# 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 = FePb2 # 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 4.417692106e+02 1.16 4.095680078e+02 1.18 3.798686265e+02 1.20 3.524430087e+02 1.22 3.270870265e+02 1.24 3.036205154e+02 1.26 2.818854833e+02 1.28 2.617432319e+02 1.30 2.430706393e+02 1.32 2.257560751e+02 1.34 2.096957218e+02 1.36 1.947913982e+02 1.38 1.809502797e+02 1.40 1.680860286e+02 1.42 1.561201079e+02 1.44 1.449821563e+02 1.46 1.346092933e+02 1.48 1.249449222e+02 1.50 1.159375676e+02 1.52 1.075398851e+02 1.54 9.970793300e+01 1.56 9.240103151e+01 1.58 8.559768119e+01 1.60 7.926887323e+01 1.62 7.337974537e+01 1.64 6.789875365e+01 1.66 6.279772499e+01 1.68 5.805167109e+01 1.70 5.363828482e+01 1.72 4.953720061e+01 1.74 4.572918866e+01 1.76 4.219552433e+01 1.78 3.891767725e+01 1.80 3.587734469e+01 1.82 3.305675827e+01 1.84 3.043907233e+01 1.86 2.800865837e+01 1.88 2.575123441e+01 1.90 2.365381870e+01 1.92 2.170457208e+01 1.94 1.989263797e+01 1.96 1.820798336e+01 1.98 1.664128875e+01 2.00 1.518387775e+01 2.02 1.382769065e+01 2.04 1.256528974e+01 2.06 1.138987949e+01 2.08 1.029531876e+01 2.10 9.276095018e+00 2.12 8.327268234e+00 2.14 7.444377218e+00 2.16 6.623339547e+00 2.18 5.860362001e+00 2.20 5.151871944e+00 2.22 4.494477885e+00 2.24 3.884951319e+00 2.26 3.320222696e+00 2.28 2.797382672e+00 2.30 2.313681778e+00 2.32 1.866521470e+00 2.34 1.453451717e+00 2.36 1.072154507e+00 2.38 7.204353456e-01 2.40 3.962177841e-01 2.42 9.754320925e-02 2.44 -1.774236124e-01 2.46 -4.303885252e-01 2.48 -6.629237446e-01 2.50 -8.764688707e-01 2.52 -1.072337747e+00 2.54 -1.251729867e+00 2.56 -1.415744052e+00 2.58 -1.565395818e+00 2.60 -1.701621318e+00 2.62 -1.825289262e+00 2.64 -1.937215715e+00 2.66 -2.038164457e+00 2.68 -2.128853325e+00 2.70 -2.209954375e+00 2.72 -2.282093941e+00 2.74 -2.345852459e+00 2.76 -2.401758524e+00 2.78 -2.450223891e+00 2.80 -2.491590351e+00 2.82 -2.526180102e+00 2.84 -2.554302656e+00 2.86 -2.576256971e+00 2.88 -2.592335295e+00 2.90 -2.602919002e+00 2.92 -2.608272681e+00 2.94 -2.608565325e+00 2.96 -2.603996004e+00 2.98 -2.594788372e+00 3.00 -2.581185134e+00 3.02 -2.563442646e+00 3.04 -2.541817376e+00 3.06 -2.516536855e+00 3.08 -2.487816988e+00 3.10 -2.455883081e+00 3.12 -2.420964995e+00 3.14 -2.383300414e+00 3.16 -2.343130332e+00 3.18 -2.300704927e+00 3.20 -2.256284262e+00 3.22 -2.210139210e+00 3.24 -2.162550981e+00 3.26 -2.113809037e+00 3.28 -2.064207397e+00 3.30 -2.014039530e+00 3.32 -1.963592118e+00 3.34 -1.913138142e+00 3.36 -1.862929891e+00 3.38 -1.813192578e+00 3.40 -1.764118629e+00 3.42 -1.715867206e+00 3.44 -1.668558794e+00 3.46 -1.622279263e+00 3.48 -1.577081867e+00 3.50 -1.532991411e+00 3.52 -1.490009272e+00 3.54 -1.448118793e+00 