# 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 = 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 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 nan 0.86 nan 0.88 6.751616269e+02 0.90 6.146669327e+02 0.92 5.605638243e+02 0.94 5.120879246e+02 0.96 4.685766950e+02 0.98 4.294491781e+02 1.00 3.942008805e+02 1.02 3.623861639e+02 1.04 3.336165651e+02 1.06 3.075517932e+02 1.08 2.838892052e+02 1.10 2.623685160e+02 1.12 2.427578042e+02 1.14 2.248518344e+02 1.16 2.084718495e+02 1.18 1.934590670e+02 1.20 1.796733643e+02 1.22 1.669900348e+02 1.24 1.553026775e+02 1.26 1.445148479e+02 1.28 1.345412601e+02 1.30 1.253039424e+02 1.32 1.167378051e+02 1.34 1.087837294e+02 1.36 1.013884022e+02 1.38 9.450483273e+01 1.40 8.809054377e+01 1.42 8.210672705e+01 1.44 7.652049733e+01 1.46 7.130087608e+01 1.48 6.642030219e+01 1.50 6.185417984e+01 1.52 5.757987418e+01 1.54 5.357637651e+01 1.56 4.982468471e+01 1.58 4.630753525e+01 1.60 4.301036007e+01 1.62 3.991822362e+01 1.64 3.701819671e+01 1.66 3.429816773e+01 1.68 3.174679694e+01 1.70 2.935353593e+01 1.72 2.706488581e+01 1.74 2.495677737e+01 1.76 2.297508719e+01 1.78 2.111127674e+01 1.80 1.935479043e+01 1.82 1.770965482e+01 1.84 1.616578329e+01 1.86 1.471752704e+01 1.88 1.335957669e+01 1.90 1.208696249e+01 1.92 1.089517861e+01 1.94 9.779867212e+00 1.96 8.736921979e+00 1.98 7.762155478e+00 2.00 6.852209011e+00 2.02 6.003623090e+00 2.04 5.213082008e+00 2.06 4.477436211e+00 2.08 3.793691227e+00 2.10 3.159001070e+00 2.12 2.570214247e+00 2.14 2.025060958e+00 2.16 1.521150567e+00 2.18 1.056372150e+00 2.20 6.283507081e-01 2.22 2.348915808e-01 2.24 -1.259988346e-01 2.26 -4.562371869e-01 2.28 -7.576709267e-01 2.30 -1.032085511e+00 2.32 -1.281212286e+00 2.34 -1.506564801e+00 2.36 -1.709229422e+00 2.38 -1.891014289e+00 2.40 -2.053350257e+00 2.42 -2.197599556e+00 2.44 -2.324832179e+00 2.46 -2.436312243e+00 2.48 -2.533167246e+00 2.50 -2.616446100e+00 2.52 -2.687140729e+00 2.54 -2.746188275e+00 2.56 -2.794473257e+00 2.58 -2.832829679e+00 2.60 -2.862046220e+00 2.62 -2.882543449e+00 2.64 -2.895270918e+00 2.66 -2.900957559e+00 2.68 -2.900215208e+00 2.70 -2.893616735e+00 2.72 -2.881697969e+00 2.74 -2.864959540e+00 2.76 -2.843864470e+00 2.78 -2.819258810e+00 2.80 -2.791418400e+00 2.82 -2.760403147e+00 2.84 -2.726567096e+00 2.86 -2.690118457e+00 2.88 -2.651336269e+00 2.90 -2.610690783e+00 2.92 -2.568602637e+00 2.94 -2.525094525e+00 2.96 -2.480439346e+00 2.98 -2.433943350e+00 3.00 -2.386433239e+00 3.02 -2.338366537e+00 3.04 -2.289885126e+00 3.06 -2.241130452e+00 3.08 -2.192229611e+00 3.10 -2.143297621e+00 3.12 -2.094438972e+00 3.14 -2.045748502e+00 3.16 -1.997310733e+00 3.18 -1.949203172e+00 