00 -2.580053774e+00 3.02 -5.385641162e-01 -1.257193054e+00 -2.518022579e+00 3.04 -5.243090249e-01 -1.226673235e+00 -2.457137612e+00 3.06 -5.104101388e-01 -1.196766502e+00 -2.397402140e+00 3.08 -4.968653216e-01 -1.167474172e+00 -2.338811247e+00 3.10 -4.836709402e-01 -1.138791288e+00 -2.281347517e+00 3.12 -4.708200582e-01 -1.110706667e+00 -2.224987304e+00 3.14 -4.583049479e-01 -1.083204189e+00 -2.169695833e+00 3.16 -4.461140099e-01 -1.056259833e+00 -2.115426968e+00 3.18 -4.342344562e-01 -1.029845241e+00 -2.062129493e+00 3.20 -4.226507098e-01 -1.003924570e+00 -2.009741534e+00 3.22 -4.113464044e-01 -9.784589851e-01 -1.958192496e+00 3.24 -4.003028731e-01 -9.534046051e-01 -1.907406300e+00 3.26 -3.895022530e-01 -9.287148486e-01 -1.857300907e+00 3.28 -3.789258873e-01 -9.043432629e-01 -1.807793542e+00 3.30 -3.685573279e-01 -8.802437099e-01 -1.758796622e+00 3.32 -3.583812124e-01 -8.563714199e-01 -1.710221064e+00 3.34 -3.483852643e-01 -8.326870816e-01 -1.661985517e+00 3.36 -3.385595930e-01 -8.091535438e-01 -1.614008401e+00 3.38 -3.288983114e-01 -7.857415124e-01 -1.566210008e+00 3.40 -3.193975706e-01 -7.624252712e-01 -1.518519447e+00 3.42 -3.100572642e-01 -7.391849029e-01 -1.470870797e+00 3.44 -3.008793087e-01 -7.160051088e-01 -1.423201101e+00 3.46 -2.918675557e-01 -6.928746868e-01 -1.375454257e+00 3.48 -2.830268330e-01 -6.697847194e-01 -1.327579093e+00 3.50 -2.743629458e-01 -6.467283801e-01 -1.279529009e+00 3.52 -2.658815068e-01 -6.237016666e-01 -1.231265984e+00 3.54 -2.575881262e-01 -6.007015912e-01 -1.182755060e+00 3.56 -2.494872510e-01 -5.777287432e-01 -1.133974780e+00 3.58 -2.415831145e-01 -5.547852603e-01 -1.084914517e+00 3.60 -2.338783545e-01 -5.318770664e-01 -1.035576950e+00 3.62 -2.263746273e-01 -5.090160327e-01 -9.859834556e-01 3.64 -2.190726428e-01 -4.862197919e-01 -9.361787059e-01 3.66 -2.119721138e-01 -4.635137844e-01 -8.862315055e-01 3.68 -2.050715353e-01 -4.409332500e-01 -8.362399696e-01 3.70 -1.983687864e-01 -4.185231041e-01 -7.863344503e-01 3.72 -1.918609512e-01 -3.963380306e-01 -7.366749646e-01 3.74 -1.855443815e-01 -3.744438559e-01 -6.874546237e-01 3.76 -1.794147472e-01 -3.529140952e-01 -6.388882984e-01 3.78 -1.734673021e-01 -3.318306625e-01 -5.912156324e-01 3.80 -1.676967308e-01 -3.112785252e-01 -5.446897607e-01 3.82 -1.620974877e-01 -2.913443312e-01 -4.995672036e-01 3.84 -1.566636209e-01 -2.721126995e-01 -4.560981801e-01 3.86 -1.513887329e-01 -2.536616498e-01 -4.145155881e-01 3.88 -1.462662689e-01 -2.360594590e-01 -3.750245696e-01 3.90 -1.412893075e-01 -2.193614593e-01 -3.377962537e-01 3.92 -1.364506464e-01 -2.036083914e-01 -3.029615939e-01 3.94 -1.317426559e-01 -1.888239484e-01 -2.706022691e-01 3.96 -1.271576962e-01 -1.750169319e-01 -2.407572516e-01 3.98 -1.226876576e-01 -1.621785490e-01 -2.134175020e-01 4.00 -1.183241708e-01 -1.502864130e-01 -1.885368400e-01 4.02 -1.140584624e-01 -1.393051939e-01 -1.660332501e-01 4.04 -1.098816203e-01 -1.291896434e-01 -1.457967833e-01 4.06 -1.057844159e-01 -1.198863384e-01 -1.276948857e-01 4.08 -1.017572755e-01 -1.113367779e-01 -1.115814159e-01 4.10 -9.779059158e-02 -1.034791899e-01 -9.730107209e-02 4.12 -9.387475915e-02 -9.625079365e-02 -8.469569021e-02 4.14 -9.000008270e-02 -8.958879321e-02 -7.360742081e-02 4.16 -8.615736751e-02 -8.343227513e-02 -6.388264880e-02 4.18 -8.233773216e-02 -7.772448360e-02 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