# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CuMg2 # 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 2024-04-11 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 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 3.021780706e+02 1.16 2.781079686e+02 1.18 2.560439331e+02 1.20 2.358050694e+02 1.22 2.172269023e+02 1.24 2.001612958e+02 1.26 1.844756516e+02 1.28 1.700508408e+02 1.30 1.567786261e+02 1.32 1.445599966e+02 1.34 1.333048755e+02 1.36 1.229321864e+02 1.38 1.133692493e+02 1.40 1.045506000e+02 1.42 9.641622360e+01 1.44 8.891118781e+01 1.46 8.198508266e+01 1.48 7.559102219e+01 1.50 6.968551780e+01 1.52 6.422866393e+01 1.54 5.918420557e+01 1.56 5.451927830e+01 1.58 5.020398721e+01 1.60 4.621110894e+01 1.62 4.251594574e+01 1.64 3.909617682e+01 1.66 3.593158937e+01 1.68 3.300374643e+01 1.70 3.029567665e+01 1.72 2.779158210e+01 1.74 2.547658297e+01 1.76 2.333654587e+01 1.78 2.135805615e+01 1.80 1.952851395e+01 1.82 1.783626522e+01 1.84 1.627065875e+01 1.86 1.482201795e+01 1.88 1.348154254e+01 1.90 1.224119436e+01 1.92 1.109359542e+01 1.94 1.003195381e+01 1.96 9.050020715e+00 1.98 8.142065560e+00 2.00 7.302844827e+00 2.02 6.527549389e+00 2.04 5.811738972e+00 2.06 5.151278923e+00 2.08 4.542291032e+00 2.10 3.981127073e+00 2.12 3.464358811e+00 2.14 2.988779068e+00 2.16 2.551404237e+00 2.18 2.149467074e+00 2.20 1.780400908e+00 2.22 1.441811558e+00 2.24 1.131447843e+00 2.26 8.471745876e-01 2.28 5.869498668e-01 2.30 3.488184552e-01 2.32 1.306806226e-01 2.34 -6.921443099e-02 2.36 -2.521719150e-01 2.38 -4.193985818e-01 2.40 -5.719800566e-01 2.42 -7.108823738e-01 2.44 -8.369687741e-01 2.46 -9.510244377e-01 2.48 -1.053789908e+00 2.50 -1.145988313e+00 2.52 -1.228299914e+00 2.54 -1.301361334e+00 2.56 -1.365769607e+00 2.58 -1.422087097e+00 2.60 -1.470848223e+00 2.62 -1.512567908e+00 2.64 -1.547752585e+00 2.66 -1.576908073e+00 2.68 -1.600547766e+00 2.70 -1.619193987e+00 2.72 -1.633372539e+00 2.74 -1.643599956e+00 2.76 -1.650365919e+00 2.78 -1.654115033e+00 2.80 -1.655278497e+00 2.82 -1.654172263e+00 2.84 -1.651007507e+00 2.86 -1.645957017e+00 2.88 -1.639164845e+00 2.90 -1.630756170e+00 2.92 -1.620845394e+00 2.94 -1.609541480e+00 2.96 -1.596926175e+00 2.98 -1.583016071e+00 3.00 -1.567835650e+00 3.02 -1.551427412e+00 3.04 -1.533847267e+00 3.06 -1.515162507e+00 3.08 -1.495445959e+00 3.10 -1.474775365e+00 3.12 -1.453230490e+00 3.14 -1.430892659e+00 3.16 -1.407841351e+00 3.18 -1.384154417e+00 3.20 -1.359906760e+00 3.22 -1.335169780e+00 3.24 -1.310011259e+00 3.26 -1.284495662e+00 3.28 -1.258684661e+00 3.30 -1.232637605e+00 3.32 -1.206411757e+00 3.34 -1.180062206e+00 3.36 -1.153641589e+00 3.38 -1.127199814e+00 3.40 -1.100783784e+00 3.42 -1.074438123e+00 3.44 -1.048204377e+00 3.46 -1.022121963e+00 3.48 -9.962281108e-01 