3.56 -1.407290684e+00 3.58 -1.367488146e+00 3.60 -1.328671520e+00 3.62 -1.290802333e+00 3.64 -1.253846595e+00 3.66 -1.217777240e+00 3.68 -1.182575571e+00 3.70 -1.148231604e+00 3.72 -1.114743295e+00 3.74 -1.082114739e+00 3.76 -1.050353593e+00 3.78 -1.019468115e+00 3.80 -9.894642898e-01 3.82 -9.603434652e-01 3.84 -9.321008232e-01 3.86 -9.047248117e-01 3.88 -8.781974685e-01 3.90 -8.524954275e-01 3.92 -8.275900806e-01 3.94 -8.034543027e-01 3.96 -7.800556764e-01 3.98 -7.573634424e-01 4.00 -7.353478485e-01 4.02 -7.139807284e-01 4.04 -6.932358185e-01 4.06 -6.730888684e-01 4.08 -6.535176043e-01 4.10 -6.344999930e-01 4.12 -6.160207751e-01 4.14 -5.980607026e-01 4.16 -5.806037492e-01 4.18 -5.636349617e-01 4.20 -5.471402929e-01 4.22 -5.311064572e-01 4.24 -5.155208095e-01 4.26 -5.003712443e-01 4.28 -4.856461138e-01 4.30 -4.713341620e-01 4.32 -4.574244720e-01 4.34 -4.439064238e-01 4.36 -4.307696609e-01 4.38 -4.180040639e-01 4.40 -4.055997295e-01 4.42 -3.935469526e-01 4.44 -3.818362130e-01 4.46 -3.704581629e-01 4.48 -3.594036166e-01 4.50 -3.486635416e-01 4.52 -3.382290497e-01 4.54 -3.280913891e-01 4.56 -3.182419365e-01 4.58 -3.086721895e-01 4.60 -2.993737585e-01 4.62 -2.903383592e-01 4.64 -2.815578047e-01 4.66 -2.730239980e-01 4.68 -2.647289241e-01 4.70 -2.566646431e-01 4.72 -2.488232836e-01 4.74 -2.411970371e-01 4.76 -2.337781538e-01 4.78 -2.265589399e-01 4.80 -2.195296829e-01 4.82 -2.126872869e-01 4.84 -2.060217805e-01 4.86 -1.995257421e-01 4.88 -1.931918456e-01 4.90 -1.870128870e-01 4.92 -1.809818195e-01 4.94 -1.750917977e-01 4.96 -1.693362332e-01 4.98 -1.637088607e-01 5.00 -1.582038159e-01 5.02 -1.528157251e-01 5.04 -1.475398034e-01 5.06 -1.423719599e-01 5.08 -1.373089035e-01 5.10 -1.323482439e-01 5.12 -1.274885816e-01 5.14 -1.227295741e-01 5.16 -1.180719707e-01 5.18 -1.135176040e-01 5.20 -1.090693303e-01 5.22 -1.047309115e-01 5.24 -1.005068391e-01 5.26 -9.640197769e-02 5.28 -9.242081952e-02 5.30 -8.856866845e-02 5.32 -8.485055505e-02 5.34 -8.127074710e-02 5.36 -7.783248262e-02 5.38 -7.453776192e-02 5.40 -7.138721217e-02 5.42 -6.838003078e-02 5.44 -6.551400589e-02 5.46 -6.278560547e-02 5.48 -6.019012144e-02 5.50 -5.772185238e-02 5.52 -5.537430794e-02 5.54 -5.314041900e-02 5.56 -5.101274075e-02 5.58 -4.898363892e-02 5.60 -4.704545288e-02 5.62 -4.519063275e-02 5.64 -4.341185001e-02 5.66 -4.170208357e-02 5.68 -4.005468384e-02 5.70 -3.846341895e-02 5.72 -3.692250661e-02 5.74 -3.542663573e-02 5.76 -3.397098088e-02 5.78 -3.255121261e-02 5.80 -3.116350569e-02 5.82 -2.980454667e-02 5.84 -2.847154149e-02 5.86 -2.716222321e-02 5.88 -2.587485900e-02 5.90 -2.460825527e-02 5.92 -2.336175901e-02 5.94 -2.213525327e-02 5.96 -2.092914449e-02 5.98 -1.974433817e-02 6.00 -1.858220319e-02