# 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 = AgW2 # 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 5.236999099e+02 1.16 4.816688184e+02 1.18 4.431921611e+02 1.20 4.079548323e+02 1.22 3.756630602e+02 1.24 3.460435854e+02 1.26 3.188466786e+02 1.28 2.938490857e+02 1.30 2.708527996e+02 1.32 2.496800945e+02 1.34 2.301685664e+02 1.36 2.121691205e+02 1.38 1.955467610e+02 1.40 1.801818765e+02 1.42 1.659699876e+02 1.44 1.528196231e+02 1.46 1.406493677e+02 1.48 1.293853777e+02 1.50 1.189600095e+02 1.52 1.093113340e+02 1.54 1.003828966e+02 1.56 9.212327468e+01 1.58 8.448536076e+01 1.60 7.742550985e+01 1.62 7.090272793e+01 1.64 6.487803860e+01 1.66 5.931410203e+01 1.68 5.417510823e+01 1.70 4.942694912e+01 1.72 4.503899056e+01 1.74 4.098216999e+01 1.76 3.722915511e+01 1.78 3.375540337e+01 1.80 3.053921855e+01 1.82 2.756254489e+01 1.84 2.481050293e+01 1.86 2.226837177e+01 1.88 1.992294706e+01 1.90 1.776216977e+01 1.92 1.577475057e+01 1.94 1.394987008e+01 1.96 1.227697658e+01 1.98 1.074568454e+01 2.00 9.345755397e+00 2.02 8.067125056e+00 2.04 6.899939806e+00 2.06 5.834578965e+00 2.08 4.861672858e+00 2.10 3.972148265e+00 2.12 3.157331274e+00 2.14 2.409109894e+00 2.16 1.720124083e+00 2.18 1.083930149e+00 2.20 4.950904613e-01 2.22 -5.083596448e-02 2.24 -5.573949394e-01 2.26 -1.027346323e+00 2.28 -1.462697239e+00 2.30 -1.865649066e+00 2.32 -2.238164748e+00 2.34 -2.581980145e+00 2.36 -2.898695705e+00 2.38 -3.189829786e+00 2.40 -3.456813851e+00 2.42 -3.700462299e+00 2.44 -3.921185688e+00 2.46 -4.119561051e+00 2.48 -4.296280428e+00 2.50 -4.452095809e+00 2.52 -4.587781693e+00 2.54 -4.704112167e+00 2.56 -4.801849145e+00 2.58 -4.881737715e+00 2.60 -4.944504107e+00 2.62 -4.990852426e+00 2.64 -5.021458371e+00 2.66 -5.036961122e+00 2.68 -5.037956940e+00 2.70 -5.024998170e+00 2.72 -4.998599467e+00 2.74 -4.959250395e+00 2.76 -4.907431950e+00 2.78 -4.843634623e+00 2.80 -4.768376862e+00 2.82 -4.682224032e+00 2.84 -4.585808589e+00 2.86 -4.479851678e+00 2.88 -4.365185148e+00 2.90 -4.242771394e+00 2.92 -4.113717063e+00 2.94 -3.979275896e+00 2.96 -3.840836374e+00 2.98 -3.699891413e+00 3.00 -3.557990086e+00 3.02 -3.416674732e+00 3.04 -3.277437945e+00 3.06 -3.141728751e+00 3.08 -3.010522862e+00 3.10 -2.884518383e+00 3.12 -2.764160883e+00 3.14 -2.649640784e+00 3.16 -2.540911085e+00 3.18 -2.437721106e+00 3.20 -2.339672163e+00 3.22 -2.246264699e+00 3.24 -2.156929232e+00 3.26 -2.071067985e+00 3.28 -1.988091639e+00 3.30 -1.907449914e+00 3.32 -1.828656148e+00 3.34 -1.751306340e+00 3.36 -1.675093009e+00 3.38 -1.599813992e+00 3.40 -1.525376008e+00 3.42 -1.451792679e+00 3.44 -1.379176713e+00 3.46 -1.307726322e+00 3.48 -1.237706457e+00 3.50 -1.169426077e+00 3.52 -1.103213291e+00 3.54 -1.039390543e+00 3.56 -9.782520724e-01 3.58 -9.200455534e-01 3.60 -8.649591953e-01 3.62 -8.131148246e-01 3.64 -7.645667071e-01 3.66 -7.193052586e-01 3.68 -6.772644156e-01 3.70 -6.383313016e-01 3.72 -6.023569035e-01 3.74 -5.691666905e-01 3.76 -5.385703952e-01 3.78 -5.103704702e-01 3.80 -4.843689908e-01 3.82 -4.603729761e-01 3.84 -4.381982345e-01 3.86 -4.176719252e-01 3.88 -3.986340578e-01 3.90 -3.809381591e-01 3.92 -3.644513152e-01 3.94 -3.490537708e-01 3.96 -3.346382332e-01 3.98 -3.211089976e-01 4.00 -3.083809809e-01 4.02 -2.963787278e-01 4.04 -2.850354273e-01 4.06 -2.742919786e-01 4.08 -2.640961155e-01 4.10 -2.544014417e-01 4.12 -2.451667853e-01 4.14 -2.363561461e-01 4.16 -2.279374201e-01 4.18 -2.198819183e-01 4.20 -2.121639558e-01 4.22 -2.047604719e-01 4.24 -1.976506880e-01 4.26 -1.908158010e-01 4.28 -1.842387128e-01 4.30 -1.779037910e-01 4.32 -1.717966596e-01 4.34 -1.659040154e-01 4.36 -1.602134670e-01 4.38 -1.547133936e-01 4.40 -1.493928226e-01 4.42 -1.442413211e-01 4.44 -1.392489024e-01 4.46 -1.344059443e-01 4.48 -1.297031194e-01 4.50 -1.251313359e-01 4.52 -1.206816903e-01 4.54 -1.163454303e-01 4.56 -1.121139309e-01 4.58 -1.079786826e-01 4.60 -1.039312957e-01 4.62 -9.996352069e-02 4.64 -9.606728855e-02 4.66 -9.223477235e-02 4.68 -8.845847333e-02 4.70 -8.473133321e-02 4.72 -8.104687410e-02 4.74 -7.739936579e-02 4.76 -7.378401844e-02 4.78 -7.019719568e-02 4.80 -6.663663896e-02 4.82 -6.310169550e-02 4.84 -5.959352092e-02 4.86 -5.611525258e-02 4.88 -5.267211744e-02 4.90 -4.927145544e-02 4.92 -4.592263587e-02 4.94 -4.263684997e-02 4.96 -3.942677346e-02 4.98 -3.630610657e-02 5.00 -3.328901121e-02 5.02 -3.038948097e-02 5.04 -2.762068990e-02 5.06 -2.499437239e-02 5.08 -2.252014205e-02 5.10 -2.020511228e-02 5.12 -1.805419319e-02 5.14 -1.606950952e-02 5.16 -1.425044837e-02 5.18 -1.259387146e-02 5.20 -1.109443461e-02 5.22 -9.744976617e-03 5.24 -8.536940137e-03 5.26 -7.460791435e-03 5.28 -6.506412977e-03 5.30 -5.663450706e-03 5.32 -4.921605687e-03 5.34 -4.270866484e-03 5.36 -3.701683738e-03 5.38 -3.205091980e-03 5.40 -2.772785747e-03 5.42 -2.397157962e-03 5.44 -2.071308480e-03 5.46 -1.789030169e-03 5.48 -1.544778924e-03 5.50 -1.333633000e-03 5.52 -1.151245971e-03 5.54 -9.937966666e-04 5.56 -8.579385618e-04 5.58 -7.407503942e-04 5.60 -6.396892131e-04 5.62 -5.525465983e-04 5.64 -4.774084565e-04 5.66 -4.126185492e-04 5.68 -3.567457317e-04 5.70 -3.085547614e-04 5.72 -2.669804593e-04 5.74 -2.311049668e-04 5.76 -2.001378169e-04 5.78 -1.733985409e-04 5.80 -1.503015353e-04 5.82 -1.303429314e-04 5.84 -1.130892269e-04 5.86 -9.816746331e-05 5.88 -8.525674951e-05 5.90 -7.408095825e-05 5.92 -6.440243854e-05 5.94 -5.601660751e-05 5.96 -4.874730148e-05 5.98 -4.244278171e-05 6.00 -3.697230385e-05