# 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 = AlNi3 # 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 1.101452216e+02 nan nan 1.16 1.004895219e+02 nan nan 1.18 9.166006019e+01 nan nan 1.20 8.358325172e+01 nan nan 1.22 7.619146593e+01 nan nan 1.24 6.942081898e+01 nan nan 1.26 6.321333035e+01 nan nan 1.28 5.751871198e+01 9.389897137e+01 1.092108108e+02 1.30 5.229325255e+01 8.625572701e+01 1.005858189e+02 1.32 4.749779756e+01 7.920673575e+01 9.261946906e+01 1.34 4.309660718e+01 7.269860540e+01 8.526080304e+01 1.36 3.905693615e+01 6.668563248e+01 7.846415300e+01 1.38 3.534885971e+01 6.113043497e+01 7.218616164e+01 1.40 3.194519822e+01 5.600142377e+01 6.638444835e+01 1.42 2.882132850e+01 5.126957269e+01 6.101855230e+01 1.44 2.595454516e+01 4.690612150e+01 5.605168746e+01 1.46 2.332316575e+01 4.288169655e+01 5.145155485e+01 1.48 2.090618954e+01 3.916696268e+01 4.718966642e+01 1.50 1.868533576e+01 3.573426181e+01 4.324003962e+01 1.52 1.664458152e+01 3.255911097e+01 3.957856171e+01 1.54 1.476900110e+01 2.962068006e+01 3.618335659e+01 1.56 1.304615971e+01 2.690115030e+01 3.303527216e+01 1.58 1.146513749e+01 2.438456195e+01 3.011766320e+01 1.60 1.001555042e+01 2.205597237e+01 2.741558249e+01 1.62 8.687060866e+00 1.990137680e+01 2.491491771e+01 1.64 7.469425424e+00 1.790939338e+01 2.260175240e+01 1.66 6.352875743e+00 1.606864949e+01 2.046204249e+01 1.68 5.328588915e+00 1.436799779e+01 1.848309744e+01 1.70 4.388997710e+00 1.279707570e+01 1.665173359e+01 1.72 3.527776807e+00 1.134617227e+01 1.495496701e+01 1.74 2.739554529e+00 1.000611890e+01 1.338166357e+01 1.76 2.019542931e+00 8.768244296e+00 1.192275053e+01 1.78 1.363242478e+00 7.624475060e+00 1.057082484e+01 1.80 7.662628494e-01 6.567554692e+00 9.319453508e+00 1.82 2.242315697e-01 5.591233443e+00 8.162537926e+00 1.84 -2.672327015e-01 4.690274763e+00 7.093939923e+00 1.86 -7.124720934e-01 3.860225923e+00 6.107383511e+00 1.88 -1.115660584e+00 3.097034512e+00 5.196563027e+00 1.90 -1.480642093e+00 2.396666660e+00 4.355373542e+00 1.92 -1.810820353e+00 1.754862152e+00 3.578172561e+00 1.94 -2.109150498e+00 1.167090212e+00 2.859966590e+00 1.96 -2.378213233e+00 6.286931839e-01 2.196437899e+00 1.98 -2.620315286e+00 1.351418651e-01 1.583816808e+00 2.00 -2.837566640e+00 -3.177057270e-01 1.018700230e+00 2.02 -3.031911103e+00 -7.334328877e-01 4.979321523e-01 2.04 -3.205116937e+00 -1.115017783e+00 1.858833015e-02 2.06 -3.358757537e+00 -1.464896097e+00 -4.219828265e-01 2.08 -3.494215125e+00 -1.785085495e+00 -8.261420072e-01 2.10 -3.612721251e+00 -2.077320507e+00 -1.196002696e+00 2.12 -3.715423435e+00 -2.343163269e+00 -1.533519313e+00 2.14 -3.803453906e+00 -2.584079089e+00 -1.840580740e+00 2.16 -3.877976160e+00 -2.801482391e+00 -2.119084165e+00 2.18 -3.940192949e+00 -2.996763823e+00 -2.370983951e+00 2.20 -3.991313595e+00 -3.171306761e+00 -2.598315267e+00 2.22 -4.032490634e+00 -3.326496540e+00 -2.803184934e+00 2.24 -4.064753637e+00 -3.463722460e+00 -2.987718665e+00 2.26 -4.088978279e+00 -3.584372864e+00 -3.153965438e+00 2.28 -4.105877463e+00 -3.689826583e+00 -3.303783803e+00 2.30 -4.116026301e+00 -3.781444661e+00 -3.438751111e+00 2.32 -4.119912780e+00 -3.860561145e+00 -3.560128587e+00 2.34 -4.117991119e+00 -3.928463594e+00 -3.668887099e+00 2.36 -4.110966918e+00 -3.986354831e+00 -3.765772202e+00 2.38 -4.099335947e+00 -4.035300393e+00 -3.851379166e+00 2.40 -4.082874706e+00 -4.076183243e+00 -3.926217307e+00 2.42 -4.061592893e+00 -4.109684779e+00 -3.990756850e+00 2.44 -4.035662357e+00 -4.136307166e+00 -4.045460918e+00 2.46 -4.005340364e+00 -4.156432123e+00 -4.090808509e+00 2.48 -3.970913035e+00 -4.170380928e+00 -4.127314406e+00 2.50 -3.932673888e+00 -4.178464191e+00 -4.155538154e+00 2.52 -3.890921084e+00 -4.181014160e+00 -4.176103586e+00 2.54 -3.845925238e+00 -4.178400453e+00 -4.189705737e+00 2.56 -3.797922570e+00 -4.171370593e+00 -4.197104240e+00 2.58 -3.747113552e+00 -4.160390494e+00 -4.199100795e+00 2.60 -3.693665121e+00 -4.145188509e+00 -4.196498791e+00 2.62 -3.637717625e+00 -4.125657990e+00 -4.190363360e+00 2.64 -3.579395862e+00 -4.101828420e+00 -4.181874419e+00 2.66 -3.518822418e+00 -4.073827782e+00 -4.170782942e+00 2.68 -3.456131541e+00 -4.041853220e+00 -4.156761479e+00 2.70 -3.391482025e+00 -4.006152364e+00 -4.139524444e+00 2.72 -3.325067425e+00 -3.967016767e+00 -4.118821648e+00 2.74 -3.257121650e+00 -3.924783543e+00 -4.094444010e+00 2.76 -3.187918062e+00 -3.879810546e+00 -4.066235428e+00 2.78 -3.117761376e+00 -3.832452597e+00 -4.034110928e+00 2.80 -3.046973704e+00 -3.783038013e+00 -3.998075732e+00 2.82 -2.975878087e+00 -3.731847067e+00 -3.958220850e+00 2.84 -2.904783613e+00 -3.679099115e+00 -3.914726104e+00 2.86 -2.833974816e+00 -3.624951291e+00 -3.867857461e+00 2.88 -2.763705758e+00 -3.569507476e+00 -3.817954200e+00 2.90 -2.694197220e+00 -3.512833591e+00 -3.765405766e+00 2.92 -2.625635095e+00 -3.454974990e+00 -3.710621194e+00 2.94 -2.558169158e+00 -3.395972999e+00 -3.653996705e+00 2.96 -2.491912484e+00 -3.335879162e+00 -3.595888129e+00 2.98 -2.426942632e+00 -3.274766661e+00 -3.536593455e+00 3.00 -2.363304938e+00 -3.212738589e+00 -3.476347442e+00 3.02 -2.301017626e+00 -3.149932447e+00 -3.415327323e+00 3.04 -2.240077788e+00 -3.086519992e+00 -3.353666037e+00 3.06 -2.180467218e+00 -3.022701862e+00 -3.291469069e+00 3.08 -2.122157375e+00 -2.958697164e+00 -3.228831376e+00 3.10 -2.065113239e+00 -2.894729722e+00 -3.165851836e+00 3.12 -2.009296156e+00 -2.831013503e+00 -3.102643461e+00 3.14 -1.954665922e+00 -2.767740180e+00 -3.039338304e+00 3.16 -1.901182378e+00 -2.705070888e+00 -2.976086608e+00 3.18 -1.848806670e+00 -2.643133101e+00 -2.913050586e+00 3.20 -1.797502209e+00 -2.582021930e+00 -2.850394206e+00 3.22 -1.747235275e+00 -2.521804445e+00 -2.788271292e+00 3.24 -1.697975190e+00 -2.462525332e+00 -2.726814547e+00 3.26 -1.649693984e+00 -2.404212542e+00 -2.666127811e+00 3.28 -1.602365582e+00 -2.346882080e+00 -2.606282710e+00 3.30 -1.555964613e+00 -2.290541602e+00 -2.547319661e+00 3.32 -1.510464998e+00 -2.235192835e+00 -2.489252191e+00 3.34 -1.465838531e+00 -2.180833003e+00 -2.432073149e+00 3.36 -1.422053669e+00 -2.127455548e+00 -2.375761467e+00 3.38 -1.379074722e+00 -2.075050378e+00 -2.320288573e+00 3.40 -1.336861597e+00 -2.023603863e+00 -2.265623966e+00 3.42 -1.295370243e+00 -1.973098748e+00 -2.211739821e+00 3.44 -1.254553918e+00 -1.923514087e+00 -2.158614616e+00 3.46 -1.214365215e+00 -1.874825320e+00 -2.106235765e+00 3.48 -1.174759039e+00 -1.827004520e+00 -2.054601198e+00 3.50 -1.135696307e+00 -1.780020866e+00 -2.003719742e+00 3.52 -1.097148261e+00 -1.733841310e+00 -1.953610265e+00 3.54 -1.059101010e+00 -1.688431426e+00 -1.904299531e+00 3.56 -1.021559800e+00 -1.643756345e+00 -1.855819195e+00 3.58 -9.845522729e-01 -1.599781712e+00 -1.808202297e+00 3.60 -9.481299193e-01 -1.556474588e+00 -1.761479877e+00 3.62 -9.123669500e-01 -1.513804249e+00 -1.715678224e+00 3.64 -8.773561051e-01 -1.471742884e+00 -1.670817092e+00 3.66 -8.432014280e-01 -1.430266252e+00 -1.626908953e+00 3.68 -8.100086939e-01 -1.389354380e+00 -1.583959137e+00 3.70 -7.778748145e-01 -1.348992413e+00 -1.541966586e+00 3.72 -7.468779061e-01 -1.309171683e+00 -1.500924884e+00 3.74 -7.170696617e-01 -1.269891015e+00 -1.460823335e+00 3.76 -6.884711879e-01 -1.231158170e+00 -1.421647910e+00 3.78 -6.610727231e-01 -1.192991211e+00 -1.383381992e+00 3.80 -6.348368891e-01 -1.155419471e+00 -1.346006930e+00 3.82 -6.097045635e-01 -1.118483702e+00 -1.309502426e+00 3.84 -5.856022133e-01 -1.082235052e+00 -1.273846801e+00 3.86 -5.624495642e-01 -1.046732592e+00 -1.239017202e+00 3.88 -5.401667031e-01 -1.012039391e+00 -1.204989759e+00 3.90 -5.186799889e-01 -9.782174320e-01 -1.171739710e+00 3.92 -4.979263932e-01 -9.453219691e-01 -1.139241499e+00 3.94 -4.778561046e-01 -9.133961212e-01 -1.107468862e+00 3.96 -4.584333052e-01 -8.824664545e-01 -1.076394811e+00 3.98 -4.396352521e-01 -8.525402302e-01 -1.045991632e+00 4.00 -4.214498231e-01 -8.236045548e-01 -1.016230787e+00 4.02 -4.038718953e-01 -7.956273871e-01 -9.870827906e-01 4.04 -3.868990495e-01 -7.685600440e-01 -9.585170407e-01 4.06 -3.705271849e-01 -7.423406897e-01 -9.305016462e-01 4.08 -3.547466390e-01 -7.168982767e-01 -9.030032672e-01 4.10 -3.395393048e-01 -6.921564880e-01 -8.759870046e-01 