# 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 = CoCu2 # 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 1.331117791e+02 1.16 1.217830987e+02 1.18 1.114159510e+02 1.20 1.019226533e+02 1.22 9.322386298e+01 1.24 8.524860069e+01 1.26 7.793414748e+01 1.28 7.122434755e+01 1.30 6.506712638e+01 1.32 5.941370054e+01 1.34 5.421951814e+01 1.36 4.944486249e+01 1.38 4.505439910e+01 1.40 4.101657222e+01 1.42 3.730361201e+01 1.44 3.389089352e+01 1.46 3.075421985e+01 1.48 2.787091996e+01 1.50 2.521993995e+01 1.52 2.278209744e+01 1.54 2.053995507e+01 1.56 1.847746136e+01 1.58 1.657975286e+01 1.60 1.483330189e+01 1.62 1.322618941e+01 1.64 1.174810264e+01 1.66 1.038994021e+01 1.68 9.143274466e+00 1.70 7.999933047e+00 1.72 6.951778853e+00 1.74 5.990709028e+00 1.76 5.108884084e+00 1.78 4.299083420e+00 1.80 3.554987782e+00 1.82 2.871247828e+00 1.84 2.243344657e+00 1.86 1.667351013e+00 1.88 1.139706242e+00 1.90 6.570628812e-01 1.92 2.162116400e-01 1.94 -1.859305601e-01 1.96 -5.522892727e-01 1.98 -8.855789848e-01 2.00 -1.188251610e+00 2.02 -1.462474241e+00 2.04 -1.710155157e+00 2.06 -1.933011801e+00 2.08 -2.132650512e+00 2.10 -2.310627341e+00 2.12 -2.468478047e+00 2.14 -2.607722870e+00 2.16 -2.729884147e+00 2.18 -2.836461496e+00 2.20 -2.928787825e+00 2.22 -3.008145687e+00 2.24 -3.075761968e+00 2.26 -3.132797305e+00 2.28 -3.180609268e+00 2.30 -3.220632986e+00 2.32 -3.252977700e+00 2.34 -3.277751153e+00 2.36 -3.295181963e+00 2.38 -3.305557706e+00 2.40 -3.309171781e+00 2.42 -3.306294411e+00 2.44 -3.297216256e+00 2.46 -3.282251737e+00 2.48 -3.261686885e+00 2.50 -3.235795624e+00 2.52 -3.204858414e+00 2.54 -3.169178010e+00 2.56 -3.129091299e+00 2.58 -3.084974869e+00 2.60 -3.037242172e+00 2.62 -2.986333057e+00 2.64 -2.932700629e+00 2.66 -2.876802012e+00 2.68 -2.819096101e+00 2.70 -2.760044733e+00 2.72 -2.700109354e+00 2.74 -2.639736906e+00 2.76 -2.579335260e+00 2.78 -2.519245374e+00 2.80 -2.459720046e+00 2.82 -2.400916524e+00 2.84 -2.342904470e+00 2.86 -2.285685549e+00 2.88 -2.229218391e+00 2.90 -2.173443149e+00 2.92 -2.118301918e+00 2.94 -2.063753518e+00 2.96 -2.009782677e+00 2.98 -1.956404207e+00 3.00 -1.903662773e+00 3.02 -1.851628588e+00 3.04 -1.800389416e+00 3.06 -1.750039849e+00 3.08 -1.700669624e+00 3.10 -1.652353280e+00 3.12 -1.605143244e+00 3.14 -1.559067283e+00 3.16 -1.514129967e+00 3.18 -1.470316799e+00 3.20 -1.427599426e+00 3.22 -1.385940702e+00 3.24 -1.345298929e+00 3.26 -1.305631081e+00 3.28 -1.266895122e+00 3.30 -1.229051579e+00 3.32 -1.192064562e+00 3.34 -1.155902329e+00 3.36 -1.120537446e+00 3.38 -1.085946595e+00 3.40 -1.052110050e+00 3.42 -1.019010901e+00 3.44 -9.866340790e-01 3.46 -9.549653068e-01 3.48 -9.239900546e-01 3.50 -8.936926059e-01 3.52 -8.640553113e-01 3.54 -8.350580948e-01 3.56 -8.066782628e-01 3.58 -7.788906560e-01 3.60 -7.516681740e-01 3.62 -7.249826944e-01 3.64 -6.988063941e-01 3.66 -6.731134550e-01 3.68 -6.478820985e-01 3.70 -6.230968341e-01 3.72 -5.987507389e-01 3.74 -5.748475041e-01 3.76 -5.514029272e-01 3.78 -5.284454957e-01 3.80 -5.060157537e-01 3.82 -4.841642632e-01 3.84 -4.629481776e-01 3.86 -4.424267028e-01 3.88 -4.226559604e-01 3.90 -4.036839316e-01 3.92 -3.855461736e-01 3.94 -3.682628638e-01 3.96 -3.518374694e-01 3.98 -3.362570427e-01 4.00 -3.214938783e-01 4.02 -3.075081090e-01 4.04 -2.942507689e-01 4.06 -2.816669031e-01 4.08 -2.696984152e-01 4.10 -2.582864714e-01 4.12 -2.473733988e-01 4.14 -2.369040984e-01 4.16 -2.268270511e-01 4.18 -2.170950173e-01 4.20 -2.076655292e-01 4.22 -1.985012647e-01 4.24 -1.895703675e-01 4.26 -1.808467480e-01 4.28 -1.723103736e-01 4.30 -1.639475238e-01 4.32 -1.557509628e-01 4.34 -1.477199606e-01 4.36 -1.398600862e-01 4.38 -1.321827018e-01 4.40 -1.247041119e-01 4.42 -1.174443582e-01 4.44 -1.104257075e-01 4.46 -1.036709289e-01 4.48 -9.720150648e-02 4.50 -9.103595495e-02 4.52 -8.518840040e-02 4.54 -7.966755816e-02 4.56 -7.447618196e-02 4.58 -6.961099652e-02 4.60 -6.506306603e-02 4.62 -6.081850799e-02 4.64 -5.685943860e-02 4.66 -5.316503610e-02 4.68 -4.971262531e-02 4.70 -4.647870580e-02 4.72 -4.343967703e-02 4.74 -4.057306905e-02 4.76 -3.785813618e-02 4.78 -3.527615347e-02 4.80 -3.281088626e-02 4.82 -3.044893210e-02 4.84 -2.817993734e-02 4.86 -2.599668717e-02 4.88 -2.389505811e-02 4.90 -2.187382259e-02 4.92 -1.993430017e-02 4.94 -1.807986185e-02 4.96 -1.631513860e-02 4.98 -1.464556735e-02 5.00 -1.307683509e-02 5.02 -1.161393906e-02 5.04 -1.026061723e-02 5.06 -9.018939432e-03 5.08 -7.889085124e-03 5.10 -6.869308429e-03 5.12 -5.956067280e-03 5.14 -5.144277223e-03 5.16 -4.427642783e-03 5.18 -3.799020216e-03 5.20 -3.250772712e-03 5.22 -2.775089721e-03 5.24 -2.364253403e-03 5.26 -2.010845243e-03 5.28 -1.707893567e-03 5.30 -1.448967812e-03 5.32 -1.228228121e-03 5.34 -1.040439751e-03 5.36 -8.809614357e-04 5.38 -7.457157611e-04 5.40 -6.311482258e-04 5.42 -5.341801910e-04 5.44 -4.521595936e-04 5.46 -3.828121503e-04 5.48 -3.241948548e-04 5.50 -2.746528622e-04 5.52 -2.327803292e-04 5.54 -1.973854071e-04 5.56 -1.674593360e-04 5.58 -1.421494299e-04 5.60 -1.207356506e-04 5.62 -1.026104252e-04 5.64 -8.726134935e-05 5.66 -7.425642595e-05 5.68 -6.323151228e-05 5.70 -5.387967424e-05 5.72 -4.594217868e-05 5.74 -3.920088540e-05 5.76 -3.347183026e-05 5.78 -2.859981899e-05 5.80 -2.445387609e-05 5.82 -2.092341599e-05 5.84 -1.791502288e-05 5.86 -1.534974323e-05 5.88 -1.316080951e-05 5.90 -1.129172635e-05 5.92 -9.694661174e-06 5.94 -8.329090681e-06 5.96 -7.160662000e-06 5.98 -6.160234252e-06 6.00 -5.303071542e-06