# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1999--Liu-X-Y-Liu-C-L-Borucki-L-J--Al-Cu # implementation = 1999--Liu-X-Y--Al-Cu--LAMMPS--ipr1 # composition = Al2Cu # 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 nan 0.90 1.020096231e+02 0.92 9.517893613e+01 0.94 8.890247749e+01 0.96 8.298006308e+01 0.98 7.750579835e+01 1.00 7.224478645e+01 1.02 6.722840780e+01 1.04 6.249522783e+01 1.06 5.805063189e+01 1.08 5.397981621e+01 1.10 5.022894864e+01 1.12 4.668255444e+01 1.14 4.333558947e+01 1.16 4.033227630e+01 1.18 3.764630119e+01 1.20 3.517885966e+01 1.22 3.285597562e+01 1.24 3.074219039e+01 1.26 2.884273934e+01 1.28 2.712813544e+01 1.30 2.553564501e+01 1.32 2.401831705e+01 1.34 2.259984685e+01 1.36 2.130081433e+01 1.38 2.012226611e+01 1.40 1.906531207e+01 1.42 1.811142834e+01 1.44 1.720392457e+01 1.46 1.628150055e+01 1.48 1.538211942e+01 1.50 1.453270848e+01 1.52 1.372658315e+01 1.54 1.296191115e+01 1.56 1.224014155e+01 1.58 1.156085067e+01 1.60 1.092338880e+01 1.62 1.031691711e+01 1.64 9.718546746e+00 1.66 9.099168307e+00 1.68 8.475696172e+00 1.70 7.867792953e+00 1.72 7.272288059e+00 1.74 6.687421039e+00 1.76 6.112367513e+00 1.78 5.558004333e+00 1.80 5.026756172e+00 1.82 4.520326435e+00 1.84 4.039501735e+00 1.86 3.583265386e+00 1.88 3.148833902e+00 1.90 2.733667879e+00 1.92 2.333134743e+00 1.94 1.935677884e+00 1.96 1.528591305e+00 1.98 1.100845056e+00 2.00 6.703236718e-01 2.02 2.605174403e-01 2.04 -1.262367106e-01 2.06 -4.897429861e-01 2.08 -8.296593063e-01 2.10 -1.145494142e+00 2.12 -1.436789835e+00 2.14 -1.702976332e+00 2.16 -1.943703659e+00 2.18 -2.157870486e+00 2.20 -2.347043697e+00 2.22 -2.513462185e+00 2.24 -2.659404430e+00 2.26 -2.786961095e+00 2.28 -2.898184149e+00 2.30 -2.995050411e+00 2.32 -3.079412045e+00 2.34 -3.152919757e+00 2.36 -3.215977681e+00 2.38 -3.266314898e+00 2.40 -3.303929271e+00 2.42 -3.329483177e+00 2.44 -3.343208329e+00 2.46 -3.345580154e+00 2.48 -3.336720929e+00 2.50 -3.316933680e+00 2.52 -3.289211424e+00 2.54 -3.259696198e+00 2.56 -3.233996190e+00 2.58 -3.216390358e+00 2.60 -3.210039256e+00 2.62 -3.204988211e+00 2.64 -3.193440223e+00 2.66 -3.175728028e+00 2.68 -3.152748909e+00 2.70 -3.125499729e+00 2.72 -3.094928469e+00 2.74 -3.061821245e+00 2.76 -3.026766561e+00 2.78 -2.990330069e+00 2.80 -2.951746467e+00 2.82 -2.910255812e+00 2.84 -2.866130985e+00 2.86 -2.819719618e+00 2.88 -2.771511658e+00 2.90 -2.722076646e+00 2.92 -2.671659379e+00 2.94 -2.620136123e+00 2.96 -2.567841750e+00 2.98 -2.515097420e+00 3.00 -2.462153276e+00 3.02 -2.409167042e+00 3.04 -2.356911262e+00 3.06 -2.305923340e+00 3.08 -2.256224428e+00 3.10 -2.208005779e+00 3.12 -2.161353662e+00 3.14 -2.116234090e+00 3.16 -2.072624155e+00 3.18 -2.030525911e+00 