# 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 = AgMg2 # 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 3.805325906e+02 1.16 3.508688311e+02 1.18 3.236364519e+02 1.20 2.986169058e+02 1.22 2.756135989e+02 1.24 2.544494238e+02 1.26 2.349652372e+02 1.28 2.170180721e+02 1.30 2.004787686e+02 1.32 1.852297922e+02 1.34 1.711638370e+02 1.36 1.581831357e+02 1.38 1.461989282e+02 1.40 1.351306144e+02 1.42 1.249046472e+02 1.44 1.154536037e+02 1.46 1.067166002e+02 1.48 9.863650597e+01 1.50 9.116070770e+01 1.52 8.424156023e+01 1.54 7.783603432e+01 1.56 7.190509119e+01 1.58 6.641305162e+01 1.60 6.132709669e+01 1.62 5.661686876e+01 1.64 5.225416029e+01 1.66 4.821269203e+01 1.68 4.446801858e+01 1.70 4.099754496e+01 1.72 3.778053752e+01 1.74 3.479804407e+01 1.76 3.203271775e+01 1.78 2.946862150e+01 1.80 2.709106717e+01 1.82 2.488650112e+01 1.84 2.284241289e+01 1.86 2.094726710e+01 1.88 1.919042879e+01 1.90 1.756208027e+01 1.92 1.605312682e+01 1.94 1.465509947e+01 1.96 1.336007599e+01 1.98 1.216063214e+01 2.00 1.104982507e+01 2.02 1.002119543e+01 2.04 9.068772128e+00 2.06 8.187060176e+00 2.08 7.371003641e+00 2.10 6.615936048e+00 2.12 5.917529308e+00 2.14 5.271754688e+00 2.16 4.674857223e+00 2.18 4.123337150e+00 2.20 3.613938435e+00 2.22 3.143636279e+00 2.24 2.709628569e+00 2.26 2.309329076e+00 2.28 1.940357541e+00 2.30 1.600531343e+00 2.32 1.287844258e+00 2.34 1.000446743e+00 2.36 7.366214619e-01 2.38 4.947629172e-01 2.40 2.733612262e-01 2.42 7.098986583e-02 2.44 -1.136998622e-01 2.46 -2.819826332e-01 2.48 -4.350595299e-01 2.50 -5.740589743e-01 2.52 -7.000973479e-01 2.54 -8.142502609e-01 2.56 -9.173223241e-01 2.58 -1.010091929e+00 2.60 -1.093321520e+00 2.62 -1.167749912e+00 2.64 -1.234081668e+00 2.66 -1.292972899e+00 2.68 -1.345023234e+00 2.70 -1.390778266e+00 2.72 -1.430725842e+00 2.74 -1.465298027e+00 2.76 -1.494880585e+00 2.78 -1.519821850e+00 2.80 -1.540441628e+00 2.82 -1.557034641e+00 2.84 -1.569876205e+00 2.86 -1.579244627e+00 2.88 -1.585416108e+00 2.90 -1.588572452e+00 2.92 -1.588893223e+00 2.94 -1.586561162e+00 2.96 -1.581762751e+00 2.98 -1.574689129e+00 3.00 -1.565536879e+00 3.02 -1.554503479e+00 3.04 -1.541734786e+00 3.06 -1.527352668e+00 3.08 -1.511493751e+00 3.10 -1.494303360e+00 3.12 -1.475926462e+00 3.14 -1.456502080e+00 3.16 -1.436156815e+00 3.18 -1.415004250e+00 3.20 -1.393144818e+00 3.22 -1.370667643e+00 3.24 -1.347653161e+00 3.26 -1.324175795e+00 3.28 -1.300306089e+00 3.30 -1.276111951e+00 3.32 -1.251658944e+00 3.34 -1.227009789e+00 3.36 -1.202223502e+00 3.38 -1.177354565e+00 3.40 -1.152452326e+00 3.42 -1.127561597e+00 3.44 -1.102722123e+00 3.46 -1.077969873e+00 3.48 -1.053337503e+00 3.50 -1.028854884e+00 3.52 -1.004549462e+00 3.54 -9.804464561e-01 