# 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 = CoPt3 # 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 4.026717027e+02 nan nan 1.16 3.734427823e+02 nan nan 1.18 3.463081745e+02 nan nan 1.20 3.210827591e+02 nan nan 1.22 2.976182147e+02 nan nan 1.24 2.757885013e+02 nan nan 1.26 2.554769361e+02 nan nan 1.28 2.365645575e+02 3.547837701e+02 4.014720613e+02 1.30 2.189313643e+02 3.310114552e+02 3.753339595e+02 1.32 2.024710832e+02 3.087713662e+02 3.508583678e+02 1.34 1.871008565e+02 2.879550395e+02 3.279072804e+02 1.36 1.727539791e+02 2.684568357e+02 3.063763960e+02 1.38 1.593657050e+02 2.501748072e+02 2.861884690e+02 1.40 1.468676490e+02 2.330190449e+02 2.672747894e+02 1.42 1.351919142e+02 2.169201833e+02 2.495615732e+02 1.44 1.242756387e+02 2.018271180e+02 2.329672485e+02 1.46 1.140602944e+02 1.876938836e+02 2.174064535e+02 1.48 1.044882917e+02 1.744675305e+02 2.027961548e+02 1.50 9.550188724e+01 1.620854279e+02 1.890605225e+02 1.52 8.704580475e+01 1.504792958e+02 1.761332232e+02 1.54 7.907175960e+01 1.395801030e+02 1.639576493e+02 1.56 7.154247777e+01 1.293220986e+02 1.524851354e+02 1.58 6.443284957e+01 1.196465391e+02 1.416718214e+02 1.60 5.772677836e+01 1.105046715e+02 1.314767486e+02 1.62 5.145944758e+01 1.018586093e+02 1.218623364e+02 1.64 4.576825867e+01 9.367931188e+01 1.127948806e+02 1.66 4.061540551e+01 8.594269399e+01 1.042428956e+02 1.68 3.594866775e+01 7.862642938e+01 9.617447589e+01 1.70 3.172008960e+01 7.170915283e+01 8.855614560e+01 1.72 2.788806408e+01 6.517106578e+01 8.135377677e+01 1.74 2.441729174e+01 5.899363297e+01 7.453430718e+01 1.76 2.127717596e+01 5.317206094e+01 6.806718036e+01 1.78 1.843982708e+01 4.781299000e+01 6.192555543e+01 1.80 1.587858843e+01 4.291230645e+01 5.608763359e+01 1.82 1.356746724e+01 3.842486686e+01 5.060030656e+01 1.84 1.148142917e+01 3.431132235e+01 4.555979831e+01 1.86 9.597148599e+00 3.053905017e+01 4.094131963e+01 1.88 7.893664541e+00 2.708168266e+01 3.671737185e+01 1.90 6.352639070e+00 2.391757056e+01 3.285870708e+01 1.92 4.958260464e+00 2.102777254e+01 2.933455255e+01 1.94 3.696966392e+00 1.839422997e+01 2.611426095e+01 1.96 2.557121095e+00 1.599862055e+01 2.316911272e+01 1.98 1.528709607e+00 1.382205604e+01 2.047337286e+01 2.00 6.030603789e-01 1.184546742e+01 1.800442587e+01 2.02 -2.274228344e-01 1.005032688e+01 1.574233258e+01 2.04 -9.695436620e-01 8.419344891e+00 1.366928525e+01 2.06 -1.629610997e+00 6.936912270e+00 1.176926505e+01 2.08 -2.213715209e+00 5.589224862e+00 1.002793784e+01 2.10 -2.727919966e+00 4.364150577e+00 8.432652709e+00 2.12 -3.178319995e+00 3.250955754e+00 6.972388880e+00 2.14 -3.570967237e+00 2.240014028e+00 5.637564979e+00 2.16 -3.911722023e+00 1.322587889e+00 