# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Onat-B-Durukanoglu-S--Cu-Ni # implementation = 2013--Onat-B--Cu-Ni--LAMMPS--ipr2 # composition = Cu3Ni # 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 5.057782610e+01 nan nan 1.02 4.847987523e+01 nan nan 1.04 4.665948515e+01 nan nan 1.06 4.508713253e+01 nan nan 1.08 4.373816329e+01 nan nan 1.10 4.258741408e+01 4.925263590e+01 nan 1.12 4.162063118e+01 4.742297601e+01 5.023876583e+01 1.14 4.081608457e+01 4.583598857e+01 4.833460178e+01 1.16 4.016300354e+01 4.445481290e+01 4.666968693e+01 1.18 3.964121212e+01 4.325684614e+01 4.521406212e+01 1.20 3.922984406e+01 4.221188325e+01 4.393433956e+01 1.22 3.879859652e+01 4.131520910e+01 4.280875703e+01 1.24 3.692772840e+01 4.056416689e+01 4.183492445e+01 1.26 3.494433020e+01 3.993587688e+01 4.100283105e+01 1.28 3.290267432e+01 3.941987912e+01 4.030085798e+01 1.30 3.084834149e+01 3.901351733e+01 3.972665476e+01 1.32 2.881298589e+01 3.864825370e+01 3.926149038e+01 1.34 2.682006599e+01 3.766178366e+01 3.889415488e+01 1.36 2.488020412e+01 3.590498906e+01 3.854960406e+01 1.38 2.300418094e+01 3.407950730e+01 3.752453433e+01 1.40 2.120268905e+01 3.221718055e+01 3.581778918e+01 1.42 1.947859014e+01 3.034011496e+01 3.403970681e+01 1.44 1.783450270e+01 2.847002336e+01 3.222188389e+01 1.46 1.627302694e+01 2.663123334e+01 3.038963754e+01 1.48 1.479678568e+01 2.483881809e+01 2.857227305e+01 1.50 1.340309180e+01 2.310204871e+01 2.678609653e+01 1.52 1.208741723e+01 2.142499732e+01 2.504204922e+01 1.54 1.084763112e+01 1.981172270e+01 2.334759498e+01 1.56 9.685835242e+00 1.827207319e+01 2.171314798e+01 1.58 8.597194004e+00 1.680796162e+01 2.014316288e+01 1.60 7.576729165e+00 1.541768105e+01 1.863842612e+01 1.62 6.622396207e+00 1.409870416e+01 1.719818104e+01 1.64 5.732418658e+00 1.284752433e+01 1.582154621e+01 1.66 4.905322480e+00 1.166060982e+01 1.451266982e+01 1.68 4.136431079e+00 1.053794893e+01 1.327135725e+01 1.70 3.420943795e+00 9.479886441e+00 1.209392053e+01 1.72 2.754431278e+00 8.483112286e+00 1.097642004e+01 1.74 2.135530858e+00 7.544433363e+00 9.914502484e+00 1.76 1.562428548e+00 6.661976655e+00 8.904973119e+00 1.78 1.034843807e+00 5.832992915e+00 7.952173082e+00 1.80 5.492078434e-01 5.053484080e+00 7.056691922e+00 1.82 1.019710334e-01 4.319172855e+00 6.214630145e+00 1.84 -3.096255448e-01 3.627412413e+00 5.424297264e+00 1.86 -6.883814806e-01 2.978604153e+00 4.683600764e+00 1.88 -1.035799595e+00 2.375088659e+00 3.990348086e+00 1.90 -1.354375707e+00 1.815716168e+00 3.341192660e+00 1.92 -1.644150055e+00 1.297380405e+00 2.733980321e+00 1.94 -1.906692878e+00 8.175165665e-01 2.168047772e+00 1.96 -2.143339054e+00 3.744106426e-01 1.641064435e+00 1.98 -2.356282697e+00 -3.400066494e-02 1.150075324e+00 2.00 -2.547615575e+00 -4.098626281e-01 6.925932297e-01 2.02 -2.719363861e+00 -7.555660650e-01 2.678471050e-01 2.04 -2.873505932e+00 -1.073407461e+00 -1.259136721e-01 2.06 -3.010926552e+00 -1.365638857e+00 -4.902234128e-01 2.08 -3.132031970e+00 -1.634480430e+00 -8.275282337e-01 2.10 -3.238210230e+00 -1.882137954e+00 -1.140156456e+00 2.12 -3.329578373e+00 -2.109718873e+00 -1.429190648e+00 2.14 -3.406987263e+00 -2.316607088e+00 -1.693791961e+00 2.16 -3.471662727e+00 -2.503714009e+00 -1.934846122e+00 2.18 -3.524736260e+00 -2.672759954e+00 -2.154140854e+00 2.20 -3.567297898e+00 -2.825344373e+00 -2.353321772e+00 2.22 -3.600660503e+00 -2.962991605e+00 -2.533946860e+00 2.24 -3.625830917e+00 -3.086626494e+00 -2.697385733e+00 2.26 -3.643068328e+00 -3.196207143e+00 -2.844733940e+00 2.28 -3.653031295e+00 -3.292442045e+00 -2.977248049e+00 2.30 -3.656243089e+00 -3.375785426e+00 -3.096099124e+00 2.32 -3.652769809e+00 -3.447366279e+00 -3.202611337e+00 2.34 -3.642828396e+00 -3.508166021e+00 -3.298062371e+00 2.36 -3.627544059e+00 -3.559136940e+00 -3.383719493e+00 2.38 -3.606179778e+00 -3.601206670e+00 -3.460864070e+00 2.40 -3.578551295e+00 -3.635283146e+00 -3.529706419e+00 2.42 -3.545956131e+00 -3.662465095e+00 -3.588510564e+00 2.44 -3.508860203e+00 -3.683886079e+00 -3.636837357e+00 2.46 -3.467627487e+00 -3.699862530e+00 -3.675371965e+00 2.48 -3.422597325e+00 -3.709880104e+00 -3.704908080e+00 2.50 -3.374073846e+00 -3.714097880e+00 -3.726340311e+00 2.52 -3.322325133e+00 -3.712765814e+00 -3.740357366e+00 2.54 -3.267582043e+00 -3.705320007e+00 -3.747519358e+00 2.56 -3.210038614e+00 -3.691466554e+00 -3.748371611e+00 2.58 -3.150124695e+00 -3.671818101e+00 -3.743347688e+00 2.60 -3.089199130e+00 -3.646895191e+00 -3.732533982e+00 2.62 -3.027652636e+00 -3.617224269e+00 -3.716259779e+00 2.64 -2.965752541e+00 -3.583852506e+00 -3.694872348e+00 2.66 -2.903755136e+00 -3.547042450e+00 -3.668949627e+00 2.68 -2.841947070e+00 -3.507091590e+00 -3.638845604e+00 2.70 -2.780657854e+00 -3.464280019e+00 -3.604991995e+00 2.72 -2.719823944e+00 -3.418862743e+00 -3.568407304e+00 2.74 -2.659625690e+00 -3.370972000e+00 -3.529457472e+00 2.76 -2.600324955e+00 -3.320559650e+00 -3.488452719e+00 2.78 -2.541975577e+00 -3.267740487e+00 -3.445713973e+00 2.80 -2.483847099e+00 -3.212474580e+00 -3.401552603e+00 2.82 -2.425877333e+00 -3.155339619e+00 -3.356252106e+00 2.84 -2.367830813e+00 -3.097253726e+00 -3.309564331e+00 2.86 -2.309659989e+00 -3.038402662e+00 -3.260768829e+00 2.88 -2.251493009e+00 -2.978939148e+00 -3.209581884e+00 2.90 -2.193871892e+00 -2.919002110e+00 -3.156691433e+00 2.92 -2.136900320e+00 -2.858738386e+00 -3.102860430e+00 2.94 -2.080624859e+00 -2.798485024e+00 -3.048246938e+00 2.96 -2.025085371e+00 -2.738399494e+00 -2.992995808e+00 2.98 -1.970315522e+00 -2.678569272e+00 -2.937240887e+00 3.00 -1.916343167e+00 -2.619090753e+00 -2.881105195e+00 3.02 -1.863190707e+00 -2.560052304e+00 -2.824779887e+00 3.04 -1.810875417e+00 -2.501534824e+00 -2.768583533e+00 3.06 -1.759409721e+00 -2.443612338e+00 -2.712607881e+00 3.08 -1.708801454e+00 -2.386352536e+00 -2.656951362e+00 3.10 -1.659054063e+00 -2.329817426e+00 -2.601712520e+00 3.12 -1.610166793e+00 -2.274091231e+00 -2.546985017e+00 3.14 -1.562133038e+00 -2.219401233e+00 -2.492854544e+00 3.16 -1.514872375e+00 -2.166045967e+00 -2.439273644e+00 3.18 -1.468351048e+00 -2.114070628e+00 -2.385910618e+00 3.20 -1.422718419e+00 -2.063329613e+00 -2.332772479e+00 3.22 -1.377826211e+00 -2.013850489e+00 -2.279729284e+00 3.24 -1.333558039e+00 -1.965699447e+00 -2.226999566e+00 3.26 -1.289868004e+00 -1.918971394e+00 -2.174845646e+00 3.28 -1.246688458e+00 -1.873743740e+00 -2.123301437e+00 3.30 -1.204281413e+00 -1.829980015e+00 -2.072397061e+00 3.32 -1.163505829e+00 -1.787242183e+00 -2.022159100e+00 3.34 -1.124434244e+00 -1.744928998e+00 -1.972610854e+00 3.36 -1.087100803e+00 -1.702876065e+00 -1.923772602e+00 3.38 -1.051274433e+00 -1.661025575e+00 -1.875661833e+00 3.40 -1.016561796e+00 -1.619395981e+00 -1.828293479e+00 3.42 -9.829588073e-01 -1.577957982e+00 -1.781680116e+00 3.44 -9.504633593e-01 -1.536673527e+00 -1.735832173e+00 3.46 -9.190744327e-01 -1.495591658e+00 -1.690758113e+00 3.48 -8.887916947e-01 -1.454887537e+00 -1.646464622e+00 3.50 -8.596311287e-01 -1.414515247e+00 -1.602956756e+00 3.52 -8.316198711e-01 -1.374405694e+00 -1.560238010e+00 3.54 -8.045513419e-01 -1.334499470e+00 -1.518311892e+00 3.56 -7.782632479e-01 -1.294786121e+00 -1.477324452e+00 3.58 -7.527338880e-01 -1.255479532e+00 -1.437451245e+00 3.60 -7.279552487e-01 -1.216585246e+00 -1.398677940e+00 3.62 -7.039219595e-01 -1.178561773e+00 -1.361005131e+00 3.64 -6.806218186e-01 -1.141593513e+00 -1.324407280e+00 3.66 -6.580429224e-01 -1.105681942e+00 -1.288501751e+00 3.68 -6.361737219e-01 -1.070828636e+00 -1.252885753e+00 3.70 -6.149912370e-01 -1.037035792e+00 -1.217347662e+00 3.72 -5.943877871e-01 -1.004306420e+00 -1.182543988e+00 3.74 -5.743094606e-01 -9.726445346e-01 -1.148491688e+00 3.76 -5.547520558e-01 -9.420553634e-01 -1.115208614e+00 3.78 -5.356966130e-01 -9.125455524e-01 -1.082687753e+00 3.80 -5.171236046e-01 -8.841233833e-01 -1.050921278e+00 3.82 -4.990130364e-01 -8.567990000e-01 -1.019900823e+00 3.84 -4.813444021e-01 -8.305845654e-01 -9.896175378e-01 3.86 -4.640966315e-01 -8.054617659e-01 -9.600621412e-01 3.88 -4.472480264e-01 -7.811517980e-01 -9.312249595e-01 3.90 -4.307761919e-01 -7.575859589e-01 -9.030959753e-01 3.92 -4.146579501e-01 -7.347524514e-01 -8.756648646e-01 3.94 -3.988692256e-01 -7.125419024e-01 -8.489210355e-01 3.96 -3.833846258e-01 -6.908569288e-01 -8.228536620e-01 3.98 -3.682078093e-01 -6.697078527e-01 -7.974517191e-01 4.00 -3.534667720e-01 -6.490823696e-01 -7.727040095e-01 4.02 -3.391689724e-01 -6.289664699e-01 -7.485991952e-01 4.04 -3.252984616e-01 -6.093458939e-01 -7.251258211e-01 4.06 -3.118401849e-01 -5.902061274e-01 -7.022723415e-01 4.08 -2.987929167e-01 -5.715323854e-01 -6.800271396e-01 4.10 -2.861875147e-01 -5.533096006e-01 -6.583785512e-01 4.12 -2.740158560e-01 -5.355224002e-01 -6.373148812e-01 4.14 -2.622579802e-01 -5.181550856e-01 -6.168244231e-01 4.16 -2.509020807e-01 -5.011916031e-01 -5.968954724e-01 4.18 -2.399366192e-01 -4.846155120e-01 -5.775163439e-01 4.20 -2.293503419e-01 -4.684099464e-01 -5.586753830e-01 4.22 -2.191322684e-01 -4.525575697e-01 -5.403609788e-01 4.24 -2.092717007e-01 -4.370405240e-01 -5.225615731e-01 4.26 -1.997582183e-01 -4.218403707e-01 -5.052656718e-01 4.28 -1.905816826e-01 -4.069380553e-01 -4.884618516e-01 4.30 -1.817322325e-01 -3.923132310e-01 -4.721387698e-01 4.32 -1.732002826e-01 -3.779631356e-01 -4.562851670e-01 4.34 -1.649765237e-01 -3.639242642e-01 -4.408898738e-01 4.36 -1.570519209e-01 -3.502699333e-01 -4.259418145e-01 4.38 -1.494177115e-01 -3.369982792e-01 -4.114300089e-01 4.40 -1.420654033e-01 -3.240970245e-01 -3.973435755e-01 4.42 -1.349867739e-01 -3.115540674e-01 -3.836717988e-01 4.44 -1.281738709e-01 -2.993897051e-01 -3.704012938e-01 4.46 -1.216190103e-01 -2.876159663e-01 -3.575471091e-01 4.48 -1.153147660e-01 -2.762186717e-01 -3.451004388e-01 4.50 -1.092539622e-01 -2.651844858e-01 -3.330494105e-01 4.52 -1.034296854e-01 -2.545039511e-01 -3.213830914e-01 4.54 -9.783530310e-02 -2.441677788e-01 -3.100749108e-01 4.56 -9.246439993e-02 -2.341668963e-01 -2.990742502e-01 4.58 -8.731085540e-02 -2.244924407e-01 -2.884096372e-01 4.60 -8.236878611e-02 -2.151357564e-01 -2.780838033e-01 4.62 -7.763256478e-02 -2.060883931e-01 -2.680801923e-01 4.64 -7.309678514e-02 -1.973421098e-01 -2.583898621e-01 4.66 -6.875633450e-02 -1.888888798e-01 -2.490043665e-01 4.68 -6.460628282e-02 -1.807208812e-01 -2.399154284e-01 4.70 -6.064204764e-02 -1.728304989e-01 -2.311149374e-01 4.72 -5.685908573e-02 -1.652103242e-01 -2.225949545e-01 4.74 -5.325353021e-02 -1.578531542e-01 -2.143477109e-01 4.76 -4.982091647e-02 -1.507519905e-01 -2.063656033e-01 4.78 -4.655832863e-02 -1.439000373e-01 -1.986411989e-01 4.80 -4.346156858e-02 -1.372907040e-01 -1.911672340e-01 4.82 -4.052777251e-02 -1.309176030e-01 -1.839366078e-01 4.84 -3.775454756e-02 -1.247745496e-01 -1.769423844e-01 4.86 -3.513775673e-02 -1.188555517e-01 -1.701777910e-01 4.88 -3.267636875e-02 -1.131548047e-01 -1.636362169e-01 4.90 -3.036841726e-02 -1.076667225e-01 -1.573112106e-01 4.92 -2.820958687e-02 -1.023859111e-01 -1.511964754e-01 4.94 -2.619881936e-02 -9.730711041e-02 -1.452858681e-01 4.96 -2.433492757e-02 -9.242537644e-02 -1.395734109e-01 4.98 -2.261658462e-02 -8.773584518e-02 -1.340532833e-01 5.00 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