3.20 -1.901493398e+00 3.22 -1.854243923e+00 3.24 -1.807499780e+00 3.26 -1.761724722e+00 3.28 -1.716667518e+00 3.30 -1.672224524e+00 3.32 -1.628427541e+00 3.34 -1.585305381e+00 3.36 -1.542886732e+00 3.38 -1.501188153e+00 3.40 -1.460244278e+00 3.42 -1.420265358e+00 3.44 -1.381033697e+00 3.46 -1.342566406e+00 3.48 -1.304879651e+00 3.50 -1.267973888e+00 3.52 -1.231839460e+00 3.54 -1.196475031e+00 3.56 -1.161827385e+00 3.58 -1.127849665e+00 3.60 -1.094511635e+00 3.62 -1.061872999e+00 3.64 -1.029999165e+00 3.66 -9.989240102e-01 3.68 -9.686415928e-01 3.70 -9.390831211e-01 3.72 -9.100053558e-01 3.74 -8.815298268e-01 3.76 -8.537879802e-01 3.78 -8.268822126e-01 3.80 -8.008873526e-01 3.82 -7.758552906e-01 3.84 -7.518105297e-01 3.86 -7.288261271e-01 3.88 -7.070378411e-01 3.90 -6.861191019e-01 3.92 -6.657903253e-01 3.94 -6.458426647e-01 3.96 -6.261246256e-01 3.98 -6.065343850e-01 4.00 -5.870318829e-01 4.02 -5.675411136e-01 4.04 -5.480039178e-01 4.06 -5.283919525e-01 4.08 -5.086997355e-01 4.10 -4.889389366e-01 4.12 -4.691112673e-01 4.14 -4.491852903e-01 4.16 -4.293046246e-01 4.18 -4.096070222e-01 4.20 -3.902040275e-01 4.22 -3.711826566e-01 4.24 -3.525956127e-01 4.26 -3.345107684e-01 4.28 -3.169854672e-01 4.30 -3.000606335e-01 4.32 -2.837636760e-01 4.34 -2.681109352e-01 4.36 -2.531097486e-01 4.38 -2.387601880e-01 4.40 -2.250565162e-01 4.42 -2.119884052e-01 4.44 -1.995419545e-01 4.46 -1.877005374e-01 4.48 -1.764455031e-01 4.50 -1.657567557e-01 4.52 -1.556132292e-01 4.54 -1.459932762e-01 4.56 -1.368749852e-01 4.58 -1.282364324e-01 4.60 -1.200558849e-01 4.62 -1.123119592e-01 4.64 -1.049837460e-01 4.66 -9.805090341e-02 4.68 -9.149372693e-02 4.70 -8.529319791e-02 4.72 -7.943101637e-02 4.74 -7.388962034e-02 4.76 -6.865219424e-02 4.78 -6.370266805e-02 4.80 -5.901776126e-02 4.82 -5.482582936e-02 4.84 -5.095302928e-02 4.86 -4.728765160e-02 4.88 -4.381891704e-02 4.90 -4.053656509e-02 4.92 -3.743083591e-02 4.94 -3.449245173e-02 4.96 -3.171259747e-02 4.98 -2.908290157e-02 5.00 -2.659541670e-02 5.02 -2.424260130e-02 5.04 -2.201730122e-02 5.06 -1.991273117e-02 5.08 -1.792245735e-02 5.10 -1.604038049e-02 5.12 -1.426071967e-02 5.14 -1.257799645e-02 5.16 -1.098701970e-02 5.18 -9.482871121e-03 5.20 -8.060891413e-03 5.22 -6.716667167e-03 5.24 -5.446018014e-03 5.26 -4.244961832e-03 5.28 -3.111234027e-03 5.30 -2.073493551e-03 5.32 -1.812543704e-03 5.34 -1.590956389e-03 5.36 -1.388623886e-03 5.38 -1.198956649e-03 5.40 -1.021179520e-03 5.42 -8.545636897e-04 5.44 -6.984239823e-04 5.46 -5.521163007e-04 5.48 -4.150352309e-04 5.50 -2.866117824e-04 5.52 -1.663112289e-04 5.54 -5.291024786e-05 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