# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Xu-Y-Wang-G-Qian-P-Su-Y--Ni-Rh # implementation = 2022--Xu-Y--Ni-Rh--LAMMPS--ipr1 # composition = NiRh2 # 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 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 6.065702544e+02 1.04 5.626943289e+02 1.06 5.220862502e+02 1.08 4.843722239e+02 1.10 4.493435138e+02 1.12 4.168623773e+02 1.14 3.867934296e+02 1.16 3.589950517e+02 1.18 3.333090334e+02 1.20 3.095594097e+02 1.22 2.875643072e+02 1.24 2.671508020e+02 1.26 2.481820409e+02 1.28 2.305315483e+02 1.30 2.140690840e+02 1.32 1.986604142e+02 1.34 1.842027328e+02 1.36 1.706683504e+02 1.38 1.580388827e+02 1.40 1.462947107e+02 1.42 1.354127037e+02 1.44 1.253638307e+02 1.46 1.161124529e+02 1.48 1.076187136e+02 1.50 9.984223852e+01 1.52 9.274444863e+01 1.54 8.628960145e+01 1.56 8.044496714e+01 1.58 7.078242224e+01 1.60 6.170012883e+01 1.62 5.347547630e+01 1.64 4.609947903e+01 1.66 3.937803167e+01 1.68 3.338856585e+01 1.70 2.814138686e+01 1.72 2.357660383e+01 1.74 1.963134341e+01 1.76 1.624200348e+01 1.78 1.334565638e+01 1.80 1.088072582e+01 1.82 8.787527559e+00 1.84 7.009070992e+00 1.86 5.491376990e+00 1.88 4.186367956e+00 1.90 3.063869026e+00 1.92 2.099515982e+00 1.94 1.269361933e+00 1.96 5.498579983e-01 1.98 -8.221118905e-02 2.00 -6.502468966e-01 2.02 -1.174830562e+00 2.04 -1.660935200e+00 2.06 -2.108292920e+00 2.08 -2.516175366e+00 2.10 -2.883955809e+00 2.12 -3.211635527e+00 2.14 -3.500094117e+00 2.16 -3.751144004e+00 2.18 -3.967410259e+00 2.20 -4.152132964e+00 2.22 -4.308902362e+00 2.24 -4.441289571e+00 2.26 -4.552441333e+00 2.28 -4.644743622e+00 2.30 -4.720054251e+00 2.32 -4.779906576e+00 2.34 -4.825581152e+00 2.36 -4.858202320e+00 2.38 -4.878836457e+00 2.40 -4.888568747e+00 2.42 -4.888546922e+00 2.44 -4.879985695e+00 2.46 -4.864036894e+00 2.48 -4.841634649e+00 2.50 -4.813498820e+00 2.52 -4.780164663e+00 2.54 -4.742025306e+00 2.56 -4.699384458e+00 2.58 -4.652506742e+00 2.60 -4.601658894e+00 2.62 -4.547137966e+00 2.64 -4.489288333e+00 2.66 -4.428547894e+00 2.68 -4.365478080e+00 2.70 -4.300616010e+00 2.72 -4.234370183e+00 2.74 -4.167000560e+00 2.76 -4.098679977e+00 2.78 -4.029526196e+00 2.80 -3.959609109e+00 2.82 -3.888969444e+00 2.84 -3.817643606e+00 2.86 -3.745686611e+00 2.88 -3.673187447e+00 2.90 -3.600273686e+00 2.92 -3.527104306e+00 2.94 -3.453862724e+00 2.96 -3.380757448e+00 2.98 -3.308013054e+00 3.00 -3.235849642e+00 3.02 -3.164456452e+00 3.04 -3.093985939e+00 3.06 -3.024557562e+00 3.08 -2.956267233e+00 3.10 -2.889208549e+00 3.12 -2.823500364e+00 3.14 -2.759294180e+00 3.16 -2.696768231e+00 3.18 -2.636111049e+00 3.20 -2.577497268e+00 3.22 -2.521059469e+00 3.24 -2.466859320e+00 3.26 -2.414859031e+00 3.28 -2.364911008e+00 3.30 -2.316809245e+00 3.32 -2.270324189e+00 3.34 -2.225217475e+00 3.36 -2.181254786e+00 3.38 -2.138218474e+00 3.40 -2.095919361e+00 