3.20 -1.989821800e+00 3.22 -1.950383623e+00 3.24 -1.912127824e+00 3.26 -1.875059764e+00 3.28 -1.839578511e+00 3.30 -1.806398669e+00 3.32 -1.776317557e+00 3.34 -1.749245650e+00 3.36 -1.724178835e+00 3.38 -1.700374362e+00 3.40 -1.677668411e+00 3.42 -1.655332963e+00 3.44 -1.631304164e+00 3.46 -1.605410947e+00 3.48 -1.577735778e+00 3.50 -1.548593434e+00 3.52 -1.518514256e+00 3.54 -1.487952087e+00 3.56 -1.457288444e+00 3.58 -1.426840737e+00 3.60 -1.396873694e+00 3.62 -1.367593320e+00 3.64 -1.339148900e+00 3.66 -1.311632314e+00 3.68 -1.285079504e+00 3.70 -1.259472943e+00 3.72 -1.234744783e+00 3.74 -1.210804367e+00 3.76 -1.187607610e+00 3.78 -1.165096144e+00 3.80 -1.143181435e+00 3.82 -1.121801379e+00 3.84 -1.100871591e+00 3.86 -1.080266145e+00 3.88 -1.059853650e+00 3.90 -1.039502759e+00 3.92 -1.019084405e+00 3.94 -9.984091851e-01 3.96 -9.772938861e-01 3.98 -9.556940571e-01 4.00 -9.338503150e-01 4.02 -9.120546451e-01 4.04 -8.904150799e-01 4.06 -8.690852875e-01 4.08 -8.481218566e-01 4.10 -8.275289321e-01 4.12 -8.073123836e-01 4.14 -7.874722765e-01 4.16 -7.680587759e-01 4.18 -7.491411238e-01 4.20 -7.307364303e-01 4.22 -7.128525547e-01 4.24 -6.954895796e-01 4.26 -6.786367686e-01 4.28 -6.622662349e-01 4.30 -6.463498797e-01 4.32 -6.308612573e-01 4.34 -6.157832969e-01 4.36 -6.010941206e-01 4.38 -5.867658106e-01 4.40 -5.727362004e-01 4.42 -5.588768680e-01 4.44 -5.450443722e-01 4.46 -5.310844762e-01 4.48 -5.168262258e-01 4.50 -5.020719015e-01 4.52 -4.866161064e-01 4.54 -4.702464958e-01 4.56 -4.527463686e-01 4.58 -4.339316627e-01 4.60 -4.136367030e-01 4.62 -3.917963119e-01 4.64 -3.687727103e-01 4.66 -3.450427532e-01 4.68 -3.211175163e-01 4.70 -2.975252302e-01 4.72 -2.747935934e-01 4.74 -2.534349808e-01 4.76 -2.339376290e-01 4.78 -2.167648614e-01 4.80 -2.024399044e-01 4.82 -1.914054909e-01 4.84 -1.814495510e-01 4.86 -1.719649585e-01 4.88 -1.631676566e-01 4.90 -1.552686161e-01 4.92 -1.484803541e-01 4.94 -1.429923474e-01 4.96 -1.394177807e-01 4.98 -1.377650108e-01 5.00 -1.365282751e-01 5.02 -1.352921940e-01 5.04 -1.340483382e-01 5.06 -1.327857645e-01 5.08 -1.314817143e-01 5.10 -1.300960324e-01 5.12 -1.285856767e-01 5.14 -1.269052593e-01 5.16 -1.250059712e-01 5.18 -1.228340590e-01 5.20 -1.203286708e-01 5.22 -1.174188526e-01 5.24 -1.140194191e-01 5.26 -1.100253526e-01 5.28 -1.053043290e-01 5.30 -9.968680251e-02 5.32 -9.297076198e-02 5.34 -8.504813100e-02 5.36 -7.588035780e-02 5.38 -6.574638895e-02 5.40 -5.505493950e-02 5.42 -4.427029557e-02 5.44 -3.386728835e-02 5.46 -2.429069819e-02 5.48 -1.592587195e-02 5.50 -9.085764107e-03 5.52 -4.017136267e-03 5.54 -9.254953729e-04 5.56 -3.671037170e-06 5.58 -1.335926808e-06 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