# 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 = CuPb2 # 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 3.524559956e+02 1.16 3.273662539e+02 1.18 3.041814145e+02 1.20 2.827380121e+02 1.22 2.628866256e+02 1.24 2.444909760e+02 1.26 2.274290344e+02 1.28 2.115935393e+02 1.30 1.968901275e+02 1.32 1.832337204e+02 1.34 1.705447614e+02 1.36 1.587471943e+02 1.38 1.477688247e+02 1.40 1.375430523e+02 1.42 1.280102692e+02 1.44 1.191178923e+02 1.46 1.108193078e+02 1.48 1.030725345e+02 1.50 9.583906554e+01 1.52 8.908363257e+01 1.54 8.278908705e+01 1.56 7.692814108e+01 1.58 7.146784150e+01 1.60 6.637790601e+01 1.62 6.163091618e+01 1.64 5.720231945e+01 1.66 5.307022129e+01 1.68 4.921501704e+01 1.70 4.561895790e+01 1.72 4.226574021e+01 1.74 3.914014194e+01 1.76 3.622772881e+01 1.78 3.351462228e+01 1.80 3.098735947e+01 1.82 2.863292117e+01 1.84 2.643889098e+01 1.86 2.439363967e+01 1.88 2.248644174e+01 1.90 2.070747339e+01 1.92 1.904772863e+01 1.94 1.749894830e+01 1.96 1.605354666e+01 1.98 1.470456035e+01 2.00 1.344558918e+01 2.02 1.227073134e+01 2.04 1.117452066e+01 2.06 1.015187993e+01 2.08 9.198094288e+00 2.10 8.308787744e+00 2.12 7.479906705e+00 2.14 6.707688498e+00 2.16 5.988628979e+00 2.18 5.319451844e+00 2.20 4.697082735e+00 2.22 4.118633489e+00 2.24 3.581390281e+00 2.26 3.082801370e+00 2.28 2.620459678e+00 2.30 2.192079764e+00 2.32 1.795468345e+00 2.34 1.428512684e+00 2.36 1.089169081e+00 2.38 7.754731827e-01 2.40 4.855594247e-01 2.42 2.176828848e-01 2.44 -2.976181140e-02 2.46 -2.582311897e-01 2.48 -4.690326726e-01 2.50 -6.633332794e-01 2.52 -8.421749602e-01 2.54 -1.006493753e+00 2.56 -1.157164756e+00 2.58 -1.295212052e+00 2.60 -1.421235159e+00 2.62 -1.535723828e+00 2.64 -1.639189951e+00 2.66 -1.732167059e+00 2.68 -1.815215835e+00 2.70 -1.888921235e+00 2.72 -1.953885663e+00 2.74 -2.010718835e+00 2.76 -2.060041569e+00 2.78 -2.102457231e+00 2.80 -2.138527060e+00 2.82 -2.168758111e+00 2.84 -2.193606440e+00 2.86 -2.213480138e+00 2.88 -2.228746039e+00 2.90 -2.239737101e+00 2.92 -2.246828387e+00 2.94 -2.250310111e+00 2.96 -2.250359049e+00 2.98 -2.247160582e+00 3.00 -2.240907899e+00 3.02 -2.231800791e+00 3.04 -2.220042723e+00 3.06 -2.205844296e+00 3.08 -2.189408577e+00 3.10 -2.170916869e+00 3.12 -2.150539391e+00 3.14 -2.128448707e+00 3.16 -2.104810137e+00 3.18 -2.079782773e+00 3.20 -2.053515292e+00 3.22 -2.026143223e+00 3.24 -1.997786880e+00 3.26 -1.968550404e+00 3.28 -1.938522240e+00 3.30 -1.907777098e+00 3.32 -1.876379062e+00 3.34 -1.844385260e+00 3.36 -1.811849440e+00 3.38 -1.778824894e+00 3.40 -1.745365850e+00 3.42 -1.711530655e+00 3.44 -1.677378068e+00 3.46 -1.642969075e+00 3.48 -1.608365066e+00 3.50 -1.573626600e+00 3.52 -1.538812343e+00 3.54 -1.503978339e+00 