# 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 = Ag2Au # 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 3.596424628e+02 1.16 3.319059776e+02 1.18 3.064009238e+02 1.20 2.829281188e+02 1.22 2.613068918e+02 1.24 2.413750045e+02 1.26 2.229871807e+02 1.28 2.060126550e+02 1.30 1.903330137e+02 1.32 1.758408234e+02 1.34 1.624387548e+02 1.36 1.500386659e+02 1.38 1.385603714e+02 1.40 1.279303841e+02 1.42 1.180810886e+02 1.44 1.089504548e+02 1.46 1.004820203e+02 1.48 9.262474365e+01 1.50 8.533245569e+01 1.52 7.856398800e+01 1.54 7.229613775e+01 1.56 6.649794251e+01 1.58 6.113580378e+01 1.60 5.617574974e+01 1.62 5.158663069e+01 1.64 4.734002070e+01 1.66 4.340999721e+01 1.68 3.977285692e+01 1.70 3.640682067e+01 1.72 3.329177995e+01 1.74 3.040911036e+01 1.76 2.774154094e+01 1.78 2.527305780e+01 1.80 2.298883798e+01 1.82 2.087521287e+01 1.84 1.891963727e+01 1.86 1.711062876e+01 1.88 1.543766259e+01 1.90 1.389103821e+01 1.92 1.246174852e+01 1.94 1.114138118e+01 1.96 9.922066805e+00 1.98 8.796466410e+00 2.00 7.757771960e+00 2.02 6.799694070e+00 2.04 5.916427433e+00 2.06 5.102601605e+00 2.08 4.353230095e+00 2.10 3.663666820e+00 2.12 3.029572934e+00 2.14 2.446893486e+00 2.16 1.911842733e+00 2.18 1.420897251e+00 2.20 9.707948952e-01 2.22 5.585352675e-01 2.24 1.813760486e-01 2.26 -1.631787655e-01 2.28 -4.773989987e-01 2.30 -7.633540822e-01 2.32 -1.022940998e+00 2.34 -1.257911513e+00 2.36 -1.469896883e+00 2.38 -1.660428851e+00 2.40 -1.830956314e+00 2.42 -1.982857659e+00 2.44 -2.117451852e+00 2.46 -2.236098725e+00 2.48 -2.339962531e+00 2.50 -2.430094877e+00 2.52 -2.507526182e+00 2.54 -2.573264094e+00 2.56 -2.628293231e+00 2.58 -2.673574810e+00 2.60 -2.710042764e+00 2.62 -2.738608286e+00 2.64 -2.760388515e+00 2.66 -2.775945112e+00 2.68 -2.785654278e+00 2.70 -2.789876794e+00 2.72 -2.788943277e+00 2.74 -2.783150750e+00 2.76 -2.772766883e+00 2.78 -2.758039281e+00 2.80 -2.739218560e+00 2.82 -2.716552907e+00 2.84 -2.690279648e+00 2.86 -2.660628429e+00 2.88 -2.627823735e+00 2.90 -2.592087571e+00 2.92 -2.553643039e+00 2.94 -2.512719153e+00 2.96 -2.469556714e+00 2.98 -2.424414441e+00 3.00 -2.377573917e+00 3.02 -2.329341505e+00 3.04 -2.280045404e+00 3.06 -2.230026835e+00 3.08 -2.179625720e+00 3.10 -2.129163081e+00 3.12 -2.078923567e+00 3.14 -2.029141824e+00 3.16 -1.979995288e+00 3.18 -1.931604228e+00 3.20 -1.884037933e+00 3.22 -1.837324834e+00 3.24 -1.791464070e+00 3.26 -1.746436498e+00 3.28 -1.702213907e+00 3.30 -1.658765939e+00 3.32 -1.616064770e+00 3.34 -1.574087884e+00 3.36 -1.532819347e+00 3.38 -1.492250015e+00 3.40 -1.452376999e+00 3.42 -1.413202689e+00 3.44 -1.374733520e+00 3.46 -1.336978676e+00 3.48 -1.299948813e+00 3.50 -1.263654908e+00 3.52 -1.228107270e+00 3.54 -1.193314730e+00 