# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Mendelev-M-I-Sun-Y-Zhang-F-et-al--Cu-Zr # implementation = EAM_Mendelev_2019_CuZr__MO_945018740343_000 # composition = Cu2Zr # 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 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 nan 1.16 nan 1.18 nan 1.20 nan 1.22 nan 1.24 1.187383956e+04 1.26 9.495942583e+03 1.28 7.609260940e+03 1.30 6.108818994e+03 1.32 4.912961555e+03 1.34 3.957849008e+03 1.36 3.193482090e+03 1.38 2.580624136e+03 1.40 2.088388873e+03 1.42 1.692396247e+03 1.44 1.373362841e+03 1.46 1.115933851e+03 1.48 9.079174790e+02 1.50 7.396034439e+02 1.52 6.032279541e+02 1.54 4.925725608e+02 1.56 4.026622106e+02 1.58 3.295190979e+02 1.60 2.699706304e+02 1.62 2.214358152e+02 1.64 1.818429467e+02 1.66 1.495231991e+02 1.68 1.231236840e+02 1.70 1.015365282e+02 1.72 8.384578060e+01 1.74 6.930822437e+01 1.76 5.733241703e+01 1.78 4.744489469e+01 1.80 3.926434340e+01 1.82 3.248226006e+01 1.84 2.684904031e+01 1.86 2.216476832e+01 1.88 1.827062192e+01 1.90 1.503631449e+01 1.92 1.235050669e+01 1.94 1.011406215e+01 1.96 8.236233414e+00 1.98 6.641728735e+00 2.00 5.272451879e+00 2.02 4.084679130e+00 2.04 3.046872296e+00 2.06 2.136733501e+00 2.08 1.338986162e+00 2.10 6.436838817e-01 2.12 4.386692391e-02 2.14 -4.673084187e-01 2.16 -8.980484221e-01 2.18 -1.258288237e+00 2.20 -1.559016303e+00 2.22 -1.834755397e+00 2.24 -2.055197244e+00 2.26 -2.248389035e+00 2.28 -2.420046557e+00 2.30 -2.575880537e+00 2.32 -2.722591034e+00 2.34 -2.866560650e+00 2.36 -3.010612523e+00 2.38 -3.154356524e+00 2.40 -3.295235825e+00 2.42 -3.429624756e+00 2.44 -3.554575330e+00 2.46 -3.667859079e+00 2.48 -3.767281539e+00 2.50 -3.851318448e+00 2.52 -3.919281884e+00 2.54 -3.971029804e+00 2.56 -4.006617229e+00 2.58 -4.026485786e+00 2.60 -4.031624670e+00 2.62 -4.023966268e+00 2.64 -4.006402534e+00 2.66 -3.980460471e+00 2.68 -3.947528744e+00 2.70 -3.909113838e+00 2.72 -3.866618482e+00 2.74 -3.821554089e+00 2.76 -3.775440963e+00 2.78 -3.729665704e+00 2.80 -3.685277312e+00 2.82 -3.642763259e+00 2.84 -3.602076622e+00 2.86 -3.562726372e+00 2.88 -3.523881518e+00 2.90 -3.484526051e+00 2.92 -3.443597480e+00 2.94 -3.400079974e+00 2.96 -3.353121248e+00 2.98 -3.302332477e+00 3.00 -3.248054266e+00 3.02 -3.191436368e+00 3.04 -3.134495447e+00 3.06 -3.079787476e+00 3.08 -3.029150909e+00 3.10 -2.983480537e+00 3.12 -2.942945157e+00 3.14 -2.907179918e+00 3.16 -2.875450465e+00 3.18 -2.846790161e+00 3.20 -2.820114344e+00 3.22 -2.794313677e+00 3.24 -2.768327850e+00 3.26 -2.741201651e+00 3.28 -2.712125418e+00 3.30 -2.680461594e+00 3.32 -2.645759374e+00 3.34 -2.607759625e+00 3.36 -2.566390686e+00 3.38 -2.521756535e+00 3.40 -2.474119018e+00 3.42 -2.423875542e+00 3.44 -2.371533528e+00 3.46 -2.317679982e+00 3.48 -2.262944096e+00 