# 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 = AgNi2 # 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 3.782638120e+02 0.90 3.462897918e+02 0.92 3.173339100e+02 0.94 2.910547938e+02 0.96 2.671625036e+02 0.98 2.453973621e+02 1.00 2.255382261e+02 1.02 2.073922905e+02 1.04 1.907905960e+02 1.06 1.755869770e+02 1.08 1.616484703e+02 1.10 1.488526199e+02 1.12 1.370944672e+02 1.14 1.262810617e+02 1.16 1.163322905e+02 1.18 1.071692466e+02 1.20 9.872924001e+01 1.22 9.095028022e+01 1.24 8.377853520e+01 1.26 7.716195026e+01 1.28 7.105331377e+01 1.30 6.541513802e+01 1.32 6.020968011e+01 1.34 5.540142800e+01 1.36 5.096186934e+01 1.38 4.686272839e+01 1.40 4.307465486e+01 1.42 3.957444908e+01 1.44 3.634314948e+01 1.46 3.336121900e+01 1.48 3.060886816e+01 1.50 2.806938298e+01 1.52 2.572793540e+01 1.54 2.356968494e+01 1.56 2.158139973e+01 1.58 1.975061297e+01 1.60 1.806579198e+01 1.62 1.651470688e+01 1.64 1.508889973e+01 1.66 1.377953723e+01 1.68 1.257822103e+01 1.70 1.145444707e+01 1.72 1.038472321e+01 1.74 9.418417314e+00 1.76 8.497872132e+00 1.78 7.623050319e+00 1.80 6.793612744e+00 1.82 6.008956581e+00 1.84 5.268252847e+00 1.86 4.570256910e+00 1.88 3.911819919e+00 1.90 3.294296307e+00 1.92 2.715588983e+00 1.94 2.174535469e+00 1.96 1.669953295e+00 1.98 1.200319507e+00 2.00 7.656454463e-01 2.02 3.623948888e-01 2.04 -1.094688082e-02 2.06 -3.558725874e-01 2.08 -6.738768832e-01 2.10 -9.667488824e-01 2.12 -1.235423053e+00 2.14 -1.481255696e+00 2.16 -1.705550763e+00 2.18 -1.909562140e+00 2.20 -2.094493121e+00 2.22 -2.261186429e+00 2.24 -2.410629844e+00 2.26 -2.544374330e+00 2.28 -2.663408321e+00 2.30 -2.768672806e+00 2.32 -2.861062421e+00 2.34 -2.941426690e+00 2.36 -3.010571333e+00 2.38 -3.069259711e+00 2.40 -3.118217957e+00 2.42 -3.158647208e+00 2.44 -3.190633250e+00 2.46 -3.214782134e+00 2.48 -3.231674450e+00 2.50 -3.241814370e+00 2.52 -3.246243534e+00 2.54 -3.245173831e+00 2.56 -3.238798272e+00 2.58 -3.227083402e+00 2.60 -3.209903612e+00 2.62 -3.188736533e+00 2.64 -3.163924899e+00 2.66 -3.135794348e+00 2.68 -3.104650240e+00 2.70 -3.070778728e+00 2.72 -3.034447755e+00 2.74 -2.995908013e+00 2.76 -2.955393903e+00 2.78 -2.913124446e+00 2.80 -2.869304037e+00 2.82 -2.824123397e+00 2.84 -2.777760217e+00 2.86 -2.730379996e+00 2.88 -2.682136172e+00 2.90 -2.633186354e+00 2.92 -2.583727515e+00 2.94 -2.533749433e+00 2.96 -2.484421839e+00 2.98 -2.434801508e+00 3.00 -2.384991990e+00 3.02 -2.335087148e+00 3.04 -2.285173560e+00 3.06 -2.235330994e+00 3.08 -2.185632644e+00 3.10 -2.136145597e+00 3.12 -2.086931609e+00 3.14 -2.038039563e+00 3.16 -1.989538010e+00 3.18 -1.941548355e+00 3.20 -1.893824489e+00 