4.419706750e+00 2.18 -4.206099327e+00 4.907142486e-01 3.311038099e+00 2.20 -4.459150739e+00 -2.628311819e-01 2.304105209e+00 2.22 -4.675388407e+00 -9.445405730e-01 1.391541658e+00 2.24 -4.858747070e+00 -1.560191262e+00 5.660239557e-01 2.26 -5.012585881e+00 -2.114888649e+00 -1.796162593e-01 2.28 -5.139731108e+00 -2.613131945e+00 -8.522103847e-01 2.30 -5.242550849e+00 -3.058894237e+00 -1.458088297e+00 2.32 -5.323111123e+00 -3.455709452e+00 -2.002982168e+00 2.34 -5.386378383e+00 -3.806761044e+00 -2.492010354e+00 2.36 -5.434742808e+00 -4.114968478e+00 -2.929728247e+00 2.38 -5.468480331e+00 -4.383067713e+00 -3.320223600e+00 2.40 -5.487984938e+00 -4.613681955e+00 -3.667231815e+00 2.42 -5.493759115e+00 -4.809379452e+00 -3.974245548e+00 2.44 -5.486392535e+00 -4.972717094e+00 -4.244593221e+00 2.46 -5.466529810e+00 -5.106272051e+00 -4.481467998e+00 2.48 -5.434838018e+00 -5.212665987e+00 -4.687904925e+00 2.50 -5.392018904e+00 -5.294583243e+00 -4.866723468e+00 2.52 -5.338776795e+00 -5.354774782e+00 -5.020464329e+00 2.54 -5.275850553e+00 -5.397905166e+00 -5.151346525e+00 2.56 -5.204127604e+00 -5.429293204e+00 -5.261256899e+00 2.58 -5.124694505e+00 -5.450312655e+00 -5.351769572e+00 2.60 -5.038840994e+00 -5.462183982e+00 -5.424212745e+00 2.62 -4.948001454e+00 -5.465956475e+00 -5.482149893e+00 2.64 -4.853644094e+00 -5.462448431e+00 -5.527437255e+00 2.66 -4.757140730e+00 -5.452237250e+00 -5.560037385e+00 2.68 -4.659628937e+00 -5.435690134e+00 -5.579981003e+00 2.70 -4.561947593e+00 -5.413039261e+00 -5.587400402e+00 2.72 -4.464680784e+00 -5.384400685e+00 -5.582573220e+00 2.74 -4.368194843e+00 -5.349798598e+00 -5.565970811e+00 2.76 -4.272688145e+00 -5.309244281e+00 -5.538300259e+00 2.78 -4.178240708e+00 -5.262755697e+00 -5.500530699e+00 2.80 -4.084855688e+00 -5.210369484e+00 -5.453905588e+00 2.82 -3.992491476e+00 -5.152150545e+00 -5.399783142e+00 2.84 -3.901085877e+00 -5.088203629e+00 -5.339596797e+00 2.86 -3.810573515e+00 -5.018689616e+00 -5.274753376e+00 2.88 -3.720896912e+00 -4.943847018e+00 -5.206518638e+00 2.90 -3.632011491e+00 -4.864009213e+00 -5.135933014e+00 2.92 -3.543885710e+00 -4.779607752e+00 -5.063771811e+00 2.94 -3.456498107e+00 -4.691211610e+00 -4.990549990e+00 2.96 -3.369833231e+00 -4.599528047e+00 -4.916557060e+00 2.98 -3.283877960e+00 -4.505372799e+00 -4.841886994e+00 3.00 -3.198618921e+00 -4.409617445e+00 -4.766517355e+00 3.02 -3.114041232e+00 -4.313121965e+00 -4.690377560e+00 3.04 -3.030128555e+00 -4.216666111e+00 -4.613382832e+00 3.06 -2.946864311e+00 -4.120894175e+00 -4.535455813e+00 3.08 -2.864233824e+00 -4.026283246e+00 -4.456537895e+00 3.10 -2.782227056e+00 -3.933137949e+00 -4.376593063e+00 3.12 -2.700841399e+00 -3.841607424e+00 -4.295606997e+00 3.14 -2.620084016e+00 -3.751716361e+00 -4.213583629e+00 3.16 -2.539996355e+00 -3.663401175e+00 -4.130540799e+00 3.18 -2.460744264e+00 -3.576544451e+00 -4.046506087e+00 3.20 -2.382514057e+00 -3.491003531e+00 -3.961513595e+00 3.22 -2.305469440e+00 -3.406631822e+00 -3.875602174e+00 3.24 -2.229752649e+00 -3.323293231e+00 -3.788815437e+00 3.26 -2.155484946e+00 -3.240870953e+00 -3.701203834e+00 3.28 -2.082767033e+00 -3.159272075e+00 -3.612828841e+00 3.30 -2.011679773e+00 -3.078429225e+00 -3.523769126e+00 3.32 -1.942285409e+00 -2.998300228e+00 -3.434128189e+00 3.34 -1.874629283e+00 -2.918866380e+00 -3.344042501e+00 3.36 -1.808741907e+00 -2.840129802e+00 -3.253688672e+00 3.38 -1.744641114e+00 -2.762110161e+00 -3.163287774e+00 3.40 -1.682334112e+00 -2.684841026e+00 -3.073104898e+00 3.42 -1.621819186e+00 -2.608377285e+00 -2.983442487e+00 3.44 -1.563087000e+00 -2.532843472e+00 -2.894627080e+00 3.46 -1.506121406e+00 -2.458388901e+00 -2.806990559e+00 3.48 -1.450899897e+00 -2.385170454e+00 -2.720848487e+00 3.50 -1.397393750e+00 -2.313324933e+00 -2.636478960e+00 3.52 -1.345567999e+00 -2.242965619e+00 -2.554110691e+00 3.54 -1.295381321e+00 -2.174182992e+00 -2.474000170e+00 3.56 -1.246785991e+00 -2.107045551e+00 -2.396391485e+00 3.58 -1.199727928e+00 -2.041600773e+00 -2.321425288e+00 3.60 -1.154146926e+00 -1.977876201e+00 -2.249151032e+00 3.62 -1.109977102e+00 -1.915880693e+00 -2.179545371e+00 3.64 -1.067147627e+00 -1.855605846e+00 -2.112530672e+00 3.66 -1.025583765e+00 -1.797027606e+00 -2.047991827e+00 3.68 -9.852082812e-01 -1.740108097e+00 -1.985790435e+00 3.70 -9.459432529e-01 -1.684797640e+00 -1.925776120e+00 3.72 -9.077123108e-01 -1.631036958e+00 -1.867795192e+00 3.74 -8.704433114e-01 -1.578759495e+00 -1.811697105e+00 3.76 -8.340713861e-01 -1.527893771e+00 -1.757339164e+00 3.78 -7.985422408e-01 -1.478365677e+00 -1.704589882e+00 3.80 -7.638154879e-01 -1.430100582e+00 -1.653331273e+00 3.82 -7.298676826e-01 -1.383025182e+00 -1.603460253e+00 3.84 -6.966946373e-01 -1.337068995e+00 -1.554889259e+00 3.86 -6.643125219e-01 -1.292165479e+00 -1.507546156e+00 3.88 -6.327572683e-01 -1.248252795e+00 -1.461373508e+00 3.90 -6.020819146e-01 -1.205274268e+00 -1.416327305e+00 3.92 -5.723517691e-01 -1.163178652e+00 -1.372375250e+00 3.94 -5.436376419e-01 -1.121920354e+00 -1.329494790e+00 3.96 -5.160077598e-01 -1.081459693e+00 -1.287670957e+00 3.98 -4.895193788e-01 -1.041763390e+00 -1.246894263e+00 4.00 -4.642112248e-01 -1.002805317e+00 -1.207158702e+00 4.02 -4.400978525e-01 -9.645675499e-01 -1.168459980e+00 4.04 -4.171666858e-01 -9.270416595e-01 -1.130794013e+00 4.06 -3.953780300e-01 -8.902301152e-01 -1.094155740e+00 4.08 -3.746678476e-01 -8.541475624e-01 -1.058538230e+00 