3.42 -2.054206572e+00 3.44 -2.012974924e+00 3.46 -1.972160382e+00 3.48 -1.931728031e+00 3.50 -1.891670176e+00 3.52 -1.852003007e+00 3.54 -1.812753908e+00 3.56 -1.773952894e+00 3.58 -1.735628124e+00 3.60 -1.697801930e+00 3.62 -1.660487300e+00 3.64 -1.623685258e+00 3.66 -1.587383084e+00 3.68 -1.551554619e+00 3.70 -1.516173264e+00 3.72 -1.481226686e+00 3.74 -1.446720013e+00 3.76 -1.412676727e+00 3.78 -1.379137918e+00 3.80 -1.346159775e+00 3.82 -1.313809178e+00 3.84 -1.282158209e+00 3.86 -1.251280489e+00 3.88 -1.221248070e+00 3.90 -1.192127077e+00 3.92 -1.163972584e+00 3.94 -1.136822095e+00 3.96 -1.110693089e+00 3.98 -1.085583207e+00 4.00 -1.061471663e+00 4.02 -1.038321606e+00 4.04 -1.016083043e+00 4.06 -9.946961125e-01 4.08 -9.740943658e-01 4.10 -9.542080442e-01 4.12 -9.349672320e-01 4.14 -9.163049180e-01 4.16 -8.981600111e-01 4.18 -8.804803716e-01 4.20 -8.632258916e-01 4.22 -8.463688188e-01 4.24 -8.298852608e-01 4.26 -8.137515299e-01 4.28 -7.979445429e-01 4.30 -7.824422966e-01 4.32 -7.672244412e-01 4.34 -7.522708024e-01 4.36 -7.375594485e-01 4.38 -7.230711938e-01 4.40 -7.087906206e-01 4.42 -6.947059617e-01 4.44 -6.808089111e-01 4.46 -6.670943851e-01 4.48 -6.535601813e-01 4.50 -6.402066307e-01 4.52 -6.270361985e-01 4.54 -6.140530495e-01 4.56 -6.012626188e-01 4.58 -5.886711696e-01 4.60 -5.762853305e-01 4.62 -5.641116563e-01 4.64 -5.521561789e-01 4.66 -5.404238734e-01 4.68 -5.289181444e-01 4.70 -5.176402812e-01 4.72 -5.065888621e-01 4.74 -4.957591729e-01 4.76 -4.851449705e-01 4.78 -4.747391269e-01 4.80 -4.645339589e-01 4.82 -4.545210080e-01 4.84 -4.446910513e-01 4.86 -4.350339757e-01 4.88 -4.255387315e-01 4.90 -4.161933675e-01 4.92 -4.069848643e-01 4.94 -3.978992081e-01 4.96 -3.889214104e-01 4.98 -3.800353721e-01 5.00 -3.712241920e-01 5.02 -3.624699581e-01 5.04 -3.537541322e-01 5.06 -3.450575817e-01 5.08 -3.363608075e-01 5.10 -3.276444034e-01 5.12 -3.188891102e-01 5.14 -3.100766886e-01 5.16 -3.011899140e-01 5.18 -2.922137615e-01 5.20 -2.831353198e-01 5.22 -2.739452192e-01 5.24 -2.646381975e-01 5.26 -2.552130721e-01 5.28 -2.456773852e-01 5.30 -2.360442669e-01 5.32 -2.263309414e-01 5.34 -2.165596409e-01 5.36 -2.067559940e-01 5.38 -1.969489447e-01 5.40 -1.871702689e-01 5.42 -1.774538447e-01 5.44 -1.678349008e-01 5.46 -1.583492378e-01 5.48 -1.490324182e-01 5.50 -1.399190126e-01 5.52 -1.310418729e-01 5.54 -1.224314966e-01 5.56 -1.141154668e-01 5.58 -1.061180000e-01 5.60 -9.845958335e-02 5.62 -9.115672320e-02 5.64 -8.422182065e-02 5.66 -7.766350426e-02 5.68 -7.148538755e-02 5.70 -6.568693323e-02 5.72 -6.026394901e-02 5.74 -5.520882690e-02 5.76 -5.050631895e-02 5.78 -4.613377400e-02 5.80 -4.208516372e-02 5.82 -3.834972712e-02 5.84 -3.491216069e-02 5.86 -3.175429546e-02 5.88 -2.885652620e-02 5.90 -2.619902550e-02 5.92 -2.376275391e-02 5.94 -2.153026508e-02 5.96 -1.948585448e-02 5.98 -1.761462715e-02 6.00 -1.590237570e-02