# 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 = Fe3Pb # 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 3.076129513e+02 nan nan 1.16 2.807235866e+02 nan nan 1.18 2.561848116e+02 nan nan 1.20 2.337758643e+02 nan nan 1.22 2.133044676e+02 nan nan 1.24 1.946023518e+02 nan nan 1.26 1.775192459e+02 nan nan 1.28 1.619170514e+02 2.618190489e+02 3.036267809e+02 1.30 1.476663541e+02 2.406616091e+02 2.796707838e+02 1.32 1.346457267e+02 2.212114420e+02 2.576330409e+02 1.34 1.227425863e+02 2.033219882e+02 2.373490712e+02 1.36 1.118541643e+02 1.868599232e+02 2.186681371e+02 1.38 1.018879133e+02 1.717042949e+02 2.014533112e+02 1.40 9.276129498e+01 1.577457322e+02 1.855812147e+02 1.42 8.440104907e+01 1.448856643e+02 1.709410340e+02 1.44 7.674204617e+01 1.330353482e+02 1.574329597e+02 1.46 6.972578369e+01 1.221146541e+02 1.449664610e+02 1.48 6.329894579e+01 1.120507947e+02 1.334586793e+02 1.50 5.741251967e+01 1.027771598e+02 1.228333146e+02 1.52 5.202363416e+01 9.423231683e+01 1.130200789e+02 1.54 4.709933340e+01 8.635917183e+01 1.039544840e+02 1.56 4.260156221e+01 7.910436172e+01 9.557760788e+01 1.58 3.849467694e+01 7.241798433e+01 8.783567488e+01 1.60 3.474576232e+01 6.625362185e+01 8.067954292e+01 1.62 3.132421428e+01 6.056851599e+01 7.406418649e+01 1.64 2.820149974e+01 5.532364308e+01 6.794818900e+01 1.66 2.535104997e+01 5.048613267e+01 6.229329277e+01 1.68 2.274823343e+01 4.603202689e+01 5.706405191e+01 1.70 2.037034535e+01 4.193218849e+01 5.222762930e+01 1.72 1.819657346e+01 3.815930552e+01 4.775994648e+01 1.74 1.620794845e+01 3.468808880e+01 4.363529789e+01 1.76 1.438731002e+01 3.149499275e+01 3.982739997e+01 1.78 1.271932043e+01 2.855808468e+01 3.631217093e+01 1.80 1.119047473e+01 2.585701600e+01 3.306750516e+01 1.82 9.789027105e+00 2.337304222e+01 3.007304550e+01 1.84 8.504782456e+00 2.108900523e+01 2.730999652e+01 1.86 7.328775500e+00 1.898924437e+01 2.476095697e+01 1.88 6.252931108e+00 1.705944531e+01 2.240978788e+01 1.90 5.269790288e+00 1.528644452e+01 2.024149663e+01 1.92 4.372340164e+00 1.365803277e+01 1.824214599e+01 1.94 3.553948894e+00 1.216278713e+01 1.639880043e+01 1.96 2.808352871e+00 1.078993703e+01 1.469948789e+01 1.98 2.129670776e+00 9.529290127e+00 1.313317721e+01 2.00 1.512415944e+00 8.371218503e+00 1.168974301e+01 2.02 9.515014673e-01 7.306706914e+00 1.035991300e+01 2.04 4.422339433e-01 6.327441914e+00 9.135198502e+00 2.06 -1.969484260e-02 5.425906177e+00 8.007816502e+00 2.08 -4.382291302e-01 4.595433754e+00 6.970621960e+00 2.10 -8.169729024e-01 3.830200216e+00 6.017039081e+00 2.12 -1.159217544e+00 3.125143318e+00 5.141001220e+00 2.14 -1.467969830e+00 2.475834760e+00 4.336893227e+00 2.16 -1.745977588e+00 1.878340188e+00 3.599497316e+00 2.18 -1.995755510e+00 1.329094250e+00 2.923944079e+00 2.20 -2.219601606e+00 8.248050191e-01 2.305661683e+00 2.22 -2.419617467e+00 3.623929719e-01 1.740341706e+00 2.24 -2.597721906e+00 -6.104317807e-02 1.223896873e+00 2.26 -2.755662502e+00 -4.482415416e-01 7.524343996e-01 2.28 -2.895024927e+00 -8.017853361e-01 3.222409974e-01 2.30 -3.017241270e+00 -1.124100651e+00 -7.021667890e-02 2.32 -3.123600862e+00 -1.417464488e+00 -4.282727905e-01 2.34 -3.215267469e+00 -1.684001019e+00 -7.550313067e-01 2.36 -3.293306973e+00 -1.925687989e+00 -1.053332255e+00 2.38 -3.358666204e+00 -2.144357965e+00 -1.325730353e+00 2.40 -3.412224145e+00 -2.341700949e+00 -1.574487265e+00 2.42 -3.454806207e+00 -2.519268660e+00 -1.801589585e+00 2.44 -3.487186502e+00 -2.678481644e+00 -2.008779644e+00 2.46 -3.510087508e+00 -2.820640445e+00 -2.197594888e+00 2.48 -3.524144992e+00 -2.946940196e+00 -2.369407522e+00 2.50 -3.529478643e+00 -3.058487279e+00 -2.525459361e+00 2.52 -3.525926624e+00 -3.156315759e+00 -2.666888449e+00 2.54 -3.513431259e+00 -3.241401983e+00 -2.794748082e+00 2.56 -3.492050093e+00 -3.314684109e+00 -2.910018522e+00 2.58 -3.461967424e+00 -3.377033372e+00 -3.013613473e+00 2.60 -3.423511801e+00 -3.429273482e+00 -3.106383048e+00 2.62 -3.377169065e+00 -3.472185179e+00 -3.189124145e+00 2.64 -3.323609522e+00 -3.506502730e+00 -3.262559703e+00 2.66 -3.263677615e+00 -3.532905509e+00 -3.327338540e+00 2.68 -3.198209207e+00 -3.552017914e+00 -3.384052682e+00 2.70 -3.128128746e+00 -3.564359238e+00 -3.433234545e+00 2.72 -3.054398862e+00 -3.570027716e+00 -3.475355339e+00 2.74 -2.977950437e+00 -3.568964522e+00 -3.510824252e+00 2.76 -2.899593479e+00 -3.561176678e+00 -3.539989187e+00 2.78 -2.819965417e+00 -3.546738656e+00 -3.563027488e+00 2.80 -2.739553176e+00 -3.525794536e+00 -3.579772632e+00 2.82 -2.658697779e+00 -3.498556768e+00 -3.590047881e+00 2.84 -2.577619633e+00 -3.465306116e+00 -3.593731965e+00 2.86 -2.496455846e+00 -3.426442665e+00 -3.590757800e+00 2.88 -2.415303294e+00 -3.382313706e+00 -3.581112817e+00 2.90 -2.334259118e+00 -3.333244738e+00 -3.564838950e+00 2.92 -2.253450835e+00 -3.279609660e+00 -3.542030879e+00 2.94 -2.173059650e+00 -3.221804323e+00 -3.512831735e+00 2.96 -2.093314885e+00 -3.160218293e+00 -3.477435819e+00 2.98 -2.014489355e+00 -3.095189603e+00 -3.436109374e+00 3.00 -1.936877028e+00 -3.027016918e+00 -3.389024705e+00 3.02 -1.860767606e+00 -2.955969802e+00 -3.336364558e+00 3.04 -1.786421878e+00 -2.882285074e+00 -3.278331941e+00 3.06 -1.714052361e+00 -2.806172809e+00 -3.215143140e+00 3.08 -1.643811966e+00 -2.727819398e+00 -3.147020798e+00 3.10 -1.575791475e+00 -2.647402465e+00 -3.074166473e+00 3.12 -1.510024859e+00 -2.565103143e+00 -2.996787144e+00 3.14 -1.446500399e+00 -2.481124713e+00 -2.915124771e+00 3.16 -1.385175018e+00 -2.395702006e+00 -2.829469976e+00 3.18 -1.325989306e+00 -2.309118124e+00 -2.740177368e+00 3.20 -1.268881103e+00 -2.221712446e+00 -2.647679874e+00 3.22 -1.213796125e+00 -2.133884312e+00 -2.552500769e+00 3.24 -1.160694828e+00 -2.046090242e+00 -2.455256129e+00 3.26 -1.109555301e+00 -1.958834270e+00 -2.356651050e+00 3.28 -1.060372566e+00 -1.872651762e+00 -2.257463639e+00 3.30 -1.013154982e+00 -1.788087943e+00 -2.158518939e+00 3.32 -9.679187579e-01 -1.705673123e+00 -2.060654529e+00 3.34 -9.246815671e-01 -1.625897198e+00 -1.964681587e+00 3.36 -8.834562503e-01 -1.549186268e+00 -1.871346212e+00 3.38 -8.442453816e-01 -1.475883983e+00 -1.781295843e+00 3.40 -8.070372516e-01 -1.406239205e+00 -1.695054709e+00 3.42 -7.718022303e-01 -1.340402871e+00 -1.613010565e+00 3.44 -7.384978742e-01 -1.278428749e+00 -1.535412997e+00 3.46 -7.070610414e-01 -1.220283939e+00 -1.462381828e+00 3.48 -6.774165418e-01 -1.165861876e+00 -1.393922935e+00 3.50 -6.494784970e-01 -1.114998143e+00 -1.329947017e+00 3.52 -6.231536501e-01 -1.067486859e+00 -1.270296219e+00 3.54 -5.983445067e-01 -1.023096196e+00 -1.214755855e+00 3.56 -5.749520270e-01 -9.815820489e-01 -1.163078049e+00 3.58 -5.528774556e-01 -9.426993385e-01 -1.114994687e+00 3.60 -5.320240163e-01 -9.062107894e-01 -1.070228917e+00 3.62 -5.122995900e-01 -8.718932973e-01 -1.028504003e+00 3.64 -4.936161711e-01 -8.395421204e-01 -9.895500475e-01 3.66 -4.758906103e-01 -8.089732023e-01 -9.531090078e-01 3.68 -4.590452679e-01 -7.800239295e-01 -9.189383341e-01 3.70 -4.430084631e-01 -7.525526107e-01 -8.868134153e-01 3.72 -4.277147127e-01 -7.264369546e-01 -8.565289893e-01 3.74 -4.131047593e-01 -7.015718209e-01 -8.278996518e-01 3.76 -3.991254104e-01 -6.778665254e-01 -8.007596123e-01 3.78 -3.857292228e-01 -6.552420201e-01 -7.749618652e-01 3.80 -3.728740769e-01 -6.336282180e-01 -7.503769427e-01 3.82 -3.605226863e-01 -6.129616820e-01 -7.268914085e-01 3.84 -3.486420788e-01 -5.931838451e-01 -7.044062262e-01 3.86 -3.372030831e-01 -5.742398094e-01 -6.828351084e-01 3.88 -3.261798399e-01 -5.560769057e-01 -6.621029235e-01 3.90 -3.155493528e-01 -5.386461251e-01 -6.421442093e-01 3.92 -3.052906910e-01 -5.219012699e-01 -6.229010537e-01 3.94 -2.953862880e-01 -5.058001129e-01 -6.043251221e-01 3.96 -2.858190254e-01 -4.903016200e-01 -5.863715190e-01 3.98 -2.765738071e-01 -4.753683776e-01 -5.690014702e-01 4.00 -2.676368468e-01 -4.609660971e-01 -5.521806062e-01 4.02 -2.589954790e-01 -4.470635808e-01 -5.358783215e-01 4.04 -2.506380002e-01 -4.336325900e-01 -5.200672506e-01 4.06 -2.425535362e-01 -4.206476444e-01 -5.047228449e-01 4.08 -2.347319310e-01 -4.080857811e-01 -4.898230417e-01 4.10 -2.271636539e-01 -3.959249789e-01 -4.753480111e-01 4.12 -2.198397226e-01 -3.841494073e-01 -4.612799721e-01 4.14 -2.127516380e-01 -3.727405124e-01 -4.476030637e-01 4.16 -2.058913308e-01 -3.616828764e-01 -4.343032556e-01 4.18 -1.992511153e-01 -3.509624009e-01 -4.213682828e-01 4.20 -1.928236520e-01 -3.405661266e-01 -4.087875870e-01 4.22 -1.866019148e-01 -3.304820767e-01 -3.965522412e-01 4.24 -1.805791639e-01 -3.206991222e-01 -3.846548419e-01 4.26 -1.747489223e-01 -3.112068672e-01 -3.730893487e-01 4.28 -1.691049557e-01 -3.019955513e-01 -3.618508655e-01 4.30 -1.636412550e-01 -2.930559678e-01 -3.509352737e-01 4.32 -1.583520216e-01 -2.843793944e-01 -3.403386945e-01 4.34 -1.532316535e-01 -2.759575349e-01 -3.300579703e-01 4.36 -1.482740686e-01 -2.677824705e-01 -3.200898050e-01 4.38 -1.434754710e-01 -2.598466184e-01 -3.104303602e-01 4.40 -1.388299815e-01 -2.521426974e-01 -3.010750131e-01 4.42 -1.343326825e-01 -2.446636979e-01 -2.920182078e-01 4.44 -1.299788038e-01 -2.374028572e-01 -2.832534089e-01 4.46 -1.257637151e-01 -2.303536379e-01 -2.747731495e-01 4.48 -1.216829190e-01 -2.235097091e-01 -2.665691560e-01 4.50 -1.177320446e-01 -2.168649303e-01 -2.586325254e-01 4.52 -1.139062826e-01 -2.104133375e-01 -2.509523847e-01 4.54 -1.102027059e-01 -2.041491302e-01 -2.435225289e-01 4.56 -1.066166154e-01 -1.980666599e-01 -2.363315253e-01 4.58 -1.031440854e-01 -1.921604207e-01 -2.293699234e-01 4.60 -9.978128503e-02 -1.864250391e-01 -2.226285240e-01 4.62 -9.652447271e-02 -1.808552658e-01 -2.160984711e-01 4.64 -9.336999009e-02 -1.754459677e-01 -2.097713113e-01 4.66 -9.031425628e-02 -1.701921205e-01 -2.036390261e-01 4.68 -8.735376190e-02 -1.650888016e-01 -1.976940431e-01 4.70 -8.448506310e-02 -1.601311842e-01 -1.919292293e-01 4.72 -8.170477556e-02 -1.553145314e-01 -1.863378750e-01 4.74 -7.900956843e-02 -1.506341909e-01 -1.809136690e-01 4.76 -7.639615830e-02 -1.460855907e-01 -1.756506704e-01 4.78 -7.386130316e-02 -1.416642358e-01 -1.705432785e-01 4.80 -7.140179650e-02 -1.373649102e-01 -1.655862034e-01 4.82 -6.901446151e-02 -1.331849850e-01 -1.607744369e-01 4.84 -6.669614556e-02 -1.291192433e-01 -1.561032262e-01 4.86 -6.444371510e-02 -1.251634916e-01 -1.515680491e-01 4.88 -6.225405104e-02 -1.213136175e-01 -1.471645921e-01 4.90 -6.012404492e-02 -1.175655968e-01 -1.428887307e-01 4.92 -5.805059609e-02 -1.139155045e-01 -1.387365117e-01 4.94 -5.603061019e-02 -1.103595294e-01 -1.347041378e-01 4.96 -5.406099929e-02 -1.068939923e-01 -1.307879541e-01 4.98 -5.213868419e-02 -1.035153682e-01 -1.269844358e-01 5.00 -5.026059933e-02 -1.002203138e-01 -1.232901776e-01 5.02 -4.842370121e-02 -9.700569743e-02 -1.197018842e-01 5.04 -4.662497978e-02 -9.386863332e-02 -1.162163621e-01 5.06 -4.486147482e-02 -9.080651824e-02 -1.128305119e-01 5.08 -4.313029792e-02 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-1.574726999e-02 -4.583509562e-02 -6.381539211e-02 5.46 -1.448983993e-02 -4.417019277e-02 -6.186946747e-02 5.48 -1.328295550e-02 -4.257000912e-02 -5.997083454e-02 5.50 -1.213086058e-02 -4.103169147e-02 -5.811727372e-02 5.52 -1.103727252e-02 -3.955210706e-02 -5.630656964e-02 5.54 -1.000523083e-02 -3.812791861e-02 -5.453610567e-02 5.56 -9.036982277e-03 -3.675565731e-02 -5.280454422e-02 5.58 -8.133909391e-03 -3.543179040e-02 -5.110921677e-02 5.60 -7.296504842e-03 -3.415278112e-02 -4.944793871e-02 5.62 -6.524390207e-03 -3.291514002e-02 -4.781854324e-02 5.64 -5.816373860e-03 -3.171546718e-02 -4.621888878e-02 5.66 -5.170540129e-03 -3.055048697e-02 -4.464686987e-02 5.68 -4.584360399e-03 -2.941707585e-02 -4.310043049e-02 5.70 -4.054816440e-03 -2.831228463e-02 -4.157758047e-02 5.72 -3.578527025e-03 -2.723335688e-02 -4.007641519e-02 5.74 -3.151870253e-03 -2.617774471e-02 -3.859513883e-02 5.76 -2.771095818e-03 -2.514312334e-02 -3.713209119e-02 5.78 -2.432423352e-03 -2.412740528e-02 -3.568577793e-02 5.80 -2.132124770e-03 -2.312875485e-02 -3.425490401e-02 5.82 -1.866590017e-03 -2.214560335e-02 -3.283840960e-02 5.84 -1.632376804e-03 -2.117666474e-02 -3.143550762e-02 5.86 -1.426245699e-03 -2.022095145e-02 -3.004572144e-02 5.88 -1.245182445e-03 -1.927778942e-02 -2.866892127e-02 5.90 -1.086409536e-03 -1.834683115e-02 -2.730535686e-02 5.92 -9.473891808e-04 -1.742806536e-02 -2.595568420e-02 5.94 -8.258195669e-04 -1.652179621e-02 -2.462094578e-02 5.96 -7.196261946e-04 -1.562855056e-02 -2.330244175e-02 5.98 -6.269497683e-04 -1.474933439e-02 -2.200212389e-02 6.00 -5.461318876e-04 -1.388548585e-02 -2.072238362e-02