# 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 = AlTi2 # 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 2.169303368e+02 1.16 2.002430682e+02 1.18 1.848960041e+02 1.20 1.707695221e+02 1.22 1.577546733e+02 1.24 1.457524739e+02 1.26 1.346755629e+02 1.28 1.244482778e+02 1.30 1.150036490e+02 1.32 1.062797811e+02 1.34 9.821805035e+01 1.36 9.076342530e+01 1.38 8.386565489e+01 1.40 7.747974966e+01 1.42 7.156525299e+01 1.44 6.608504237e+01 1.46 6.100445024e+01 1.48 5.629107617e+01 1.50 5.191525499e+01 1.52 4.785056576e+01 1.54 4.407379067e+01 1.56 4.056436863e+01 1.58 3.730366341e+01 1.60 3.427430548e+01 1.62 3.145998604e+01 1.64 2.884542159e+01 1.66 2.641552383e+01 1.68 2.415589640e+01 1.70 2.205360626e+01 1.72 2.009860459e+01 1.74 1.828026980e+01 1.76 1.658893748e+01 1.78 1.501581253e+01 1.80 1.355274321e+01 1.82 1.219217612e+01 1.84 1.092718369e+01 1.86 9.751450950e+00 1.88 8.659192484e+00 1.90 7.645035708e+00 1.92 6.703907127e+00 1.94 5.830943360e+00 1.96 5.021443767e+00 1.98 4.270875228e+00 2.00 3.574923094e+00 2.02 2.929560117e+00 2.04 2.331098015e+00 2.06 1.776202677e+00 2.08 1.261879889e+00 2.10 7.854463901e-01 2.12 3.444880078e-01 2.14 -6.319633851e-02 2.16 -4.396562667e-01 2.18 -7.868427643e-01 2.20 -1.106642982e+00 2.22 -1.400897631e+00 2.24 -1.671400805e+00 2.26 -1.919881072e+00 2.28 -2.147966494e+00 2.30 -2.357144202e+00 2.32 -2.548733614e+00 2.34 -2.723881543e+00 2.36 -2.883578836e+00 2.38 -3.028688983e+00 2.40 -3.159980552e+00 2.42 -3.278158138e+00 2.44 -3.383888493e+00 2.46 -3.477896698e+00 2.48 -3.560892112e+00 2.50 -3.633387912e+00 2.52 -3.695945976e+00 2.54 -3.749183761e+00 2.56 -3.793772659e+00 2.58 -3.830431393e+00 2.60 -3.859910938e+00 2.62 -3.882897344e+00 2.64 -3.899800619e+00 2.66 -3.910989153e+00 2.68 -3.916829653e+00 2.70 -3.917658086e+00 2.72 -3.913765477e+00 2.74 -3.905397200e+00 2.76 -3.893059008e+00 2.78 -3.877546932e+00 2.80 -3.858758383e+00 2.82 -3.836593130e+00 2.84 -3.811001247e+00 2.86 -3.781981611e+00 2.88 -3.749578894e+00 2.90 -3.713878712e+00 2.92 -3.675001439e+00 2.94 -3.633103066e+00 2.96 -3.588379300e+00 2.98 -3.541047836e+00 3.00 -3.491349214e+00 3.02 -3.439551146e+00 3.04 -3.385949779e+00 3.06 -3.330865063e+00 3.08 -3.274627342e+00 3.10 -3.217559900e+00 3.12 -3.159959854e+00 3.14 -3.102083226e+00 3.16 -3.044136249e+00 3.18 -2.986274618e+00 3.20 -2.928608349e+00 3.22 -2.871210157e+00 3.24 -2.814124892e+00 3.26 -2.757378265e+00 3.28 -2.700983954e+00 3.30 -2.644948841e+00 3.32 -2.589276608e+00 3.34 -2.533970137e+00 3.36 -2.479033225e+00 3.38 -2.424472077e+00 3.40 -2.370296925e+00 3.42 -2.316524232e+00 3.44 -2.263178905e+00 3.46 -2.210297185e+00 3.48 -2.157929066e+00 3.50 -2.106139815e+00 3.52 -2.055009716e+00 3.54 -2.004631353e+00 3.56 -1.955104197e+00 3.58 -1.906526993e+00 3.60 -1.858989169e+00 3.62 -1.812562938e+00 3.64 -1.767297664e+00 3.66 -1.723217456e+00 3.68 -1.680322041e+00 3.70 -1.638590265e+00 3.72 -1.597985063e+00 3.74 -1.558458834e+00 3.76 -1.519958327e+00 3.78 -1.482428616e+00 3.80 -1.445815990e+00 3.82 -1.410069866e+00 3.84 -1.375143906e+00 3.86 -1.340996559e+00 3.88 -1.307591227e+00 3.90 -1.274896184e+00 3.92 -1.242884294e+00 3.94 -1.211532981e+00 3.96 -1.180823438e+00 3.98 -1.150740522e+00 4.00 -1.121272222e+00 4.02 -1.092409172e+00 4.04 -1.064144136e+00 4.06 -1.036471481e+00 4.08 -1.009386654e+00 4.10 -9.828855905e-01 4.12 -9.569646667e-01 4.14 -9.316196684e-01 4.16 -9.068459130e-01 4.18 -8.826378764e-01 4.20 -8.589890109e-01 4.22 -8.358916319e-01 4.24 -8.133368659e-01 4.26 -7.913146526e-01 4.28 -7.698137904e-01 4.30 -7.488220151e-01 4.32 -7.283261004e-01 4.34 -7.083119681e-01 4.36 -6.887647973e-01 4.38 -6.696691210e-01 4.40 -6.510089025e-01 4.42 -6.327675850e-01 4.44 -6.149281099e-01 4.46 -5.974729071e-01 4.48 -5.803838587e-01 4.50 -5.636422436e-01 4.52 -5.472286737e-01 4.54 -5.311230322e-01 4.56 -5.153044262e-01 4.58 -4.997511680e-01 4.60 -4.844407982e-01 4.62 -4.693501646e-01 4.64 -4.544555724e-01 4.66 -4.397330192e-01 4.68 -4.251585290e-01 4.70 -4.107085990e-01 4.72 -3.963607687e-01 4.74 -3.820943173e-01 4.76 -3.678910866e-01 4.78 -3.537364172e-01 4.80 -3.396200540e-01 4.82 -3.255376874e-01 4.84 -3.114912368e-01 4.86 -2.974903006e-01 4.88 -2.835527309e-01 4.90 -2.697050232e-01 4.92 -2.559822755e-01 4.94 -2.424276276e-01 4.96 -2.290911288e-01 4.98 -2.160280338e-01 5.00 -2.032965953e-01 5.02 -1.909554871e-01 5.04 -1.790610502e-01 5.06 -1.676645944e-01 5.08 -1.568099907e-01 5.10 -1.465317625e-01 5.12 -1.368538253e-01 5.14 -1.277889430e-01 5.16 -1.193388885e-01 5.18 -1.114952161e-01 5.20 -1.042405093e-01 5.22 -9.754993103e-02 5.24 -9.139291153e-02 5.26 -8.573483446e-02 5.28 -8.053859966e-02 5.30 -7.576586979e-02 5.32 -7.137787029e-02 5.34 -6.733772189e-02 5.36 -6.361003776e-02 5.38 -6.016126920e-02 5.40 -5.696006232e-02 5.42 -5.397745116e-02 5.44 -5.118692994e-02 5.46 -4.856444130e-02 5.48 -4.608831104e-02 5.50 -4.373915373e-02 5.52 -4.149976749e-02 5.54 -3.935503117e-02 5.56 -3.729181249e-02 5.58 -3.529889139e-02 5.60 -3.336689940e-02 5.62 -3.148827191e-02 5.64 -2.965720776e-02 5.66 -2.786962684e-02 5.68 -2.612311875e-02 5.70 -2.441686578e-02 5.72 -2.275153271e-02 5.74 -2.112911472e-02 5.76 -1.955273808e-02 5.78 -1.802641479e-02 5.80 -1.655475155e-02 5.82 -1.514263750e-02 5.84 -1.379492152e-02 5.86 -1.251609938e-02 5.88 -1.131003390e-02 5.90 -1.017972729e-02 5.92 -9.127083279e-03 5.94 -8.152793538e-03 5.96 -7.256734673e-03 5.98 -6.437687749e-03 6.00 -5.693426074e-03