# 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 = AgZr2 # 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 4.480792349e+02 1.16 4.152779247e+02 1.18 3.850278498e+02 1.20 3.571055613e+02 1.22 3.313081904e+02 1.24 3.074539341e+02 1.26 2.853812965e+02 1.28 2.649459188e+02 1.30 2.460167648e+02 1.32 2.284735251e+02 1.34 2.122053833e+02 1.36 1.971108203e+02 1.38 1.830977629e+02 1.40 1.700829731e+02 1.42 1.579905329e+02 1.44 1.467503460e+02 1.46 1.362973634e+02 1.48 1.265715764e+02 1.50 1.175182284e+02 1.52 1.090877306e+02 1.54 1.012349973e+02 1.56 9.391871484e+01 1.58 8.710085056e+01 1.60 8.074635264e+01 1.62 7.482276188e+01 1.64 6.929985074e+01 1.66 6.414932243e+01 1.68 5.934469660e+01 1.70 5.486139893e+01 1.72 5.067676106e+01 1.74 4.676992847e+01 1.76 4.312168165e+01 1.78 3.971429116e+01 1.80 3.653173415e+01 1.82 3.356007325e+01 1.84 3.078511757e+01 1.86 2.819351820e+01 1.88 2.577301419e+01 1.90 2.351347635e+01 1.92 2.140485099e+01 1.94 1.943759856e+01 1.96 1.760291459e+01 1.98 1.589261651e+01 2.00 1.429907143e+01 2.02 1.281511801e+01 2.04 1.143399004e+01 2.06 1.014924528e+01 2.08 8.954703556e+00 2.10 7.844436557e+00 2.12 6.812776643e+00 2.14 5.854353658e+00 2.16 4.964140598e+00 2.18 4.137460811e+00 2.20 3.369987181e+00 2.22 2.657690722e+00 2.24 1.996812193e+00 2.26 1.383861719e+00 2.28 8.156194916e-01 2.30 2.891887356e-01 2.32 -1.980437664e-01 2.34 -6.484208426e-01 2.36 -1.064089206e+00 2.38 -1.447060876e+00 2.40 -1.799268450e+00 2.42 -2.122613908e+00 2.44 -2.418976626e+00 2.46 -2.690218908e+00 2.48 -2.938157933e+00 2.50 -3.164528005e+00 2.52 -3.370945251e+00 2.54 -3.558886809e+00 2.56 -3.729698347e+00 2.58 -3.884752134e+00 2.60 -4.025042199e+00 2.62 -4.151407983e+00 2.64 -4.264668173e+00 2.66 -4.365608015e+00 2.68 -4.454988978e+00 2.70 -4.533544520e+00 2.72 -4.601976897e+00 2.74 -4.660780960e+00 2.76 -4.710183503e+00 2.78 -4.750447218e+00 2.80 -4.781897954e+00 2.82 -4.804877314e+00 2.84 -4.819749028e+00 2.86 -4.826884659e+00 2.88 -4.826659293e+00 2.90 -4.819450050e+00 2.92 -4.805635937e+00 2.94 -4.785597962e+00 2.96 -4.759718918e+00 2.98 -4.728382649e+00 3.00 -4.691972879e+00 3.02 -4.650871825e+00 3.04 -4.605451902e+00 3.06 -4.556104483e+00 3.08 -4.503192220e+00 3.10 -4.447083014e+00 3.12 -4.388139022e+00 3.14 -4.326725573e+00 3.16 -4.263194694e+00 3.18 -4.197891883e+00 3.20 -4.131147852e+00 3.22 -4.063272811e+00 3.24 -3.994552141e+00 3.26 -3.925244650e+00 3.28 -3.855629229e+00 3.30 -3.785974974e+00 3.32 -3.716386403e+00 3.34 -3.646957301e+00 3.36 -3.577774817e+00 3.38 -3.508916772e+00 3.40 -3.440446881e+00 3.42 -3.372424775e+00 3.44 -3.304889200e+00 3.46 -3.237872079e+00 3.48 -3.171398624e+00 3.50 -3.105492504e+00 3.52 -3.040172743e+00 3.54 -2.975453651e+00 