# 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 = Au2Pb # 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 4.957076332e+02 1.16 4.600053815e+02 1.18 4.270485724e+02 1.20 3.966022302e+02 1.22 3.684521551e+02 1.24 3.424029268e+02 1.26 3.182763142e+02 1.28 2.959102214e+02 1.30 2.751582933e+02 1.32 2.558890246e+02 1.34 2.379838955e+02 1.36 2.213353377e+02 1.38 2.058454351e+02 1.40 1.914250736e+02 1.42 1.779931232e+02 1.44 1.654758597e+02 1.46 1.538064016e+02 1.48 1.429236581e+02 1.50 1.327710064e+02 1.52 1.232953859e+02 1.54 1.144470084e+02 1.56 1.061793880e+02 1.58 9.844936734e+01 1.60 9.121882991e+01 1.62 8.448059222e+01 1.64 7.820847366e+01 1.66 7.237186973e+01 1.68 6.694643249e+01 1.70 6.190274430e+01 1.72 5.721351860e+01 1.74 5.285357217e+01 1.76 4.879968190e+01 1.78 4.503039699e+01 1.80 4.152578009e+01 1.82 3.826715197e+01 1.84 3.523698672e+01 1.86 3.241892726e+01 1.88 2.979786568e+01 1.90 2.735997108e+01 1.92 2.509263248e+01 1.94 2.298431186e+01 1.96 2.102436768e+01 1.98 1.920288397e+01 2.00 1.751054553e+01 2.02 1.593856947e+01 2.04 1.447867678e+01 2.06 1.312308637e+01 2.08 1.186451725e+01 2.10 1.069619056e+01 2.12 9.611822467e+00 2.14 8.605606304e+00 2.16 7.672180676e+00 2.18 6.806590253e+00 2.20 6.004243807e+00 2.22 5.260880250e+00 2.24 4.572541318e+00 2.26 3.935550140e+00 2.28 3.346491787e+00 2.30 2.802193573e+00 2.32 2.299703775e+00 2.34 1.836271695e+00 2.36 1.409326669e+00 2.38 1.016459011e+00 2.40 6.554025528e-01 2.42 3.240199658e-01 2.44 2.029146579e-02 2.46 -2.576920563e-01 2.48 -5.117320549e-01 2.50 -7.435223557e-01 2.52 -9.546479345e-01 2.54 -1.146665461e+00 2.56 -1.321076606e+00 2.58 -1.478935187e+00 2.60 -1.621241071e+00 2.62 -1.748962837e+00 2.64 -1.863037351e+00 2.66 -1.964363044e+00 2.68 -2.053798306e+00 2.70 -2.132155310e+00 2.72 -2.200183894e+00 2.74 -2.258582892e+00 2.76 -2.308009900e+00 2.78 -2.349082197e+00 2.80 -2.382379403e+00 2.82 -2.408443404e+00 2.84 -2.427781431e+00 2.86 -2.440867868e+00 2.88 -2.448147000e+00 2.90 -2.450036648e+00 2.92 -2.446932887e+00 2.94 -2.439215808e+00 2.96 -2.427256016e+00 2.98 -2.411421136e+00 3.00 -2.392081215e+00 3.02 -2.369611692e+00 3.04 -2.344392736e+00 3.06 -2.316804457e+00 3.08 -2.287236550e+00 3.10 -2.256070614e+00 3.12 -2.223587259e+00 3.14 -2.190040623e+00 3.16 -2.155651343e+00 3.18 -2.120609530e+00 3.20 -2.085074764e+00 3.22 -2.049178755e+00 3.24 -2.013028218e+00 3.26 -1.976701819e+00 3.28 -1.940251655e+00 3.30 -1.903717394e+00 3.32 -1.867130027e+00 3.34 -1.830514924e+00 3.36 -1.793894652e+00 3.38 -1.757291295e+00 3.40 -1.720727881e+00 3.42 -1.684230235e+00 3.44 -1.647825815e+00 3.46 -1.611544542e+00 3.48 -1.575418002e+00 3.50 -1.539478779e+00 3.52 -1.503759771e+00 3.54 -1.468293621e+00 