# 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 = CoPd2 # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 3.030312721e+02 1.16 2.790079008e+02 1.18 2.569161315e+02 1.20 2.365792276e+02 1.22 2.178403449e+02 1.24 2.005606620e+02 1.26 1.846157065e+02 1.28 1.698928902e+02 1.30 1.562904878e+02 1.32 1.437169844e+02 1.34 1.320896482e+02 1.36 1.213325617e+02 1.38 1.113754679e+02 1.40 1.021535951e+02 1.42 9.360769432e+01 1.44 8.568415565e+01 1.46 7.833507259e+01 1.48 7.151753815e+01 1.50 6.519212861e+01 1.52 5.933739655e+01 1.54 5.395838273e+01 1.56 4.901739568e+01 1.58 4.447705396e+01 1.60 4.030351333e+01 1.62 3.646636960e+01 1.64 3.293851133e+01 1.66 2.969580025e+01 1.68 2.671651367e+01 1.70 2.398068895e+01 1.72 2.146961327e+01 1.74 1.916560450e+01 1.76 1.705205647e+01 1.78 1.511360879e+01 1.80 1.333627748e+01 1.82 1.170743394e+01 1.84 1.021562354e+01 1.86 8.850311940e+00 1.88 7.601676853e+00 1.90 6.460517211e+00 1.92 5.418269763e+00 1.94 4.467059683e+00 1.96 3.599708442e+00 1.98 2.809673553e+00 2.00 2.090950619e+00 2.02 1.437982921e+00 2.04 8.455999001e-01 2.06 3.089803657e-01 2.08 -1.763689164e-01 2.10 -6.146234090e-01 2.12 -1.009642870e+00 2.14 -1.364971088e+00 2.16 -1.683838999e+00 2.18 -1.969173717e+00 2.20 -2.223613866e+00 2.22 -2.449531273e+00 2.24 -2.649058666e+00 2.26 -2.824121955e+00 2.28 -2.976475367e+00 2.30 -3.107738051e+00 2.32 -3.219443252e+00 2.34 -3.313101182e+00 2.36 -3.390161260e+00 2.38 -3.452987731e+00 2.40 -3.502657315e+00 2.42 -3.539891399e+00 2.44 -3.565503821e+00 2.46 -3.580362079e+00 2.48 -3.585341519e+00 2.50 -3.581230371e+00 2.52 -3.568843618e+00 2.54 -3.549108852e+00 2.56 -3.522908731e+00 2.58 -3.491056319e+00 2.60 -3.454290603e+00 2.62 -3.413268231e+00 2.64 -3.368553574e+00 2.66 -3.320612720e+00 2.68 -3.269816621e+00 2.70 -3.216454352e+00 2.72 -3.160752948e+00 2.74 -3.102898688e+00 2.76 -3.043056199e+00 2.78 -2.981384204e+00 2.80 -2.918048576e+00 2.82 -2.853233723e+00 2.84 -2.787152713e+00 2.86 -2.720055295e+00 2.88 -2.652231865e+00 2.90 -2.584011003e+00 2.92 -2.515749009e+00 2.94 -2.447811868e+00 2.96 -2.380552648e+00 2.98 -2.314289180e+00 3.00 -2.249286838e+00 3.02 -2.185749288e+00 3.04 -2.123817224e+00 3.06 -2.063572950e+00 3.08 -2.005048148e+00 3.10 -1.948232883e+00 3.12 -1.893084922e+00 3.14 -1.839539030e+00 3.16 -1.787515827e+00 3.18 -1.736929676e+00 3.20 -1.687695080e+00 3.22 -1.639731294e+00 3.24 -1.592965249e+00 3.26 -1.547333074e+00 3.28 -1.502780616e+00 3.30 -1.459263287e+00 3.32 -1.416745496e+00 3.34 -1.375199802e+00 3.36 -1.334605865e+00 3.38 -1.294949254e+00 3.40 -1.256220144e+00 3.42 -1.218411979e+00 3.44 -1.181520155e+00 3.46 -1.145540795e+00 3.48 -1.110469661e+00 3.50 -1.076301244e+00 3.52 -1.043028045e+00 3.54 -1.010640051e+00 3.56 -9.791243827e-01 3.58 -9.484651122e-01 3.60 -9.186432305e-01 3.62 -8.896367467e-01 3.64 -8.614209110e-01 3.66 -8.339685449e-01 3.68 -8.072504637e-01 3.70 -7.812359668e-01 3.72 -7.558933685e-01 3.74 -7.311905353e-01 3.76 -7.070954004e-01 3.78 -6.835764256e-01 3.80 -6.606029995e-01 3.82 -6.381457691e-01 3.84 -6.161769241e-01 3.86 -5.946704631e-01 3.88 -5.736024846e-01 3.90 -5.529515435e-01 3.92 -5.326991130e-01 3.94 -5.128301716e-01 3.96 -4.933339089e-01 3.98 -4.742045173e-01 4.00 -4.554419866e-01 4.02 -4.370527888e-01 4.04 -4.190503021e-01 4.06 -4.014548178e-01 4.08 -3.842929834e-01 4.10 -3.675965938e-01 4.12 -3.514007311e-01 4.14 -3.357413531e-01 4.16 -3.206525615e-01 4.18 -3.061638421e-01 4.20 -2.922976095e-01 4.22 -2.790673464e-01 4.24 -2.664765335e-01 4.26 -2.545184365e-01 4.28 -2.431766859e-01 4.30 -2.324264840e-01 4.32 -2.222362193e-01 4.34 -2.125692584e-01 4.36 -2.033857183e-01 4.38 -1.946440768e-01 4.40 -1.863025348e-01 4.42 -1.783201004e-01 4.44 -1.706574069e-01 4.46 -1.632772993e-01 4.48 -1.561452417e-01 4.50 -1.492295971e-01 4.52 -1.425018291e-01 4.54 -1.359366639e-01 4.56 -1.295122408e-01 4.58 -1.232102641e-01 4.60 -1.170161592e-01 4.62 -1.109192195e-01 4.64 -1.049127200e-01 4.66 -9.899397151e-02 4.68 -9.316427851e-02 4.70 -8.742876860e-02 4.72 -8.179607131e-02 4.74 -7.627783949e-02 4.76 -7.088812560e-02 4.78 -6.564264627e-02 4.80 -6.055799146e-02 4.82 -5.565083192e-02 4.84 -5.093718537e-02 4.86 -4.643179828e-02 4.88 -4.214766146e-02 4.90 -3.809566465e-02 4.92 -3.428437093e-02 4.94 -3.071988059e-02 4.96 -2.740564872e-02 4.98 -2.434257024e-02 5.00 -2.152911238e-02 5.02 -1.896116164e-02 5.04 -1.663196810e-02 5.06 -1.453254553e-02 5.08 -1.265204486e-02 5.10 -1.097780122e-02 5.12 -9.495768104e-03 5.14 -8.190979563e-03 5.16 -7.048008446e-03 5.18 -6.051392175e-03 5.20 -5.186003088e-03 5.22 -4.437349028e-03 5.24 -3.791798517e-03 5.26 -3.236732440e-03 5.28 -2.760629588e-03 5.30 -2.353096643e-03 5.32 -2.004854414e-03 5.34 -1.707691895e-03 5.36 -1.454398515e-03 5.38 -1.238683280e-03 5.40 -1.055087674e-03 5.42 -8.988974740e-04 5.44 -7.660571005e-04 5.46 -6.530888996e-04 5.48 -5.570187630e-04 5.50 -4.753087772e-04 5.52 -4.057970693e-04 5.54 -3.466446675e-04 5.56 -2.962889716e-04 5.58 -2.534033030e-04 5.60 -2.168619461e-04 5.62 -1.857100770e-04 5.64 -1.591379983e-04 5.66 -1.364591312e-04 5.68 -1.170912661e-04 5.70 -1.005406199e-04 5.72 -8.638830319e-05 5.74 -7.427884719e-05 5.76 -6.391048501e-05 5.78 -5.502692624e-05 5.80 -4.741039788e-05 5.82 -4.087575874e-05 5.84 -3.526552230e-05 5.86 -3.044564794e-05 5.88 -2.630198156e-05 5.90 -2.273724472e-05 5.92 -1.966848726e-05 5.94 -1.702493107e-05 5.96 -1.474614445e-05 5.98 -1.278049547e-05 6.00 -1.108384126e-05