3.22 -1.846197492e+00 3.24 -1.799000292e+00 3.26 -1.752442521e+00 3.28 -1.706509948e+00 3.30 -1.661211140e+00 3.32 -1.616571141e+00 3.34 -1.572612069e+00 3.36 -1.529343072e+00 3.38 -1.486780712e+00 3.40 -1.444947166e+00 3.42 -1.403935511e+00 3.44 -1.363652855e+00 3.46 -1.324109829e+00 3.48 -1.285298926e+00 3.50 -1.247228717e+00 3.52 -1.209908634e+00 3.54 -1.173343011e+00 3.56 -1.137496623e+00 3.58 -1.102374751e+00 3.60 -1.067982835e+00 3.62 -1.034332382e+00 3.64 -1.001436384e+00 3.66 -9.690889494e-01 3.68 -9.373515380e-01 3.70 -9.062582313e-01 3.72 -8.758557668e-01 3.74 -8.463306076e-01 3.76 -8.178195394e-01 3.78 -7.904454817e-01 3.80 -7.644588820e-01 3.82 -7.396055067e-01 3.84 -7.156943136e-01 3.86 -6.924550090e-01 3.88 -6.694937078e-01 3.90 -6.465374782e-01 3.92 -6.234092130e-01 3.94 -6.000063061e-01 3.96 -5.762832243e-01 3.98 -5.522373328e-01 4.00 -5.278962783e-01 4.02 -5.032109159e-01 4.04 -4.783050532e-01 4.06 -4.533687494e-01 4.08 -4.285490417e-01 4.10 -4.040763466e-01 4.12 -3.801360299e-01 4.14 -3.568762110e-01 4.16 -3.346744331e-01 4.18 -3.152201798e-01 4.20 -2.965073886e-01 4.22 -2.785993272e-01 4.24 -2.615037638e-01 4.26 -2.452192043e-01 4.28 -2.297361550e-01 4.30 -2.150389242e-01 4.32 -2.011071112e-01 4.34 -1.879168352e-01 4.36 -1.754417296e-01 4.38 -1.636537558e-01 4.40 -1.525238582e-01 4.42 -1.420224941e-01 4.44 -1.321200464e-01 4.46 -1.227871533e-01 4.48 -1.139949658e-01 4.50 -1.057153402e-01 4.52 -9.792097973e-02 4.54 -9.058553822e-02 4.56 -8.368369464e-02 4.58 -7.719119316e-02 4.60 -7.108486555e-02 4.62 -6.534263793e-02 4.64 -5.994352425e-02 4.66 -5.486760698e-02 4.68 -5.009601109e-02 4.70 -4.561087534e-02 4.72 -4.139531446e-02 4.74 -3.743338140e-02 4.76 -3.371002784e-02 4.78 -3.021620430e-02 4.80 -2.694309981e-02 4.82 -2.510845361e-02 4.84 -2.340343316e-02 4.86 -2.180128579e-02 4.88 -2.029601888e-02 4.90 -1.888189065e-02 4.92 -1.755349209e-02 4.94 -1.630572859e-02 4.96 -1.513380223e-02 4.98 -1.403319500e-02 5.00 -1.299965299e-02 5.02 -1.202917134e-02 5.04 -1.111798007e-02 5.06 -1.026253049e-02 5.08 -9.459482362e-03 5.10 -8.705691977e-03 5.12 -7.998200796e-03 5.14 -7.334224692e-03 5.16 -6.711143771e-03 5.18 -6.126492827e-03 5.20 -5.577952371e-03 5.22 -5.063340203e-03 5.24 -4.580603336e-03 5.26 -4.127810455e-03 5.28 -3.703144822e-03 5.30 -3.304897632e-03 5.32 -2.931461709e-03 5.34 -2.581325520e-03 5.36 -2.253067591e-03 5.38 -1.945351241e-03 5.40 -1.656919661e-03 5.42 -1.386591209e-03 5.44 -1.133254979e-03 5.46 -8.958666639e-04 5.48 -6.734446566e-04 5.50 -4.650663878e-04 5.52 -2.698648213e-04 5.54 -8.585550322e-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