4.12 -3.248770489e-01 -6.680374351e-01 -8.494163723e-01 4.14 -3.107215099e-01 -6.444648106e-01 -8.232533915e-01 4.16 -2.970251450e-01 -6.213666529e-01 -7.974588462e-01 4.18 -2.837332679e-01 -5.986775951e-01 -7.719927406e-01 4.20 -2.707867185e-01 -5.763407132e-01 -7.468150006e-01 4.22 -2.581248700e-01 -5.543090105e-01 -7.218864535e-01 4.24 -2.456887467e-01 -5.325465651e-01 -6.971701169e-01 4.26 -2.334240669e-01 -5.110293427e-01 -6.726328064e-01 4.28 -2.212838634e-01 -4.897456658e-01 -6.482470472e-01 4.30 -2.092313454e-01 -4.686963271e-01 -6.239932335e-01 4.32 -1.972424693e-01 -4.478943468e-01 -5.998619280e-01 4.34 -1.853070503e-01 -4.273643869e-01 -5.758561294e-01 4.36 -1.734300479e-01 -4.071418410e-01 -5.519932732e-01 4.38 -1.616321131e-01 -3.872716128e-01 -5.283066726e-01 4.40 -1.499491681e-01 -3.678065735e-01 -5.048460835e-01 4.42 -1.384310163e-01 -3.488056638e-01 -4.816770947e-01 4.44 -1.271388754e-01 -3.303316000e-01 -4.588791301e-01 4.46 -1.161419540e-01 -3.124481634e-01 -4.365419960e-01 4.48 -1.055132883e-01 -2.952171218e-01 -4.147611108e-01 4.50 -9.532518819e-02 -2.786949201e-01 -3.936317731e-01 4.52 -8.564471901e-02 -2.629293838e-01 -3.732430047e-01 4.54 -7.652968989e-02 -2.479567428e-01 -3.536716920e-01 4.56 -6.802547283e-02 -2.337993001e-01 -3.349775140e-01 4.58 -6.016299828e-02 -2.204640108e-01 -3.171994202e-01 4.60 -5.295796068e-02 -2.079421272e-01 -3.003538021e-01 4.62 -4.641119620e-02 -1.962099131e-01 -2.844344935e-01 4.64 -4.051003195e-02 -1.852302921e-01 -2.694144111e-01 4.66 -3.523032888e-02 -1.749552048e-01 -2.552484932e-01 4.68 -3.053890833e-02 -1.653284076e-01 -2.418774839e-01 4.70 -2.639609251e-02 -1.562884322e-01 -2.292321196e-01 4.72 -2.275812620e-02 -1.477714494e-01 -2.172373357e-01 4.74 -1.957924679e-02 -1.397136304e-01 -2.058162350e-01 4.76 -1.681295932e-02 -1.320541009e-01 -1.948936049e-01 4.78 -1.441506631e-02 -1.247363158e-01 -1.843987759e-01 4.80 -1.234361061e-02 -1.177097991e-01 -1.742680533e-01 4.82 -1.055931949e-02 -1.109312507e-01 -1.644471507e-01 4.84 -9.026094576e-03 -1.043650507e-01 -1.548919266e-01 4.86 -7.711237491e-03 -9.798379747e-02 -1.455692521e-01 4.88 -6.585480677e-03 -9.176846598e-02 -1.364574110e-01 4.90 -5.622882426e-03 -8.570824029e-02 -1.275459946e-01 4.92 -4.800633458e-03 -7.980002341e-02 -1.188353021e-01 4.94 -4.098811710e-03 -7.404763732e-02 -1.103352628e-01 4.96 -3.500112342e-03 -6.846073804e-02 -1.020639164e-01 4.98 -2.989572015e-03 -6.305349108e-02 -9.404552103e-02 5.00 -2.554300384e-03 -5.784307633e-02 -8.630839208e-02 5.02 -2.183226951e-03 -5.284811290e-02 -7.888261023e-02 5.04 -1.866867924e-03 -4.808710868e-02 -7.179775574e-02 5.06 -1.597115218e-03 -4.357704096e-02 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