4.10 -3.549527050e-01 -8.188216860e-01 -1.023932062e+00 4.12 -3.361360945e-01 -7.842933764e-01 -9.903249490e-01 4.14 -3.181153245e-01 -7.506157922e-01 -9.577015439e-01 4.16 -3.007883006e-01 -7.178522684e-01 -9.260434034e-01 4.18 -2.840597042e-01 -6.860729080e-01 -8.953290508e-01 4.20 -2.678462526e-01 -6.553500722e-01 -8.655341118e-01 4.22 -2.520808697e-01 -6.257531367e-01 -8.366314891e-01 4.24 -2.367156143e-01 -5.973430612e-01 -8.085915538e-01 4.26 -2.217233302e-01 -5.701673898e-01 -7.813823386e-01 4.28 -2.070979044e-01 -5.442562582e-01 -7.549697200e-01 4.30 -1.928531072e-01 -5.196198275e-01 -7.293175854e-01 4.32 -1.790200361e-01 -4.962473425e-01 -7.043879842e-01 4.34 -1.656433036e-01 -4.741077713e-01 -6.801412634e-01 4.36 -1.527762426e-01 -4.531517817e-01 -6.565361958e-01 4.38 -1.404755528e-01 -4.333146805e-01 -6.335301081e-01 4.40 -1.287958759e-01 -4.145198948e-01 -6.110790215e-01 4.42 -1.177848610e-01 -3.966825998e-01 -5.891378194e-01 4.44 -1.074791644e-01 -3.797131760e-01 -5.676604581e-01 4.46 -9.790172325e-02 -3.635202787e-01 -5.466002440e-01 4.48 -8.906044270e-02 -3.480134088e-01 -5.259101955e-01 4.50 -8.094825317e-02 -3.331049625e-01 -5.055435181e-01 4.52 -7.354433229e-02 -3.187118066e-01 -4.854542076e-01 4.54 -6.681618644e-02 -3.047564641e-01 -4.655978489e-01 4.56 -6.072224772e-02 -2.911680172e-01 -4.459325207e-01 4.58 -5.521466011e-02 -2.778828314e-01 -4.264199666e-01 4.60 -5.024198433e-02 -2.648451891e-01 -4.070269154e-01 4.62 -4.575162819e-02 -2.520078977e-01 -3.877265785e-01 4.64 -4.169188723e-02 -2.393329056e-01 -3.685002690e-01 4.66 -3.801354818e-02 -2.267919251e-01 -3.493390668e-01 4.68 -3.467105914e-02 -2.143670269e-01 -3.302454188e-01 4.70 -3.162330034e-02 -2.020511371e-01 -3.112345285e-01 4.72 -2.883401059e-02 -1.898483443e-01 -2.923353637e-01 4.74 -2.627192429e-02 -1.777739038e-01 -2.735910971e-01 4.76 -2.391057828e-02 -1.658538296e-01 -2.550588042e-01 4.78 -2.172812188e-02 -1.541239811e-01 -2.368082828e-01 4.80 -1.970714294e-02 -1.426285906e-01 -2.189199281e-01 4.82 -1.783378683e-02 -1.314182476e-01 -2.014816959e-01 4.84 -1.609719101e-02 -1.205473900e-01 -1.845853006e-01 4.86 -1.448888360e-02 -1.100714858e-01 -1.683219078e-01 4.88 -1.300217665e-02 -1.000440813e-01 -1.527776660e-01 4.90 -1.163159385e-02 -9.051396648e-02 -1.380294658e-01 4.92 -1.037236563e-02 -8.152268900e-02 -1.241413027e-01 4.94 -9.220012907e-03 -7.310261579e-02 -1.111615460e-01 4.96 -8.170030956e-03 -6.527567501e-02 -9.912130780e-02 4.98 -7.217715024e-03 -5.805283004e-02 -8.803397069e-02 5.00 -6.358033350e-03 -5.143425626e-02 -7.789580000e-02 5.02 -5.585601580e-03 -4.541012265e-02 -6.868746594e-02 5.04 -4.894725876e-03 -3.996183493e-02 -6.037623143e-02 