# 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 = Ni3Zr # 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 1.770238847e+02 nan nan 1.16 1.616018578e+02 nan nan 1.18 1.474963356e+02 nan nan 1.20 1.345897985e+02 nan nan 1.22 1.227755706e+02 nan nan 1.24 1.119544583e+02 nan nan 1.26 1.020356540e+02 nan nan 1.28 9.293890664e+01 1.510749358e+02 1.757269287e+02 1.30 8.459429701e+01 1.388687528e+02 1.619554013e+02 1.32 7.693978609e+01 1.276114323e+02 1.492311214e+02 1.34 6.991879473e+01 1.172204193e+02 1.374740513e+02 1.36 6.347915908e+01 1.076238032e+02 1.266119412e+02 1.38 5.757298554e+01 9.876035311e+01 1.165773215e+02 1.40 5.215640513e+01 9.057692096e+01 1.073060550e+02 1.42 4.718883831e+01 8.302508399e+01 9.873728267e+01 1.44 4.263220325e+01 7.605873863e+01 9.081393431e+01 1.46 3.845052719e+01 6.963319613e+01 8.348332131e+01 1.48 3.461049502e+01 6.370539330e+01 7.669729795e+01 1.50 3.108245641e+01 5.823444765e+01 7.041211375e+01 1.52 2.784078649e+01 5.318226669e+01 6.458827944e+01 1.54 2.486336325e+01 4.851406325e+01 5.919056678e+01 1.56 2.213057102e+01 4.419853420e+01 5.418793628e+01 1.58 1.962430807e+01 4.020760915e+01 4.955295200e+01 1.60 1.732781563e+01 3.651601643e+01 4.526080892e+01 1.62 1.522428606e+01 3.310097709e+01 4.128835707e+01 1.64 1.329717261e+01 2.994202056e+01 3.761334122e+01 1.66 1.153093262e+01 2.702069294e+01 3.421403463e+01 1.68 9.911541487e+00 2.432010076e+01 3.106924946e+01 1.70 8.426671905e+00 2.182451048e+01 2.815857056e+01 1.72 7.065545098e+00 1.951902912e+01 2.546281489e+01 1.74 5.818610304e+00 1.738992741e+01 2.296450493e+01 1.76 4.677244029e+00 1.542394974e+01 2.064815475e+01 1.78 3.633599847e+00 1.360842260e+01 1.850029360e+01 1.80 2.680551383e+00 1.193178009e+01 1.650941558e+01 1.82 1.811582243e+00 1.038372065e+01 1.466468972e+01 1.84 1.020671750e+00 8.955080351e+00 1.295611314e+01 1.86 3.021275931e-01 7.637634007e+00 1.137437531e+01 1.88 -3.495238786e-01 6.423850639e+00 9.910809754e+00 1.90 -9.395847594e-01 5.306694104e+00 8.557373941e+00 1.92 -1.473160290e+00 4.279474204e+00 7.306594287e+00 1.94 -1.955044738e+00 3.335775619e+00 6.151525997e+00 1.96 -2.389644253e+00 2.469441506e+00 5.085659960e+00 1.98 -2.780953116e+00 1.674648887e+00 4.102852611e+00 2.00 -3.132594129e+00 9.460014593e-01 3.197286527e+00 2.02 -3.447875432e+00 2.785746589e-01 2.363485397e+00 2.04 -3.729831054e+00 -3.321007868e-01 1.596387375e+00 2.06 -3.981217752e+00 -8.900986323e-01 8.913909458e-01 2.08 -4.204530108e+00 -1.399171843e+00 2.443422117e-01 2.10 -4.402012084e+00 -1.862803919e+00 -3.485873373e-01 2.12 -4.575679497e+00 -2.284230588e+00 -8.910212742e-01 2.14 -4.727347767e+00 -2.666444085e+00 -1.386448309e+00 