3.56 -2.911345353e+00 3.58 -2.847853866e+00 3.60 -2.784980947e+00 3.62 -2.722723953e+00 3.64 -2.661075934e+00 3.66 -2.600026136e+00 3.68 -2.539561106e+00 3.70 -2.479666507e+00 3.72 -2.420329716e+00 3.74 -2.361543169e+00 3.76 -2.303308243e+00 3.78 -2.245639295e+00 3.80 -2.188567245e+00 3.82 -2.132141954e+00 3.84 -2.076432575e+00 3.86 -2.021525287e+00 3.88 -1.967518236e+00 3.90 -1.914514116e+00 3.92 -1.862606687e+00 3.94 -1.811892418e+00 3.96 -1.762431822e+00 3.98 -1.714267863e+00 4.00 -1.667419001e+00 4.02 -1.621881059e+00 4.04 -1.577631082e+00 4.06 -1.534632225e+00 4.08 -1.492838745e+00 4.10 -1.452195846e+00 4.12 -1.412662547e+00 4.14 -1.374183813e+00 4.16 -1.336713597e+00 4.18 -1.300210013e+00 4.20 -1.264635613e+00 4.22 -1.229957258e+00 4.24 -1.196145736e+00 4.26 -1.163175238e+00 4.28 -1.131022783e+00 4.30 -1.099667653e+00 4.32 -1.069090865e+00 4.34 -1.039274712e+00 4.36 -1.010202372e+00 4.38 -9.818575930e-01 4.40 -9.542244415e-01 4.42 -9.272871139e-01 4.44 -9.010297962e-01 4.46 -8.754365660e-01 4.48 -8.504913281e-01 4.50 -8.261777764e-01 4.52 -8.024793773e-01 4.54 -7.793793705e-01 4.56 -7.568607848e-01 4.58 -7.349064679e-01 4.60 -7.134991303e-01 4.62 -6.926214038e-01 4.64 -6.722559165e-01 4.66 -6.523853857e-01 4.68 -6.329927304e-01 4.70 -6.140612057e-01 4.72 -5.955745581e-01 4.74 -5.775172025e-01 4.76 -5.598744180e-01 4.78 -5.426325561e-01 4.80 -5.257710438e-01 4.82 -5.092968311e-01 4.84 -4.931908916e-01 4.86 -4.774459165e-01 4.88 -4.620565074e-01 4.90 -4.470191837e-01 4.92 -4.323322893e-01 4.94 -4.179957849e-01 4.96 -4.040109209e-01 4.98 -3.903797987e-01 5.00 -3.771048406e-01 5.02 -3.641882011e-01 5.04 -3.516311654e-01 5.06 -3.394335841e-01 5.08 -3.275933935e-01 5.10 -3.161062648e-01 5.12 -3.049654124e-01 5.14 -2.941615771e-01 5.16 -2.836831831e-01 5.18 -2.735166559e-01 5.20 -2.636468742e-01 5.22 -2.540577264e-01 5.24 -2.447327380e-01 5.26 -2.356557362e-01 5.28 -2.268115205e-01 5.30 -2.181865076e-01 5.32 -2.097693217e-01 5.34 -2.015512986e-01 5.36 -1.935268707e-01 5.38 -1.856938012e-01 5.40 -1.780532375e-01 5.42 -1.706095598e-01 5.44 -1.633700143e-01 5.46 -1.563441391e-01 5.48 -1.495430088e-01 5.50 -1.429783487e-01 5.52 -1.366615909e-01 5.54 -1.306029486e-01 5.56 -1.248105909e-01 5.58 -1.192899863e-01 5.60 -1.140432872e-01 5.62 -1.090691335e-01 5.64 -1.043635002e-01 5.66 -9.991921457e-02 5.68 -9.572632229e-02 5.70 -9.177260050e-02 5.72 -8.804411325e-02 5.74 -8.452576190e-02 5.76 -8.120179346e-02 5.78 -7.805624286e-02 5.80 -7.507329676e-02 5.82 -7.223757652e-02 5.84 -6.953434476e-02 5.86 -6.694964501e-02 5.88 -6.447038601e-02 5.90 -6.208438302e-02 5.92 -5.978036846e-02 5.94 -5.754798247e-02 5.96 -5.537775282e-02 5.98 -5.326107202e-02 6.00 -5.119017749e-02