# 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 = Au2Mo # 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 4.371031595e+02 1.16 4.039796378e+02 1.18 3.735095092e+02 1.20 3.454656213e+02 1.22 3.196305800e+02 1.24 2.957982709e+02 1.26 2.737796674e+02 1.28 2.534071444e+02 1.30 2.345353512e+02 1.32 2.170395087e+02 1.34 2.008124578e+02 1.36 1.857612398e+02 1.38 1.718033174e+02 1.40 1.588624915e+02 1.42 1.468655878e+02 1.44 1.357411491e+02 1.46 1.254199143e+02 1.48 1.158359631e+02 1.50 1.069278935e+02 1.52 9.863978541e+01 1.54 9.092157279e+01 1.56 8.372862334e+01 1.58 7.702080455e+01 1.60 7.076150006e+01 1.62 6.491684913e+01 1.64 5.945526829e+01 1.66 5.435470633e+01 1.68 4.962136849e+01 1.70 4.523187676e+01 1.72 4.116147359e+01 1.74 3.738875648e+01 1.76 3.389536123e+01 1.78 3.066526206e+01 1.80 2.768384044e+01 1.82 2.493700282e+01 1.84 2.241060712e+01 1.86 2.009029389e+01 1.88 1.796163854e+01 1.90 1.601045051e+01 1.92 1.422305533e+01 1.94 1.258646481e+01 1.96 1.108842957e+01 1.98 9.717431399e+00 2.00 8.462679721e+00 2.02 7.314132563e+00 2.04 6.262516839e+00 2.06 5.299316531e+00 2.08 4.416725799e+00 2.10 3.607591495e+00 2.12 2.865372256e+00 2.14 2.184123711e+00 2.16 1.558499443e+00 2.18 9.837485140e-01 2.20 4.556942902e-01 2.22 -2.931025779e-02 2.24 -4.744462405e-01 2.26 -8.825022274e-01 2.28 -1.255947749e+00 2.30 -1.596999692e+00 2.32 -1.907677652e+00 2.34 -2.189847291e+00 2.36 -2.445223113e+00 2.38 -2.675279014e+00 2.40 -2.881733801e+00 2.42 -3.066263509e+00 2.44 -3.230446417e+00 2.46 -3.375779706e+00 2.48 -3.503692032e+00 2.50 -3.615552658e+00 2.52 -3.712656154e+00 2.54 -3.796025294e+00 2.56 -3.866549449e+00 2.58 -3.925133658e+00 2.60 -3.972718476e+00 2.62 -4.010384278e+00 2.64 -4.038832935e+00 2.66 -4.058691224e+00 2.68 -4.070564216e+00 2.70 -4.075017981e+00 2.72 -4.072572424e+00 2.74 -4.063702151e+00 2.76 -4.048841540e+00 2.78 -4.028380341e+00 2.80 -4.002667838e+00 2.82 -3.972031375e+00 2.84 -3.936778067e+00 2.86 -3.897194315e+00 2.88 -3.853545306e+00 2.90 -3.806075321e+00 2.92 -3.755009445e+00 2.94 -3.700556973e+00 2.96 -3.642916385e+00 2.98 -3.582281275e+00 3.00 -3.518846131e+00 3.02 -3.452810505e+00 3.04 -3.384380155e+00 3.06 -3.313764316e+00 3.08 -3.241169298e+00 3.10 -3.166789860e+00 3.12 -3.090800655e+00 3.14 -3.013350145e+00 3.16 -2.934558664e+00 3.18 -2.854521119e+00 3.20 -2.773313722e+00 3.22 -2.691003477e+00 3.24 -2.607659028e+00 3.26 -2.523361687e+00 3.28 -2.438215800e+00 3.30 -2.352357808e+00 3.32 -2.265963489e+00 3.34 -2.179252822e+00 3.36 -2.092491894e+00 3.38 -2.005991322e+00 3.40 -1.920100805e+00 3.42 -1.835199810e+00 3.44 -1.751684782e+00 3.46 -1.669953791e+00 3.48 -1.590389940e+00 3.50 -1.513345079e+00 3.52 -1.439125394e+00 3.54 -1.367980184e+00 3.56 -1.300094709e+00 3.58 -1.235587421e+00 3.60 -1.174511391e+00 3.62 -1.116859263e+00 3.64 -1.062570819e+00 3.66 -1.011542143e+00 3.68 -9.636353828e-01 3.70 -9.186883327e-01 3.72 -8.765232009e-01 3.74 -8.369542072e-01 3.76 -7.997938202e-01 3.78 -7.648576150e-01 3.80 -7.319678393e-01 3.82 -7.009558444e-01 3.84 -6.716635679e-01 3.86 -6.439442639e-01 3.88 -6.176626596e-01 3.90 -5.926947039e-01 3.92 -5.689270404e-01 3.94 -5.462563246e-01 3.96 -5.245884589e-01 3.98 -5.038378342e-01 4.00 -4.839266152e-01 4.02 -4.647841154e-01 4.04 -4.463462892e-01 4.06 -4.285553592e-01 4.08 -4.113595899e-01 4.10 -3.947132044e-01 4.12 -3.785764434e-01 4.14 -3.629157150e-01 4.16 -3.477038255e-01 4.18 -3.329202037e-01 4.20 -3.185510516e-01 4.22 -3.045893286e-01 4.24 -2.910344783e-01 4.26 -2.778918178e-01 4.28 -2.651715454e-01 4.30 -2.528873676e-01 4.32 -2.410548112e-01 4.34 -2.296893432e-01 4.36 -2.188044720e-01 4.38 -2.084100200e-01 4.40 -1.985107414e-01 4.42 -1.891054196e-01 4.44 -1.801865021e-01 4.46 -1.717402549e-01 4.48 -1.637469902e-01 4.50 -1.561825050e-01 4.52 -1.490197245e-01 4.54 -1.422289261e-01 4.56 -1.357789100e-01 4.58 -1.296380354e-01 4.60 -1.237750773e-01 4.62 -1.181598961e-01 4.64 -1.127639404e-01 4.66 -1.075606087e-01 4.68 -1.025255072e-01 4.70 -9.763663387e-02 4.72 -9.287452176e-02 4.74 -8.822236049e-02 4.76 -8.366611296e-02 4.78 -7.919463175e-02 4.80 -7.479977123e-02 4.82 -7.047649198e-02 4.84 -6.622291841e-02 4.86 -6.204035332e-02 4.88 -5.793320115e-02 4.90 -5.390878333e-02 4.92 -4.997702407e-02 4.94 -4.614999743e-02 4.96 -4.244134026e-02 4.98 -3.886555310e-02 5.00 -3.543722725e-02 5.02 -3.217024892e-02 5.04 -2.907704480e-02 5.06 -2.616792336e-02 5.08 -2.345055758e-02 5.10 -2.092965449e-02 5.12 -1.860681226e-02 5.14 -1.648057844e-02 5.16 -1.454667587e-02 5.18 -1.279835097e-02 5.20 -1.122678539e-02 5.22 -9.821336088e-03 5.24 -8.570676618e-03 5.26 -7.462892360e-03 5.28 -6.485747853e-03 5.30 -5.627053732e-03 5.32 -4.874956608e-03 5.34 -4.218154927e-03 5.36 -3.646048094e-03 5.38 -3.148828480e-03 5.40 -2.717526718e-03 5.42 -2.344020505e-03 5.44 -2.021016159e-03 5.46 -1.742010963e-03 5.48 -1.501242899e-03 5.50 -1.293633056e-03 5.52 -1.114724713e-03 5.54 -9.606221004e-04 5.56 -8.279309023e-04 5.58 -7.137019046e-04 5.60 -6.153786333e-04 5.62 -5.307494239e-04 5.64 -4.579040671e-04 5.66 -3.951949736e-04 5.68 -3.412026597e-04 5.70 -2.947052733e-04 5.72 -2.546518336e-04 5.74 -2.201388362e-04 5.76 -1.903898789e-04 5.78 -1.647379726e-04 5.80 -1.426102252e-04 5.82 -1.235146077e-04 5.84 -1.070285410e-04 5.86 -9.278906752e-05 5.88 -8.048439739e-05 5.90 -6.984664507e-05 5.92 -6.064559274e-05 5.94 -5.268333910e-05 5.96 -4.578970992e-05 5.98 -3.981832318e-05 6.00 -3.464321617e-05