2.16 -4.858663356e+00 -3.012186444e+00 -1.838228601e+00 2.18 -4.971151446e+00 -3.323973205e+00 -2.249569430e+00 2.20 -5.066239089e+00 -3.604139078e+00 -2.623532916e+00 2.22 -5.145294079e+00 -3.854910595e+00 -2.963011065e+00 2.24 -5.209694060e+00 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-4.943089104e+00 -5.394604541e+00 -5.418011953e+00 2.62 -4.888360284e+00 -5.383051804e+00 -5.423012694e+00 2.64 -4.831110414e+00 -5.365873248e+00 -5.422184586e+00 2.66 -4.771252544e+00 -5.343348101e+00 -5.416244267e+00 2.68 -4.708774809e+00 -5.315812195e+00 -5.405617568e+00 2.70 -4.643732520e+00 -5.283659418e+00 -5.390567262e+00 2.72 -4.576242002e+00 -5.247337369e+00 -5.371303934e+00 2.74 -4.506473991e+00 -5.207337595e+00 -5.348010298e+00 2.76 -4.434644221e+00 -5.164171301e+00 -5.320860764e+00 2.78 -4.360998136e+00 -5.118336570e+00 -5.290040642e+00 2.80 -4.285800152e+00 -5.070284368e+00 -5.255762991e+00 2.82 -4.209304859e+00 -5.020302251e+00 -5.218266632e+00 2.84 -4.131750143e+00 -4.968590230e+00 -5.177812010e+00 2.86 -4.053347090e+00 -4.915251923e+00 -5.134668990e+00 2.88 -3.974279124e+00 -4.860213582e+00 -5.089103346e+00 2.90 -3.894706344e+00 -4.803397531e+00 -5.041365111e+00 2.92 -3.814768805e+00 -4.744756745e+00 -4.991614194e+00 2.94 -3.734606487e+00 -4.684273789e+00 -4.939767957e+00 2.96 -3.654341282e+00 -4.621958364e+00 -4.885726626e+00 2.98 -3.574094667e+00 -4.557843772e+00 -4.829444327e+00 3.00 -3.493983160e+00 -4.491982971e+00 -4.770899551e+00 3.02 -3.414116882e+00 -4.424445002e+00 -4.710110454e+00 3.04 -3.334597789e+00 -4.355310252e+00 -4.647128630e+00 3.06 -3.255518343e+00 -4.284677955e+00 -4.582039218e+00 3.08 -3.176961114e+00 -4.212651750e+00 -4.514962181e+00 3.10 -3.098999463e+00 -4.139350397e+00 -4.446054033e+00 3.12 -3.021699067e+00 -4.064903694e+00 -4.375508721e+00 3.14 -2.945119717e+00 -3.989461576e+00 -4.303555940e+00 3.16 -2.869316708e+00 -3.913179370e+00 -4.230455290e+00 3.18 -2.794341313e+00 -3.836226024e+00 -4.156485555e+00 3.20 -2.720240196e+00 -3.758778774e+00 -4.081928596e+00 3.22 -2.647054133e+00 -3.681020295e+00 -4.007058314e+00 3.24 -2.574816659e+00 -3.603136210e+00 -3.932116891e+00 3.26 -2.503553167e+00 -3.525313070e+00 -3.857310392e+00 3.28 -2.433280724e+00 -3.447736335e+00 -3.782802293e+00 3.30 -2.364008450e+00 -3.370587447e+00 -3.708714232e+00 3.32 -2.295738221e+00 -3.294039291e+00 -3.635130741e+00 3.34 -2.228465457e+00 -3.218250021e+00 -3.562105880e+00 3.36 -2.162179982e+00 -3.143356184e+00 -3.489670034e+00 3.38 -2.096867073e+00 -3.069466683e+00 -3.417835743e+00 3.40 -2.032508912e+00 -2.996657918e+00 -3.346602190e+00 3.42 -1.969082685e+00 -2.924977902e+00 -3.275958450e+00 3.44 -1.906579552e+00 -2.854441030e+00 -3.205885947e+00 3.46 -1.844981436e+00 -2.785037974e+00 -3.136360648e+00 3.48 -1.784282654e+00 -2.716739823e+00 -3.067355477e+00 3.50 -1.724487742e+00 -2.649503849e+00 -2.998839943e+00 3.52 -1.665613850e+00 -2.583278791e+00 -2.930798040e+00 3.54 -1.607692620e+00 -2.518009361e+00 -2.863210067e+00 3.56 -1.550771578e+00 -2.453639884e+00 -2.796073182e+00 3.58 -1.494914987e+00 -2.390117089e+00 -2.729401344e+00 3.60 -1.440203834e+00 -2.327392152e+00 -2.663228424e+00 3.62 -1.386734323e+00 -2.265422108e+00 -2.597609384e+00 3.64 -1.334614116e+00 -2.204170797e+00 -2.532618931e+00 3.66 -1.283955828e+00 -2.143609558e+00 -2.468347459e+00 3.68 -1.234868041e+00 -2.083717909e+00 -2.404894652e+00 3.70 -1.187444943e+00 -2.024484448e+00 -2.342361735e+00 3.72 -1.141756405e+00 -1.965908169e+00 -2.280843682e+00 3.74 -1.097840412e+00 -1.908000258e+00 -2.220422716e+00 3.76 -1.055699313e+00 -1.850786263e+00 -2.161164015e+00 3.78 -1.015300430e+00 -1.794308305e+00 -2.103113958e+00 3.80 -9.765806252e-01 -1.738626803e+00 -2.046300626e+00 3.82 -9.394537454e-01 -1.683821021e+00 -1.990735903e+00 3.84 -9.038195366e-01 -1.629987738e+00 -1.936418394e+00 3.86 -8.695727352e-01 -1.577237539e+00 -1.883336484e+00 3.88 -8.366113109e-01 -1.525688634e+00 -1.831471086e+00 3.90 -8.048431961e-01 -1.475458656e+00 -1.780797836e+00 3.92 -7.741896084e-01 -1.426654040e+00 -1.731285897e+00 3.94 -7.445942662e-01 -1.379367165e+00 -1.682910741e+00 3.96 -7.160140023e-01 -1.333659779e+00 -1.635636218e+00 3.98 -6.884247350e-01 -1.289565343e+00 -1.589427952e+00 4.00 -6.618166519e-01 -1.247086092e+00 -1.544249931e+00 4.02 -6.361899961e-01 -1.206194864e+00 -1.500064465e+00 4.04 -6.115500909e-01 -1.166839192e+00 -1.456832075e+00 4.06 -5.879022552e-01 -1.128946719e+00 -1.414511382e+00 4.08 -5.652472647e-01 -1.092431013e+00 -1.373059008e+00 4.10 -5.435778994e-01 -1.057192964e+00 -1.332429552e+00 4.12 -5.228769026e-01 -1.023142628e+00 -1.292575654e+00 4.14 -5.031164173e-01 -9.901759096e-01 -1.253448193e+00 4.16 -4.842587280e-01 -9.581963907e-01 -1.214996652e+00 4.18 -4.662579753e-01 -9.271122323e-01 -1.177169706e+00 4.20 -4.490624455e-01 -8.968375425e-01 -1.139916061e+00 4.22 -4.326170594e-01 -8.672933631e-01 -1.103185610e+00 4.24 -4.168657692e-01 -8.384084723e-01 -1.066930932e+00 4.26 -4.017536749e-01 -8.101201558e-01 -1.031109160e+00 4.28 -3.872285814e-01 -7.823750509e-01 -9.956842171e-01 4.30 -3.732425930e-01 -7.551301021e-01 -9.606293533e-01 4.32 -3.597534693e-01 -7.283536103e-01 -9.259298864e-01 4.34 -3.467246504e-01 -7.020262882e-01 -8.915859393e-01 4.36 -3.341235304e-01 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-1.708317396e-01 -3.264652781e-01 -3.947159646e-01 4.74 -1.649523017e-01 -3.147684034e-01 -3.799766955e-01 4.76 -1.593285487e-01 -3.037165843e-01 -3.661568427e-01 4.78 -1.539443721e-01 -2.932585400e-01 -3.531766518e-01 4.80 -1.487844013e-01 -2.833419673e-01 -3.409600415e-01 4.82 -1.438341558e-01 -2.739276020e-01 -3.294358866e-01 4.84 -1.390801254e-01 -2.649689075e-01 -3.185392487e-01 4.86 -1.345097934e-01 -2.564268215e-01 -3.082110873e-01 4.88 -1.301116167e-01 -2.482659324e-01 -2.983982826e-01 4.90 -1.258749774e-01 -2.404543488e-01 -2.890534505e-01 4.92 -1.217901140e-01 -2.329634791e-01 -2.801345960e-01 4.94 -1.178480422e-01 -2.257677574e-01 -2.716046759e-01 4.96 -1.140404710e-01 -2.188443467e-01 -2.634311188e-01 4.98 -1.103597186e-01 -2.121728373e-01 -2.555853385e-01 5.00 -1.067986305e-01 -2.057349555e-01 -2.480422639e-01 5.02 -1.033505028e-01 -1.995142926e-01 -2.407798991e-01 5.04 -1.000090108e-01 -1.934960568e-01 -2.337789211e-01 5.06 -9.676814318e-02 -1.876668536e-01 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-1.051061017e-01 -1.356188807e-01 5.44 -4.727175553e-02 -1.014608474e-01 -1.318129020e-01 5.46 -4.496863571e-02 -9.791178406e-02 -1.281111211e-01 5.48 -4.267273715e-02 -9.446229846e-02 -1.245100839e-01 5.50 -4.038471330e-02 -9.111585919e-02 -1.210064263e-01 5.52 -3.810658351e-02 -8.787573329e-02 -1.175968597e-01 5.54 -3.584183422e-02 -8.474470990e-02 -1.142765372e-01 5.56 -3.359546406e-02 -8.172485533e-02 -1.110457709e-01 5.58 -3.137395489e-02 -7.881731995e-02 -1.078995266e-01 5.60 -2.918515478e-02 -7.602211197e-02 -1.048347069e-01 5.62 -2.703806577e-02 -7.333818934e-02 -1.018482337e-01 5.64 -2.494253821e-02 -7.076357820e-02 -9.893703848e-02 5.66 -2.290888416e-02 -6.829526649e-02 -9.609805334e-02 5.68 -2.094743323e-02 -6.592933374e-02 -9.332820215e-02 5.70 -1.906791724e-02 -6.366111140e-02 -9.062439239e-02 5.72 -1.727907741e-02 -6.148535592e-02 -8.798350741e-02 5.74 -1.558873331e-02 -5.939641982e-02 -8.540239942e-02 5.76 -1.400304335e-02 -5.738840972e-02 -8.287788350e-02 5.78 -1.252627537e-02 -5.545532404e-02 -8.040673276e-02 5.80 -1.116071352e-02 -5.359116691e-02 -7.798567519e-02 5.82 -9.906683872e-03 -5.179003757e-02 -7.561139253e-02 5.84 -8.762684516e-03 -5.004619709e-02 -7.328052183e-02 5.86 -7.725597463e-03 -4.835411552e-02 -7.098966021e-02 5.88 -6.790955604e-03 -4.670850334e-02 -6.873537380e-02 5.90 -5.953237312e-03 -4.510433150e-02 -6.651421144e-02 5.92 -5.206164217e-03 -4.353684394e-02 -6.432272440e-02 5.94 -4.542982523e-03 -4.200156667e-02 -6.215749287e-02 5.96 -3.956714020e-03 -4.049431631e-02 -6.001516035e-02 5.98 -3.440368560e-03 -3.901121116e-02 -5.789247689e-02 6.00 -2.987114798e-03 -3.754868678e-02 -5.578635197e-02