# 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 = Ag2Pd # 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 3.268656851e+02 1.16 3.015206568e+02 1.18 2.782158177e+02 1.20 2.567649060e+02 1.22 2.370019028e+02 1.24 2.187797813e+02 1.26 2.019670233e+02 1.28 1.864448510e+02 1.30 1.721059767e+02 1.32 1.588537418e+02 1.34 1.466006233e+02 1.36 1.352662784e+02 1.38 1.247760323e+02 1.40 1.150604369e+02 1.42 1.060557352e+02 1.44 9.770451866e+01 1.46 8.995586512e+01 1.48 8.276463494e+01 1.50 7.609186339e+01 1.52 6.992427290e+01 1.54 6.423060693e+01 1.56 5.897310380e+01 1.58 5.411667953e+01 1.60 4.962910961e+01 1.62 4.548112223e+01 1.64 4.164636376e+01 1.66 3.810117446e+01 1.68 3.482416086e+01 1.70 3.179567109e+01 1.72 2.899734808e+01 1.74 2.641188626e+01 1.76 2.402299629e+01 1.78 2.181549017e+01 1.80 1.977538490e+01 1.82 1.788994865e+01 1.84 1.614764861e+01 1.86 1.453800540e+01 1.88 1.305140423e+01 1.90 1.167892776e+01 1.92 1.041225463e+01 1.94 9.243627555e+00 1.96 8.165860419e+00 1.98 7.172341157e+00 2.00 6.257001322e+00 2.02 5.414251166e+00 2.04 4.638901700e+00 2.06 3.926098700e+00 2.08 3.271281526e+00 2.10 2.670165326e+00 2.12 2.118737439e+00 2.14 1.613258363e+00 2.16 1.150261719e+00 2.18 7.265522246e-01 2.20 3.392023988e-01 2.22 -1.445286190e-02 2.24 -3.368264954e-01 2.26 -6.300964844e-01 2.28 -8.962299387e-01 2.30 -1.137011876e+00 2.32 -1.354076039e+00 2.34 -1.548935503e+00 2.36 -1.723011531e+00 2.38 -1.877659652e+00 2.40 -2.014200676e+00 2.42 -2.134319409e+00 2.44 -2.239315570e+00 2.46 -2.330233005e+00 2.48 -2.408154989e+00 2.50 -2.474181045e+00 2.52 -2.529394584e+00 2.54 -2.574828033e+00 2.56 -2.611473386e+00 2.58 -2.640508075e+00 2.60 -2.662535795e+00 2.62 -2.678017392e+00 2.64 -2.687406238e+00 2.66 -2.691135218e+00 2.68 -2.689604344e+00 2.70 -2.683172458e+00 2.72 -2.672157283e+00 2.74 -2.656855034e+00 2.76 -2.637538218e+00 2.78 -2.614455739e+00 2.80 -2.587844740e+00 2.82 -2.557940945e+00 2.84 -2.524987040e+00 2.86 -2.489238804e+00 2.88 -2.450968540e+00 2.90 -2.410465221e+00 2.92 -2.368031007e+00 2.94 -2.323974622e+00 2.96 -2.278603029e+00 2.98 -2.232213549e+00 3.00 -2.185088275e+00 3.02 -2.137491483e+00 3.04 -2.089669178e+00 3.06 -2.041848955e+00 3.08 -1.994238377e+00 3.10 -1.947021303e+00 3.12 -1.900352921e+00 3.14 -1.854355298e+00 3.16 -1.809115206e+00 3.18 -1.764685238e+00 3.20 -1.721088064e+00 3.22 -1.678322852e+00 3.24 -1.636372522e+00 3.26 -1.595210667e+00 3.28 -1.554807354e+00 3.30 -1.515133496e+00 3.32 -1.476163777e+00 3.34 -1.437878324e+00 3.36 -1.400263384e+00 3.38 -1.363311250e+00 3.40 -1.327019664e+00 3.42 -1.291390885e+00 3.44 -1.256430562e+00 3.46 -1.222146551e+00 3.48 -1.188547750e+00 3.50 -1.155643040e+00 3.52 -1.123440363e+00 3.54 -1.091945963e+00 3.56 -1.061163796e+00 3.58 -1.031095104e+00 3.60 -1.001738135e+00 3.62 -9.730879994e-01 3.64 -9.451366582e-01 3.66 -9.178730168e-01 3.68 -8.912831351e-01 3.70 -8.653505378e-01 3.72 -8.400566213e-01 3.74 -8.153811416e-01 3.76 -7.913027640e-01 3.78 -7.677996433e-01 3.80 -7.448499999e-01 3.82 -7.224326497e-01 3.84 -7.005274489e-01 3.86 -6.791156202e-01 3.88 -6.581799392e-01 3.90 -6.377047744e-01 3.92 -6.176759908e-01 3.94 -5.980807478e-01 3.96 -5.789072131e-01 3.98 -5.601442541e-01 4.00 -5.417811367e-01 4.02 -5.238072754e-01 4.04 -5.062120690e-01 4.06 -4.889848453e-01 4.08 -4.721149308e-01 4.10 -4.555918489e-01 4.12 -4.394056512e-01 4.14 -4.235473403e-01 4.16 -4.080093885e-01 4.18 -3.927862834e-01 4.20 -3.778750512e-01 4.22 -3.632756888e-01 4.24 -3.489914223e-01 4.26 -3.350287197e-01 4.28 -3.213969924e-01 4.30 -3.081079554e-01 4.32 -2.951746581e-01 4.34 -2.826102477e-01 4.36 -2.704265805e-01 4.38 -2.586328301e-01 4.40 -2.472342562e-01 4.42 -2.362312825e-01 4.44 -2.256189884e-01 4.46 -2.153870654e-01 4.48 -2.055202231e-01 4.50 -1.959989823e-01 4.52 -1.868007556e-01 4.54 -1.779011020e-01 4.56 -1.692750477e-01 4.58 -1.608983758e-01 4.60 -1.527488106e-01 4.62 -1.448070374e-01 4.64 -1.370575149e-01 4.66 -1.294890469e-01 4.68 -1.220950894e-01 4.70 -1.148737788e-01 4.72 -1.078276776e-01 4.74 -1.009632541e-01 4.76 -9.429013272e-02 4.78 -8.782017290e-02 4.80 -8.156645573e-02 4.82 -7.554227864e-02 4.84 -6.976021859e-02 4.86 -6.423137869e-02 4.88 -5.896484312e-02 4.90 -5.396736368e-02 4.92 -4.924326282e-02 4.94 -4.479414204e-02 4.96 -4.061959288e-02 4.98 -3.671794172e-02 5.00 -3.308567682e-02 5.02 -2.971770675e-02 5.04 -2.660756703e-02 5.06 -2.374756711e-02 5.08 -2.112889008e-02 5.10 -1.874167591e-02 5.12 -1.657510597e-02 5.14 -1.461750325e-02 5.16 -1.285647119e-02 5.18 -1.127906607e-02 5.20 -9.871944298e-03 5.22 -8.621597506e-03 5.24 -7.514759713e-03 5.26 -6.538415443e-03 5.28 -5.679978255e-03 5.30 -4.927445813e-03 5.32 -4.269518013e-03 5.34 -3.695678229e-03 5.36 -3.196240298e-03 5.38 -2.762365615e-03 5.40 -2.386055536e-03 5.42 -2.060124519e-03 5.44 -1.778159158e-03 5.46 -1.534467722e-03 5.48 -1.324024052e-03 5.50 -1.142408978e-03 5.52 -9.857516381e-04 5.54 -8.506724834e-04 5.56 -7.342291790e-04 5.58 -6.338661785e-04 5.60 -5.473684014e-04 5.62 -4.728191780e-04 5.64 -4.085624371e-04 5.66 -3.531689818e-04 5.68 -3.054066115e-04 5.70 -2.642138018e-04 5.72 -2.286766256e-04 5.74 -1.980085990e-04 5.76 -1.715331372e-04 5.78 -1.486683285e-04 5.80 -1.289137481e-04 5.82 -1.118390633e-04 5.84 -9.707420086e-05 5.86 -8.430087521e-05 5.88 -7.324529609e-05 5.90 -6.367189763e-05 5.92 -5.537794920e-05 5.94 -4.818892668e-05 5.96 -4.195453836e-05 5.98 -3.654531382e-05 6.00 -3.184967667e-05