# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ni2Pd # 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 2022-05-24 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 7.175047394e+02 0.86 6.483267435e+02 0.88 5.861601910e+02 0.90 5.302409878e+02 0.92 4.798997467e+02 0.94 4.345523445e+02 0.96 3.936887214e+02 0.98 3.568469900e+02 1.00 3.236171524e+02 1.02 2.936330288e+02 1.04 2.665718649e+02 1.06 2.421445919e+02 1.08 2.200843340e+02 1.10 2.001568312e+02 1.12 1.821444663e+02 1.14 1.658542139e+02 1.16 1.511183739e+02 1.18 1.377801226e+02 1.20 1.257012447e+02 1.22 1.147525091e+02 1.24 1.048253464e+02 1.26 9.581638878e+01 1.28 8.763315218e+01 1.30 8.019436111e+01 1.32 7.342663803e+01 1.34 6.726294935e+01 1.36 6.164690166e+01 1.38 5.652499461e+01 1.40 5.184597535e+01 1.42 4.756825587e+01 1.44 4.365610630e+01 1.46 4.007485765e+01 1.48 3.679253025e+01 1.50 3.378170975e+01 1.52 3.101833454e+01 1.54 2.847995609e+01 1.56 2.614545942e+01 1.58 2.399661676e+01 1.60 2.201852443e+01 1.62 2.019630774e+01 1.64 1.851669932e+01 1.66 1.696779091e+01 1.68 1.548264182e+01 1.70 1.413588701e+01 1.72 1.284645560e+01 1.74 1.161764389e+01 1.76 1.044938276e+01 1.78 9.340555486e+00 1.80 8.291076125e+00 1.82 7.300398231e+00 1.84 6.367318731e+00 1.86 5.490312409e+00 1.88 4.665899424e+00 1.90 3.894584550e+00 1.92 3.174958364e+00 1.94 2.506241422e+00 1.96 1.884534058e+00 1.98 1.307877065e+00 2.00 7.742861847e-01 2.02 2.817702380e-01 2.04 -1.716536532e-01 2.06 -5.879473514e-01 2.08 -9.690751089e-01 2.10 -1.317269200e+00 2.12 -1.634329692e+00 2.14 -1.921336162e+00 2.16 -2.180000657e+00 2.18 -2.412413515e+00 2.20 -2.620190424e+00 2.22 -2.804885605e+00 2.24 -2.967990317e+00 2.26 -3.110576995e+00 2.28 -3.234232440e+00 2.30 -3.340437627e+00 2.32 -3.430505940e+00 2.34 -3.505520130e+00 2.36 -3.566606613e+00 2.38 -3.614833754e+00 2.40 -3.651225954e+00 2.42 -3.677230718e+00 2.44 -3.693217526e+00 2.46 -3.700029196e+00 2.48 -3.698463349e+00 2.50 -3.687789145e+00 2.52 -3.670605903e+00 2.54 -3.647597892e+00 2.56 -3.619035222e+00 2.58 -3.585483267e+00 2.60 -3.547470071e+00 2.62 -3.505487065e+00 2.64 -3.459990746e+00 2.66 -3.411404417e+00 2.68 -3.360119889e+00 2.70 -3.306499126e+00 2.72 -3.250875982e+00 2.74 -3.193557726e+00 2.76 -3.134828865e+00 2.78 -3.075344725e+00 2.80 -3.015173804e+00 2.82 -2.954259926e+00 2.84 -2.892845262e+00 2.86 -2.830160947e+00 2.88 -2.767117933e+00 2.90 -2.704116864e+00 2.92 -2.641277821e+00 2.94 -2.578774695e+00 2.96 -2.517689727e+00 2.98 -2.457050592e+00 3.00 -2.396924108e+00 3.02 -2.337387690e+00 3.04 -2.278509322e+00 3.06 -2.220349404e+00 3.08 -2.162958234e+00 3.10 -2.106372652e+00 3.12 -2.050699750e+00 3.14 -1.995924924e+00 3.16 -1.941795846e+00 3.18 -1.888309517e+00 3.20 -1.835728017e+00 3.22 -1.784176121e+00 3.24 -1.733627654e+00 3.26 -1.684505602e+00 3.28 -1.636520285e+00 3.30 -1.589511862e+00 3.32 -1.543486019e+00 3.34 -1.498438717e+00 3.36 -1.454362908e+00 3.38 -1.411261751e+00 3.40 -1.369119593e+00 3.42 -1.327870802e+00 3.44 -1.287461224e+00 3.46 -1.247887659e+00 3.48 -1.209196756e+00 3.50 -1.171439559e+00 3.52 -1.134630916e+00 3.54 -1.098750598e+00 3.56 -1.063748361e+00 3.58 -1.029605879e+00 3.60 -9.963179709e-01 3.62 -9.638833567e-01 3.64 -9.323038355e-01 3.66 -9.015351073e-01 3.68 -8.714030793e-01 3.70 -8.419540402e-01 3.72 -8.132512181e-01 3.74 -7.853725248e-01 3.76 -7.583752168e-01 3.78 -7.322991641e-01 3.80 -7.071697639e-01 3.82 -6.830663677e-01 3.84 -6.601127260e-01 3.86 -6.380500089e-01 3.88 -6.166096072e-01 3.90 -5.955898753e-01 3.92 -5.748437350e-01 3.94 -5.542681207e-01 3.96 -5.337951473e-01 3.98 -5.133847458e-01 4.00 -4.930185498e-01 4.02 -4.726948376e-01 4.04 -4.524243763e-01 4.06 -4.322197508e-01 4.08 -4.120369262e-01 4.10 -3.919085369e-01 4.12 -3.719917167e-01 4.14 -3.524236188e-01 4.16 -3.335877028e-01 4.18 -3.169882996e-01 4.20 -3.008920816e-01 4.22 -2.853313146e-01 4.24 -2.703221379e-01 4.26 -2.558750122e-01 4.28 -2.419942082e-01 4.30 -2.286789165e-01 4.32 -2.159241909e-01 4.34 -2.037217517e-01 4.36 -1.920606680e-01 4.38 -1.809279320e-01 4.40 -1.703089453e-01 4.42 -1.601879278e-01 4.44 -1.505482587e-01 4.46 -1.413727635e-01 4.48 -1.326439486e-01 4.50 -1.243441966e-01 4.52 -1.164559256e-01 4.54 -1.089617182e-01 4.56 -1.018444271e-01 4.58 -9.508725532e-02 4.60 -8.867382116e-02 4.62 -8.258820634e-02 4.64 -7.681499168e-02 4.66 -7.133928314e-02 4.68 -6.614672720e-02 4.70 -6.122351968e-02 4.72 -5.655640870e-02 4.74 -5.213269235e-02 4.76 -4.794021302e-02 4.78 -4.397151107e-02 4.80 -4.023736151e-02 4.82 -3.736410478e-02 4.84 -3.466754201e-02 4.86 -3.211215890e-02 4.88 -2.968899922e-02 4.90 -2.739145742e-02 4.92 -2.521323465e-02 4.94 -2.314832788e-02 4.96 -2.119101881e-02 4.98 -1.933586278e-02 5.00 -1.757767763e-02 5.02 -1.591153280e-02 5.04 -1.433273849e-02 5.06 -1.283683510e-02 5.08 -1.141958294e-02 5.10 -1.007695222e-02 5.12 -8.805113389e-03 5.14 -7.600427767e-03 5.16 -6.459438565e-03 5.18 -5.378862233e-03 5.20 -4.355580142e-03 5.22 -3.386630613e-03 5.24 -2.469201287e-03 5.26 -1.600621843e-03 5.28 -7.788616223e-04 5.30 -1.216645423e-15 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00