3.56 -9.565689169e-01 3.58 -9.329377182e-01 3.60 -9.095715162e-01 3.62 -8.864867243e-01 3.64 -8.636975351e-01 3.66 -8.412160129e-01 3.68 -8.190522754e-01 3.70 -7.972147729e-01 3.72 -7.757106664e-01 3.74 -7.545462907e-01 3.76 -7.337276723e-01 3.78 -7.132610496e-01 3.80 -6.931533259e-01 3.82 -6.734123690e-01 3.84 -6.540470818e-01 3.86 -6.350671928e-01 3.88 -6.164827672e-01 3.90 -5.983035060e-01 3.92 -5.805376652e-01 3.94 -5.631925396e-01 3.96 -5.462719994e-01 3.98 -5.297775945e-01 4.00 -5.137082228e-01 4.02 -4.980604062e-01 4.04 -4.828287217e-01 4.06 -4.680062941e-01 4.08 -4.535852708e-01 4.10 -4.395568379e-01 4.12 -4.259131704e-01 4.14 -4.126450601e-01 4.16 -3.997438807e-01 4.18 -3.872011657e-01 4.20 -3.750086272e-01 4.22 -3.631581408e-01 4.24 -3.516417122e-01 4.26 -3.404514331e-01 4.28 -3.295794348e-01 4.30 -3.190178441e-01 4.32 -3.087587435e-01 4.34 -2.987941378e-01 4.36 -2.891159261e-01 4.38 -2.797158811e-01 4.40 -2.705856318e-01 4.42 -2.617166518e-01 4.44 -2.531002505e-01 4.46 -2.447275681e-01 4.48 -2.365895730e-01 4.50 -2.286770635e-01 4.52 -2.209806726e-01 4.54 -2.134908790e-01 4.56 -2.061980244e-01 4.58 -1.990923393e-01 4.60 -1.921639806e-01 4.62 -1.854030818e-01 4.64 -1.787998194e-01 4.66 -1.723444987e-01 4.68 -1.660276599e-01 4.70 -1.598402069e-01 4.72 -1.537735610e-01 4.74 -1.478198371e-01 4.76 -1.419720410e-01 4.78 -1.362242840e-01 4.80 -1.305714760e-01 4.82 -1.250117556e-01 4.84 -1.195432202e-01 4.86 -1.141665236e-01 4.88 -1.088843402e-01 4.90 -1.037013915e-01 4.92 -9.862437140e-02 4.94 -9.366175585e-02 4.96 -8.882348989e-02 4.98 -8.412055751e-02 5.00 -7.956445325e-02 5.02 -7.516658993e-02 5.04 -7.093768585e-02 5.06 -6.688715516e-02 5.08 -6.302260549e-02 5.10 -5.934944151e-02 5.12 -5.587061184e-02 5.14 -5.258651416e-02 5.16 -4.949505472e-02 5.18 -4.659182570e-02 5.20 -4.386942945e-02 5.22 -4.131983256e-02 5.24 -3.893441501e-02 5.26 -3.670358007e-02 5.28 -3.461720143e-02 5.30 -3.266502145e-02 5.32 -3.083698752e-02 5.34 -2.912352037e-02 5.36 -2.751571250e-02 5.38 -2.600545865e-02 5.40 -2.458552280e-02 5.42 -2.324954794e-02 5.44 -2.199201619e-02 5.46 -2.080816858e-02 5.48 -1.969389496e-02 5.50 -1.864560594e-02 5.52 -1.766009858e-02 5.54 -1.673442752e-02 5.56 -1.586579142e-02 5.58 -1.505144190e-02 5.60 -1.428861928e-02 5.62 -1.357451565e-02 5.64 -1.290626320e-02 5.66 -1.228094319e-02 5.68 -1.169560988e-02 5.70 -1.114732326e-02 5.72 -1.063318526e-02 5.74 -1.015037438e-02 5.76 -9.696151550e-03 5.78 -9.267925413e-03 5.80 -8.863271856e-03 5.82 -8.479926780e-03 5.84 -8.115791146e-03 5.86 -7.768931054e-03 5.88 -7.437574043e-03 5.90 -7.120102833e-03 5.92 -6.815047586e-03 5.94 -6.521077637e-03 5.96 -6.236993447e-03 5.98 -5.961719378e-03 6.00 -5.694297687e-03