5.06 -4.279928128e-03 -3.506357603e-02 -5.291853840e-02 5.08 -3.736700971e-03 -3.068398288e-02 -4.626273869e-02 5.10 -3.257883066e-03 -2.678781450e-02 -4.035175487e-02 5.12 -2.836647483e-03 -2.333751776e-02 -3.512551121e-02 5.14 -2.466812630e-03 -2.029461748e-02 -3.052303190e-02 5.16 -2.142763774e-03 -1.762083532e-02 -2.648415692e-02 5.18 -1.859395835e-03 -1.527899324e-02 -2.295086282e-02 5.20 -1.612071204e-03 -1.323433982e-02 -1.986822060e-02 5.22 -1.396587035e-03 -1.145452156e-02 -1.718507162e-02 5.24 -1.209147720e-03 -9.907785869e-03 -1.485434486e-02 5.26 -1.046339617e-03 -8.565685038e-03 -1.283320240e-02 5.28 -9.051063258e-04 -7.403111828e-03 -1.108403130e-02 5.30 -7.827236876e-04 -6.396930058e-03 -9.573442014e-03 5.32 -6.767743646e-04 -5.526722191e-03 -8.268937080e-03 5.34 -5.851222004e-04 -4.774587659e-03 -7.142418027e-03 5.36 -5.058867556e-04 -4.124853870e-03 -6.169842613e-03 5.38 -4.374184511e-04 -3.563822762e-03 -5.330371399e-03 5.40 -3.782747179e-04 -3.079544942e-03 -4.605926346e-03 5.42 -3.271974701e-04 -2.661616668e-03 -3.980829696e-03 5.44 -2.830921288e-04 -2.300996833e-03 -3.441494492e-03 5.46 -2.450083277e-04 -1.989842100e-03 -2.976156047e-03 5.48 -2.121223570e-04 -1.721358851e-03 -2.574637225e-03 5.50 -1.837213349e-04 -1.489670781e-03 -2.228142506e-03 5.52 -1.591890509e-04 -1.289701060e-03 -1.929077119e-03 5.54 -1.379933881e-04 -1.117067936e-03 -1.670887714e-03 5.56 -1.196752148e-04 -9.679926715e-04 -1.447925557e-03 5.58 -1.038386202e-04 -8.392186951e-04 -1.255321247e-03 5.60 -9.014236831e-05 -7.279408639e-04 -1.088881054e-03 5.62 -7.829244416e-05 -6.317437778e-04 -9.449938704e-04 5.64 -6.803557208e-05 -5.485481431e-04 -8.205509599e-04 5.66 -5.915359316e-05 -4.765642504e-04 -7.128764033e-04 5.68 -5.145859824e-05 -4.142517083e-04 -6.196669207e-04 5.70 -4.478872212e-05 -3.602846553e-04 -5.389398910e-04 5.72 -3.900451444e-05 -3.135217480e-04 -4.689885132e-04 5.74 -3.398581154e-05 -2.729803030e-04 -4.083431715e-04 5.76 -2.962904274e-05 -2.378140384e-04 -3.557381782e-04 5.78 -2.584491237e-05 -2.072939307e-04 -3.100831667e-04 5.80 -2.255640624e-05 -1.807917595e-04 -2.704385002e-04 5.82 -1.969707773e-05 -1.577659702e-04 -2.359941418e-04 5.84 -1.720957477e-05 -1.377495317e-04 -2.060515031e-04 5.86 -1.504437398e-05 -1.203395091e-04 -1.800078566e-04 5.88 -1.315869292e-05 -1.051881111e-04 -1.573429500e-04 5.90 -1.151555538e-05 -9.199500192e-05 -1.376075112e-04 5.92 -1.008298805e-05 -8.050070055e-05 -1.204133774e-04 5.94 -8.833329993e-06 -7.048091108e-05 -1.054250163e-04 5.96 -7.742639023e-06 -6.174165261e-05 -9.235224246e-05 5.98 -6.790181144e-06 -5.411507472e-05 -8.094395910e-05 6.00 -5.957991372e-06 -4.745586087e-05 -7.098277816e-05