3.50 -9.705578520e-01 3.52 -9.451438865e-01 3.54 -9.200163699e-01 3.56 -8.952026867e-01 3.58 -8.707272627e-01 3.60 -8.466114535e-01 3.62 -8.228735283e-01 3.64 -7.995287549e-01 3.66 -7.765895852e-01 3.68 -7.540659332e-01 3.70 -7.319655363e-01 3.72 -7.102943853e-01 3.74 -6.890572014e-01 3.76 -6.682579255e-01 3.78 -6.479001701e-01 3.80 -6.279875708e-01 3.82 -6.085239629e-01 3.84 -5.895133215e-01 3.86 -5.709594271e-01 3.88 -5.528652767e-01 3.90 -5.352323155e-01 3.92 -5.180593241e-01 3.94 -5.013429702e-01 3.96 -4.850753442e-01 3.98 -4.692452183e-01 4.00 -4.538378318e-01 4.02 -4.388353118e-01 4.04 -4.242172559e-01 4.06 -4.099613787e-01 4.08 -3.960441472e-01 4.10 -3.824410019e-01 4.12 -3.691283828e-01 4.14 -3.560818055e-01 4.16 -3.432779978e-01 4.18 -3.306949096e-01 4.20 -3.183122234e-01 4.22 -3.061119361e-01 4.24 -2.940790238e-01 4.26 -2.822021797e-01 4.28 -2.704745930e-01 4.30 -2.588947144e-01 4.32 -2.474669241e-01 4.34 -2.362020015e-01 4.36 -2.251172867e-01 4.38 -2.142364290e-01 4.40 -2.035886503e-01 4.42 -1.932074991e-01 4.44 -1.831291418e-01 4.46 -1.733903113e-01 4.48 -1.640260955e-01 4.50 -1.550677900e-01 4.52 -1.465410359e-01 4.54 -1.384644304e-01 4.56 -1.308487236e-01 4.58 -1.236966360e-01 4.60 -1.170032452e-01 4.62 -1.107568293e-01 4.64 -1.049400212e-01 4.66 -9.953111815e-02 4.68 -9.450541156e-02 4.70 -8.983642685e-02 4.72 -8.549698393e-02 4.74 -8.146009083e-02 4.76 -7.769961782e-02 4.78 -7.419077578e-02 4.80 -7.090988039e-02 4.82 -6.783679121e-02 4.84 -6.495140033e-02 4.86 -6.223611120e-02 4.88 -5.967509746e-02 4.90 -5.725402529e-02 4.92 -5.495987514e-02 4.94 -5.278152985e-02 4.96 -5.070907854e-02 4.98 -4.873365685e-02 5.00 -4.684732811e-02 5.02 -4.504297247e-02 5.04 -4.331418615e-02 5.06 -4.165519160e-02 5.08 -4.006075917e-02 5.10 -3.852614016e-02 5.12 -3.704701106e-02 5.14 -3.561942854e-02 5.16 -3.423979492e-02 5.18 -3.290483342e-02 5.20 -3.161157280e-02 5.22 -3.035734068e-02 5.24 -2.913976448e-02 5.26 -2.795677876e-02 5.28 -2.680663726e-02 5.30 -2.568792719e-02 5.32 -2.459958299e-02 5.34 -2.354089591e-02 5.36 -2.251151590e-02 5.38 -2.151144148e-02 5.40 -2.054099467e-02 5.42 -1.960077853e-02 5.44 -1.869161666e-02 5.46 -1.781447623e-02 5.48 -1.697037860e-02 5.50 -1.616030341e-02 5.52 -1.538509396e-02 5.54 -1.464537174e-02 5.56 -1.394146754e-02 5.58 -1.327337458e-02 5.60 -1.264072656e-02 5.62 -1.204280050e-02 5.64 -1.147854167e-02 5.66 -1.094660604e-02 5.68 -1.044541420e-02 5.70 -9.973211100e-03 5.72 -9.528125993e-03 5.74 -9.108228286e-03 5.76 -8.711560533e-03 5.78 -8.336205605e-03 5.80 -7.980319558e-03 5.82 -7.642142933e-03 5.84 -7.320016246e-03 5.86 -7.012389046e-03 5.88 -6.717823932e-03 5.90 -6.434996867e-03 5.92 -6.162695027e-03 5.94 -5.899813250e-03 5.96 -5.645349932e-03 5.98 -5.398403072e-03 6.00 -5.158166946e-03