3.56 -1.469177736e+00 3.58 -1.434460983e+00 3.60 -1.399876467e+00 3.62 -1.365471473e+00 3.64 -1.331293288e+00 3.66 -1.297390229e+00 3.68 -1.263812351e+00 3.70 -1.230611590e+00 3.72 -1.197841194e+00 3.74 -1.165554413e+00 3.76 -1.133802571e+00 3.78 -1.102632798e+00 3.80 -1.072085794e+00 3.82 -1.042193994e+00 3.84 -1.012980430e+00 3.86 -9.844584028e-01 3.88 -9.566319358e-01 3.90 -9.294968277e-01 3.92 -9.030409345e-01 3.94 -8.772504493e-01 3.96 -8.521038629e-01 3.98 -8.275784546e-01 4.00 -8.036498545e-01 4.02 -7.802927290e-01 4.04 -7.574812313e-01 4.06 -7.351892734e-01 4.08 -7.133906835e-01 4.10 -6.920580188e-01 4.12 -6.711680635e-01 4.14 -6.506934879e-01 4.16 -6.306090411e-01 4.18 -6.108903157e-01 4.20 -5.915142219e-01 4.22 -5.724596026e-01 4.24 -5.537079814e-01 4.26 -5.352444217e-01 4.28 -5.170584496e-01 4.30 -4.991449727e-01 4.32 -4.815050972e-01 4.34 -4.641467307e-01 4.36 -4.470848482e-01 4.38 -4.303413054e-01 4.40 -4.139441219e-01 4.42 -3.979262042e-01 4.44 -3.823235605e-01 4.46 -3.671731304e-01 4.48 -3.525104289e-01 4.50 -3.383672396e-01 4.52 -3.247695974e-01 4.54 -3.117362600e-01 4.56 -2.992777949e-01 4.58 -2.873963191e-01 4.60 -2.760858447e-01 4.62 -2.653331123e-01 4.64 -2.551187620e-01 4.66 -2.454186785e-01 4.68 -2.362053664e-01 4.70 -2.274492411e-01 4.72 -2.191197591e-01 4.74 -2.111863486e-01 4.76 -2.036191284e-01 4.78 -1.963894267e-01 4.80 -1.894680537e-01 4.82 -1.828341170e-01 4.84 -1.764616353e-01 4.86 -1.703289371e-01 4.88 -1.644161468e-01 4.90 -1.587051038e-01 4.92 -1.531792654e-01 4.94 -1.478236131e-01 4.96 -1.426245652e-01 4.98 -1.375699062e-01 5.00 -1.326487357e-01 5.02 -1.278514386e-01 5.04 -1.231696760e-01 5.06 -1.185963961e-01 5.08 -1.141258548e-01 5.10 -1.097536430e-01 5.12 -1.054767128e-01 5.14 -1.012933883e-01 5.16 -9.720335312e-02 5.18 -9.320760125e-02 5.20 -8.930834250e-02 5.22 -8.550885555e-02 5.24 -8.181328628e-02 5.26 -7.822630563e-02 5.28 -7.475225740e-02 5.30 -7.139635285e-02 5.32 -6.816365940e-02 5.34 -6.505853902e-02 5.36 -6.208437319e-02 5.38 -5.924334803e-02 5.40 -5.653631321e-02 5.42 -5.396272043e-02 5.44 -5.152063979e-02 5.46 -4.920684547e-02 5.48 -4.701695679e-02 5.50 -4.494561833e-02 5.52 -4.298670195e-02 5.54 -4.113351477e-02 5.56 -3.937900012e-02 5.58 -3.771592165e-02 5.60 -3.613702411e-02 5.62 -3.463516800e-02 5.64 -3.320343743e-02 5.66 -3.183522288e-02 5.68 -3.052428173e-02 5.70 -2.926478002e-02 5.72 -2.805131954e-02 5.74 -2.687895363e-02 5.76 -2.574319539e-02 5.78 -2.464002080e-02 5.80 -2.356586916e-02 5.82 -2.251764232e-02 5.84 -2.149270362e-02 5.86 -2.048887682e-02 5.88 -1.950444468e-02 5.90 -1.853814642e-02 5.92 -1.758917268e-02 5.94 -1.665715656e-02 5.96 -1.574215888e-02 5.98 -1.484464570e-02 6.00 -1.396545713e-02