3.50 -2.207964395e+00 3.52 -2.153359262e+00 3.54 -2.099699632e+00 3.56 -2.047484733e+00 3.58 -1.997121740e+00 3.60 -1.948910125e+00 3.62 -1.903031411e+00 3.64 -1.859545004e+00 3.66 -1.818390669e+00 3.68 -1.779398210e+00 3.70 -1.742309656e+00 3.72 -1.706824962e+00 3.74 -1.672631549e+00 3.76 -1.639420275e+00 3.78 -1.606901887e+00 3.80 -1.574823354e+00 3.82 -1.542982854e+00 3.84 -1.511242024e+00 3.86 -1.479533951e+00 3.88 -1.447865273e+00 3.90 -1.416310591e+00 3.92 -1.384997263e+00 3.94 -1.354078443e+00 3.96 -1.323692285e+00 3.98 -1.293905729e+00 4.00 -1.264681988e+00 4.02 -1.235938514e+00 4.04 -1.207595166e+00 4.06 -1.179596321e+00 4.08 -1.151906327e+00 4.10 -1.124502726e+00 4.12 -1.097369785e+00 4.14 -1.070492301e+00 4.16 -1.043849619e+00 4.18 -1.017413846e+00 4.20 -9.911723337e-01 4.22 -9.651403843e-01 4.24 -9.393547138e-01 4.26 -9.138668126e-01 4.28 -8.887373174e-01 4.30 -8.640313053e-01 4.32 -8.398144328e-01 4.34 -8.161498386e-01 4.36 -7.930957399e-01 4.38 -7.707036493e-01 4.40 -7.490171481e-01 4.42 -7.280710833e-01 4.44 -7.078904726e-01 4.46 -6.884896619e-01 4.48 -6.698724209e-01 4.50 -6.520323590e-01 4.52 -6.349535482e-01 4.54 -6.186113101e-01 4.56 -6.029731282e-01 4.58 -5.879996501e-01 4.60 -5.736457477e-01 4.62 -5.598616070e-01 4.64 -5.465938227e-01 4.66 -5.337864775e-01 4.68 -5.213822662e-01 4.70 -5.093239230e-01 4.72 -4.975554989e-01 4.74 -4.860233825e-01 4.76 -4.746771999e-01 4.78 -4.634705894e-01 4.80 -4.523618415e-01 4.82 -4.413143989e-01 4.84 -4.302972135e-01 4.86 -4.192849588e-01 4.88 -4.082581032e-01 4.90 -3.972028463e-01 4.92 -3.861109290e-01 4.94 -3.749793281e-01 4.96 -3.638098478e-01 4.98 -3.526086279e-01 5.00 -3.413855864e-01 5.02 -3.301538190e-01 5.04 -3.189289835e-01 5.06 -3.077286951e-01 5.08 -2.965719653e-01 5.10 -2.854787197e-01 5.12 -2.744694311e-01 5.14 -2.635649094e-01 5.16 -2.527862926e-01 5.18 -2.421552860e-01 5.20 -2.316947009e-01 5.22 -2.214290132e-01 5.24 -2.113830753e-01 5.26 -2.015805910e-01 5.28 -1.920435114e-01 5.30 -1.827915016e-01 5.32 -1.738414330e-01 5.34 -1.652069104e-01 5.36 -1.568978442e-01 5.38 -1.489200803e-01 5.40 -1.412750985e-01 5.42 -1.339597925e-01 5.44 -1.269663437e-01 5.46 -1.202822040e-01 5.48 -1.138901996e-01 5.50 -1.077687723e-01 5.52 -1.018923730e-01 5.54 -9.623202304e-02 5.56 -9.075606000e-02 5.58 -8.543108527e-02 5.60 -8.022313057e-02 5.62 -7.509906174e-02 5.64 -7.002823860e-02 5.66 -6.498445006e-02 5.68 -5.994814446e-02 5.70 -5.490897549e-02 5.72 -4.986868474e-02 5.74 -4.484434253e-02 5.76 -3.987196901e-02 5.78 -3.501055845e-02 5.80 -3.034652985e-02 5.82 -2.599564186e-02 5.84 -2.207527087e-02 5.86 -1.867597223e-02 5.88 -1.586222297e-02 5.90 -1.367584781e-02 5.92 -1.213917902e-02 5.94 -1.125796216e-02 5.96 -1.102401946e-02 5.98 -1.141768250e-02 6.00 -1.241000527e-02