# 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 = Ag2Al # 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 2.036327493e+02 1.16 1.878427009e+02 1.18 1.733335327e+02 1.20 1.599868303e+02 1.22 1.476966555e+02 1.24 1.363684549e+02 1.26 1.259188378e+02 1.28 1.162745751e+02 1.30 1.073702664e+02 1.32 9.914603270e+01 1.34 9.154643404e+01 1.36 8.452048793e+01 1.38 7.802180425e+01 1.40 7.200824969e+01 1.42 6.644125938e+01 1.44 6.128507266e+01 1.46 5.650700468e+01 1.48 5.208019774e+01 1.50 4.797679181e+01 1.52 4.417356608e+01 1.54 4.064916018e+01 1.56 3.738321929e+01 1.58 3.435710473e+01 1.60 3.155351984e+01 1.62 2.895626766e+01 1.64 2.655005704e+01 1.66 2.432038187e+01 1.68 2.225354363e+01 1.70 2.033680912e+01 1.72 1.855855803e+01 1.74 1.690826487e+01 1.76 1.537632574e+01 1.78 1.395388958e+01 1.80 1.263281853e+01 1.82 1.140574884e+01 1.84 1.026612937e+01 1.86 9.208155536e+00 1.88 8.226611030e+00 1.90 7.316678047e+00 1.92 6.473769467e+00 1.94 5.693414989e+00 1.96 4.971219548e+00 1.98 4.302898766e+00 2.00 3.684373465e+00 2.02 3.111880662e+00 2.04 2.582048194e+00 2.06 2.091897387e+00 2.08 1.638776886e+00 2.10 1.220263794e+00 2.12 8.340740808e-01 2.14 4.780076595e-01 2.16 1.499335367e-01 2.18 -1.521927667e-01 2.20 -4.302938590e-01 2.22 -6.861339946e-01 2.24 -9.212954943e-01 2.26 -1.137174490e+00 2.28 -1.334993733e+00 2.30 -1.515825380e+00 2.32 -1.680617039e+00 2.34 -1.830216925e+00 2.36 -1.965396903e+00 2.38 -2.086873087e+00 2.40 -2.195323987e+00 2.42 -2.291406104e+00 2.44 -2.375766836e+00 2.46 -2.449055003e+00 2.48 -2.512487139e+00 2.50 -2.567194864e+00 2.52 -2.613502693e+00 2.54 -2.651833925e+00 2.56 -2.682717338e+00 2.58 -2.707033236e+00 2.60 -2.725379677e+00 2.62 -2.738204095e+00 2.64 -2.746029097e+00 2.66 -2.749405383e+00 2.68 -2.748838126e+00 2.70 -2.744742546e+00 2.72 -2.737429127e+00 2.74 -2.727118590e+00 2.76 -2.713963372e+00 2.78 -2.698055740e+00 2.80 -2.679450370e+00 2.82 -2.658182713e+00 2.84 -2.634281426e+00 2.86 -2.607776187e+00 2.88 -2.578703049e+00 2.90 -2.547109386e+00 2.92 -2.513060059e+00 2.94 -2.476645695e+00 2.96 -2.437993051e+00 2.98 -2.397276271e+00 3.00 -2.354726603e+00 3.02 -2.310637259e+00 3.04 -2.265359981e+00 3.06 -2.219291124e+00 3.08 -2.172847608e+00 3.10 -2.126436277e+00 3.12 -2.080422630e+00 3.14 -2.035105488e+00 3.16 -1.990702209e+00 3.18 -1.947346259e+00 3.20 -1.905095306e+00 3.22 -1.863946255e+00 3.24 -1.823853038e+00 3.26 -1.784743776e+00 3.28 -1.746535187e+00 3.30 -1.709143399e+00 3.32 -1.672491201e+00 3.34 -1.636512263e+00 3.36 -1.601153022e+00 3.38 -1.566372907e+00 3.40 -1.532143473e+00 3.42 -1.498446897e+00 3.44 -1.465274112e+00 3.46 -1.432622883e+00 3.48 -1.400495927e+00 3.50 -1.368899190e+00 3.52 -1.337840350e+00 3.54 -1.307327550e+00 3.56 -1.277368370e+00 3.58 -1.247969006e+00 3.60 -1.219133649e+00 3.62 -1.190864024e+00 3.64 -1.163159073e+00 3.66 -1.136014766e+00 3.68 -1.109424030e+00 3.70 -1.083376786e+00 3.72 -1.057860108e+00 3.74 -1.032858482e+00 3.76 -1.008354182e+00 3.78 -9.843277350e-01 3.80 -9.607584709e-01 3.82 -9.376251191e-01 3.84 -9.149064232e-01 3.86 -8.925817331e-01 3.88 -8.706315316e-01 3.90 -8.490378636e-01 3.92 -8.277846382e-01 3.94 -8.068577967e-01 3.96 -7.862453349e-01 3.98 -7.659372142e-01 4.00 -7.459251765e-01 4.02 -7.262025078e-01 4.04 -7.067637927e-01 4.06 -6.876047022e-01 4.08 -6.687218543e-01 4.10 -6.501127618e-01 4.12 -6.317759690e-01 4.14 -6.137111622e-01 4.16 -5.959195342e-01 4.18 -5.784041387e-01 4.20 -5.611702746e-01 4.22 -5.442258161e-01 4.24 -5.275814058e-01 4.26 -5.112504330e-01 4.28 -4.952487286e-01 4.30 -4.795939389e-01 4.32 -4.643045802e-01 4.34 -4.493988293e-01 4.36 -4.348931527e-01 4.38 -4.208009129e-01 4.40 -4.071311055e-01 4.42 -3.938873645e-01 4.44 -3.810673372e-01 4.46 -3.686624698e-01 4.48 -3.566581934e-01 4.50 -3.450344452e-01 4.52 -3.337664333e-01 4.54 -3.228255425e-01 4.56 -3.121802867e-01 4.58 -3.017972353e-01 4.60 -2.916418685e-01 4.62 -2.816793418e-01 4.64 -2.718751633e-01 4.66 -2.621958033e-01 4.68 -2.526092659e-01 4.70 -2.430856533e-01 4.72 -2.335977537e-01 4.74 -2.241216740e-01 4.76 -2.146375289e-01 4.78 -2.051301822e-01 4.80 -1.955900117e-01 4.82 -1.860137090e-01 4.84 -1.764049196e-01 4.86 -1.667748351e-01 4.88 -1.571425057e-01 4.90 -1.475348454e-01 4.92 -1.379862422e-01 4.94 -1.285377224e-01 4.96 -1.192356558e-01 4.98 -1.101300391e-01 5.00 -1.012724465e-01 5.02 -9.271379151e-02 5.04 -8.450206263e-02 5.06 -7.668021736e-02 5.08 -6.928440916e-02 5.10 -6.234267085e-02 5.12 -5.587413954e-02 5.14 -4.988884757e-02 5.16 -4.438802462e-02 5.18 -3.936482873e-02 5.20 -3.480527689e-02 5.22 -3.068955326e-02 5.24 -2.699379013e-02 5.26 -2.369087362e-02 5.28 -2.075115895e-02 5.30 -1.814491885e-02 5.32 -1.584254041e-02 5.34 -1.381495380e-02 5.36 -1.203423378e-02 5.38 -1.047402008e-02 5.40 -9.109784860e-03 5.42 -7.918976158e-03 5.44 -6.881065002e-03 5.46 -5.977520557e-03 5.48 -5.191734215e-03 5.50 -4.508909621e-03 5.52 -3.915932110e-03 5.54 -3.401227831e-03 5.56 -2.954620140e-03 5.58 -2.567188651e-03 5.60 -2.231134584e-03 5.62 -1.939654694e-03 5.64 -1.686825055e-03 5.66 -1.467495231e-03 5.68 -1.277192863e-03 5.70 -1.112038310e-03 5.72 -9.686688079e-04 5.74 -8.441714291e-04 5.76 -7.360240929e-04 5.78 -6.420438562e-04 5.80 -5.603417217e-04 5.82 -4.892832446e-04 5.84 -4.274542674e-04 5.86 -3.736311669e-04 5.88 -3.267550575e-04 5.90 -2.859094496e-04 5.92 -2.503009194e-04 5.94 -2.192423970e-04 5.96 -1.921387249e-04 5.98 -1.684741856e-04 6.00 -1.478017319e-04