# 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 = Au2Ni # 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 3.184721252e+02 1.16 2.933711491e+02 1.18 2.702967135e+02 1.20 2.490727572e+02 1.22 2.295378556e+02 1.24 2.115414719e+02 1.26 1.949452560e+02 1.28 1.796256579e+02 1.30 1.654745323e+02 1.32 1.523972530e+02 1.34 1.403091985e+02 1.36 1.291323010e+02 1.38 1.187934531e+02 1.40 1.092246219e+02 1.42 1.003633253e+02 1.44 9.215278243e+01 1.46 8.454165165e+01 1.48 7.748351377e+01 1.50 7.093637114e+01 1.52 6.486208553e+01 1.54 5.922551192e+01 1.56 5.399417305e+01 1.58 4.916571035e+01 1.60 4.472226735e+01 1.62 4.063100838e+01 1.64 3.686215579e+01 1.66 3.338891145e+01 1.68 3.018719100e+01 1.70 2.723538574e+01 1.72 2.451419594e+01 1.74 2.200645433e+01 1.76 1.969684866e+01 1.78 1.757152276e+01 1.80 1.561762796e+01 1.82 1.382296764e+01 1.84 1.217585263e+01 1.86 1.066515513e+01 1.88 9.280434252e+00 1.90 8.012006733e+00 1.92 6.850917001e+00 1.94 5.788835620e+00 1.96 4.817949356e+00 1.98 3.930900872e+00 2.00 3.120799508e+00 2.02 2.381277089e+00 2.04 1.706537712e+00 2.06 1.091363558e+00 2.08 5.310723840e-01 2.10 2.144701798e-02 2.12 -4.413392168e-01 2.14 -8.607869615e-01 2.16 -1.240121018e+00 2.18 -1.582326957e+00 2.20 -1.890175967e+00 2.22 -2.166240588e+00 2.24 -2.412905522e+00 2.26 -2.632378706e+00 2.28 -2.826706861e+00 2.30 -2.997796741e+00 2.32 -3.147439197e+00 2.34 -3.277329745e+00 2.36 -3.389078995e+00 2.38 -3.484210331e+00 2.40 -3.564149097e+00 2.42 -3.630212538e+00 2.44 -3.683762600e+00 2.46 -3.725947239e+00 2.48 -3.757488850e+00 2.50 -3.779127872e+00 2.52 -3.791620478e+00 2.54 -3.795728842e+00 2.56 -3.792209687e+00 2.58 -3.781766877e+00 2.60 -3.764881711e+00 2.62 -3.741976920e+00 2.64 -3.713489143e+00 2.66 -3.679857318e+00 2.68 -3.641515073e+00 2.70 -3.598887737e+00 2.72 -3.552392477e+00 2.74 -3.502438531e+00 2.76 -3.449424510e+00 2.78 -3.393731578e+00 2.80 -3.335714020e+00 2.82 -3.275690407e+00 2.84 -3.213938652e+00 2.86 -3.150696549e+00 2.88 -3.086167502e+00 2.90 -3.020529831e+00 2.92 -2.953947766e+00 2.94 -2.886582572e+00 2.96 -2.818602695e+00 2.98 -2.750191964e+00 3.00 -2.681554797e+00 3.02 -2.612917254e+00 3.04 -2.544523013e+00 3.06 -2.476624113e+00 3.08 -2.409467560e+00 3.10 -2.343280249e+00 3.12 -2.278255275e+00 3.14 -2.214542510e+00 3.16 -2.152245008e+00 3.18 -2.091421213e+00 3.20 -2.032091523e+00 3.22 -1.974247186e+00 3.24 -1.917859531e+00 3.26 -1.862888145e+00 3.28 -1.809287294e+00 3.30 -1.757010428e+00 3.32 -1.706013005e+00 3.34 -1.656253984e+00 3.36 -1.607696374e+00 3.38 -1.560307166e+00 3.40 -1.514056891e+00 3.42 -1.468919000e+00 3.44 -1.424869190e+00 3.46 -1.381884791e+00 3.48 -1.339944270e+00 3.50 -1.299026905e+00 3.52 -1.259112629e+00 3.54 -1.220182037e+00 3.56 -1.182216494e+00 3.58 -1.145198291e+00 3.60 -1.109110772e+00 3.62 -1.073938375e+00 3.64 -1.039666563e+00 3.66 -1.006281618e+00 3.68 -9.737703318e-01 3.70 -9.421196329e-01 3.72 -9.113161812e-01 3.74 -8.813459918e-01 3.76 -8.521941142e-01 3.78 -8.238443929e-01 3.80 -7.962793170e-01 3.82 -7.694799544e-01 3.84 -7.434259580e-01 3.86 -7.180956262e-01 3.88 -6.934659995e-01 3.90 -6.695129752e-01 3.92 -6.462114283e-01 3.94 -6.235353368e-01 3.96 -6.014578987e-01 3.98 -5.799516659e-01 4.00 -5.589886913e-01 4.02 -5.385407142e-01 4.04 -5.185793986e-01 4.06 -4.990766448e-01 4.08 -4.800049889e-01 4.10 -4.613380992e-01 4.12 -4.430513786e-01 4.14 -4.251226424e-01 4.16 -4.075328695e-01 4.18 -3.902669657e-01 4.20 -3.733144824e-01 4.22 -3.566702188e-01 4.24 -3.403346259e-01 4.26 -3.243139416e-01 4.28 -3.086200080e-01 4.30 -2.932697564e-01 4.32 -2.782843904e-01 4.34 -2.636883377e-01 4.36 -2.495080695e-01 4.38 -2.357708892e-01 4.40 -2.225037745e-01 4.42 -2.097323153e-01 4.44 -1.974797520e-01 4.46 -1.857660897e-01 4.48 -1.746072572e-01 4.50 -1.640143080e-01 4.52 -1.539926914e-01 4.54 -1.445416650e-01 4.56 -1.356539339e-01 4.58 -1.273156010e-01 4.60 -1.195064694e-01 4.62 -1.122007034e-01 4.64 -1.053677965e-01 4.66 -9.897372909e-02 4.68 -9.298168553e-02 4.70 -8.735484641e-02 4.72 -8.205689977e-02 4.74 -7.705271339e-02 4.76 -7.230934746e-02 4.78 -6.779684511e-02 4.80 -6.348881213e-02 4.82 -5.936281272e-02 4.84 -5.540057953e-02 4.86 -5.158808036e-02 4.88 -4.791542993e-02 4.90 -4.437666157e-02 4.92 -4.096936278e-02 4.94 -3.769418331e-02 4.96 -3.455423140e-02 4.98 -3.155438344e-02 5.00 -2.870054244e-02 5.02 -2.599888936e-02 5.04 -2.345517552e-02 5.06 -2.107410285e-02 5.08 -1.885883149e-02 5.10 -1.681064132e-02 5.12 -1.492875676e-02 5.14 -1.321033066e-02 5.16 -1.165056779e-02 5.18 -1.024295610e-02 5.20 -8.979552718e-03 5.22 -7.851125391e-03 5.24 -6.848067895e-03 5.26 -5.960431019e-03 5.28 -5.178104995e-03 5.30 -4.491093959e-03 5.32 -3.889731860e-03 5.34 -3.364841920e-03 5.36 -2.907845143e-03 5.38 -2.510825222e-03 5.40 -2.166557862e-03 5.42 -1.868512381e-03 5.44 -1.610832736e-03 5.46 -1.388304156e-03 5.48 -1.196310471e-03 5.50 -1.030786192e-03 5.52 -8.881664109e-04 5.54 -7.653368093e-04 5.56 -6.595853413e-04 5.58 -5.685566418e-04 5.60 -4.902097829e-04 5.62 -4.227796911e-04 5.64 -3.647423091e-04 5.66 -3.147834329e-04 5.68 -2.717710477e-04 5.70 -2.347309261e-04 5.72 -2.028252155e-04 5.74 -1.753337332e-04 5.76 -1.516376831e-04 5.78 -1.312055273e-04 5.80 -1.135807568e-04 5.82 -9.837132873e-05 5.84 -8.524055994e-05 5.86 -7.389928637e-05 5.88 -6.409912125e-05 5.90 -5.562666317e-05 5.92 -4.829852418e-05 5.94 -4.195706411e-05 5.96 -3.646673273e-05 5.98 -3.171093385e-05 6.00 -2.758933759e-05