3.56 -1.433112305e+00 3.58 -1.398246933e+00 3.60 -1.363727734e+00 3.62 -1.329584206e+00 3.64 -1.295845344e+00 3.66 -1.262539857e+00 3.68 -1.229696260e+00 3.70 -1.197342760e+00 3.72 -1.165506835e+00 3.74 -1.134214533e+00 3.76 -1.103489519e+00 3.78 -1.073352023e+00 3.80 -1.043817839e+00 3.82 -1.014897574e+00 3.84 -9.865962421e-01 3.86 -9.589132884e-01 3.88 -9.318429943e-01 3.90 -9.053751831e-01 3.92 -8.794960931e-01 3.94 -8.541893008e-01 3.96 -8.294365814e-01 3.98 -8.052186639e-01 4.00 -7.815158492e-01 4.02 -7.583085086e-01 4.04 -7.355774973e-01 4.06 -7.133045276e-01 4.08 -6.914725431e-01 4.10 -6.700647125e-01 4.12 -6.490708313e-01 4.14 -6.284785061e-01 4.16 -6.082802673e-01 4.18 -5.884723719e-01 4.20 -5.690552616e-01 4.22 -5.500338527e-01 4.24 -5.314175711e-01 4.26 -5.132200517e-01 4.28 -4.954584537e-01 4.30 -4.781523860e-01 4.32 -4.613224996e-01 4.34 -4.449888595e-01 4.36 -4.291692580e-01 4.38 -4.138776534e-01 4.40 -3.991229040e-01 4.42 -3.849079283e-01 4.44 -3.712293544e-01 4.46 -3.580776532e-01 4.48 -3.454376842e-01 4.50 -3.332895448e-01 4.52 -3.216095947e-01 4.54 -3.103715339e-01 4.56 -2.995474378e-01 4.58 -2.891086801e-01 4.60 -2.790267089e-01 4.62 -2.692736675e-01 4.64 -2.598228704e-01 4.66 -2.506491583e-01 4.68 -2.417291621e-01 4.70 -2.330415043e-01 4.72 -2.245669649e-01 4.74 -2.162886313e-01 4.76 -2.081920463e-01 4.78 -2.002653581e-01 4.80 -1.924984560e-01 4.82 -1.848873182e-01 4.84 -1.774275333e-01 4.86 -1.701189356e-01 4.88 -1.629643657e-01 4.90 -1.559695251e-01 4.92 -1.491426992e-01 4.94 -1.424943363e-01 4.96 -1.360364885e-01 4.98 -1.297821315e-01 5.00 -1.237444027e-01 5.02 -1.179358094e-01 5.04 -1.123674629e-01 5.06 -1.070484026e-01 5.08 -1.019850684e-01 5.10 -9.718095035e-02 5.12 -9.263643286e-02 5.14 -8.834882652e-02 5.16 -8.431257546e-02 5.18 -8.051959818e-02 5.20 -7.695965647e-02 5.22 -7.362017384e-02 5.24 -7.048856036e-02 5.26 -6.755168842e-02 5.28 -6.479593011e-02 5.30 -6.220758425e-02 5.32 -5.977321076e-02 5.34 -5.747987822e-02 5.36 -5.531533444e-02 5.38 -5.326811244e-02 5.40 -5.132758413e-02 5.42 -4.948397373e-02 5.44 -4.772834144e-02 5.46 -4.605254635e-02 5.48 -4.444919587e-02 5.50 -4.291158761e-02 5.52 -4.143364791e-02 5.54 -4.000987057e-02 5.56 -3.863525786e-02 5.58 -3.730526568e-02 5.60 -3.601575374e-02 5.62 -3.476294164e-02 5.64 -3.354337074e-02 5.66 -3.235387278e-02 5.68 -3.119154462e-02 5.70 -3.005372935e-02 5.72 -2.893800346e-02 5.74 -2.784216995e-02 5.76 -2.676425703e-02 5.78 -2.570252192e-02 5.80 -2.465545941e-02 5.82 -2.362181421e-02 5.84 -2.260059627e-02 5.86 -2.159109789e-02 5.88 -2.059291116e-02 5.90 -1.960594400e-02 5.92 -1.863043295e-02 5.94 -1.766693084e-02 5.96 -1.671623602e-02 5.98 -1.577959267e-02 6.00 -1.485857201e-02