3.56 -1.159284026e+00 3.58 -1.126019353e+00 3.60 -1.093522074e+00 3.62 -1.061790563e+00 3.64 -1.030820165e+00 3.66 -1.000603248e+00 3.68 -9.711293510e-01 3.70 -9.423854031e-01 3.72 -9.143560189e-01 3.74 -8.870238551e-01 3.76 -8.603700204e-01 3.78 -8.343745235e-01 3.80 -8.090167375e-01 3.82 -7.842758559e-01 3.84 -7.601313124e-01 3.86 -7.365631373e-01 3.88 -7.135522283e-01 3.90 -6.910805194e-01 3.92 -6.691310450e-01 3.94 -6.476879111e-01 3.96 -6.267361788e-01 3.98 -6.062617067e-01 4.00 -5.862509720e-01 4.02 -5.666909096e-01 4.04 -5.475688038e-01 4.06 -5.288722600e-01 4.08 -5.105892778e-01 4.10 -4.927084364e-01 4.12 -4.752192077e-01 4.14 -4.581123487e-01 4.16 -4.413803994e-01 4.18 -4.250182059e-01 4.20 -4.090234280e-01 4.22 -3.933969589e-01 4.24 -3.781431780e-01 4.26 -3.632699580e-01 4.28 -3.487883639e-01 4.30 -3.347120084e-01 4.32 -3.210560728e-01 4.34 -3.078360525e-01 4.36 -2.950663390e-01 4.38 -2.827587816e-01 4.40 -2.709213897e-01 4.42 -2.595573176e-01 4.44 -2.486642332e-01 4.46 -2.382341155e-01 4.48 -2.282534627e-01 4.50 -2.187038464e-01 4.52 -2.095627102e-01 4.54 -2.008043061e-01 4.56 -1.924006678e-01 4.58 -1.843225405e-01 4.60 -1.765402170e-01 4.62 -1.690242531e-01 4.64 -1.617460600e-01 4.66 -1.546783865e-01 4.68 -1.477957139e-01 4.70 -1.410745881e-01 4.72 -1.344939165e-01 4.74 -1.280352472e-01 4.76 -1.216830458e-01 4.78 -1.154249733e-01 4.80 -1.092521577e-01 4.82 -1.031594571e-01 4.84 -9.714565583e-02 4.86 -9.121360613e-02 4.88 -8.537024398e-02 4.90 -7.962645514e-02 4.92 -7.399675822e-02 4.94 -6.849878537e-02 4.96 -6.315256092e-02 4.98 -5.797959700e-02 5.00 -5.300185590e-02 5.02 -4.824064656e-02 5.04 -4.371553447e-02 5.06 -3.944335142e-02 5.08 -3.543738319e-02 5.10 -3.170649095e-02 5.12 -2.825520787e-02 5.14 -2.508412890e-02 5.16 -2.218950517e-02 5.18 -1.956368852e-02 5.20 -1.719562402e-02 5.22 -1.507157685e-02 5.24 -1.317622533e-02 5.26 -1.149294628e-02 5.28 -1.000443453e-02 5.30 -8.693251611e-03 5.32 -7.542272393e-03 5.34 -6.535029062e-03 5.36 -5.655959194e-03 5.38 -4.890569186e-03 5.40 -4.225526565e-03 5.42 -3.648695171e-03 5.44 -3.149126503e-03 5.46 -2.717019056e-03 5.48 -2.343655718e-03 5.50 -2.021327396e-03 5.52 -1.743249317e-03 5.54 -1.503474824e-03 5.56 -1.296810206e-03 5.58 -1.118732968e-03 5.60 -9.653151019e-04 5.62 -8.331522765e-04 5.64 -7.192993394e-04 5.66 -6.212122138e-04 5.68 -5.366960051e-04 5.70 -4.638589888e-04 5.72 -4.010720585e-04 5.74 -3.469331604e-04 5.76 -3.002362321e-04 5.78 -2.599441694e-04 5.80 -2.251653652e-04 5.82 -1.951334001e-04 5.84 -1.691894934e-04 5.86 -1.467673682e-04 5.88 -1.273802132e-04 5.90 -1.106094648e-04 5.92 -9.609516384e-05 5.94 -8.352767184e-05 5.96 -7.264055818e-05 5.98 -6.320449633e-05 6.00 -5.502202667e-05