# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Wu-Y-Yan-G-Yu-P-et-al--Hf-Nb-Zr-Ti-Ta # implementation = 2026--Wu-Y--Hf-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = HfNb2 # 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 2026-06-16 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 5.066654024e+02 1.12 4.700502381e+02 1.14 4.362503687e+02 1.16 4.050102920e+02 1.18 3.761054056e+02 1.20 3.493441778e+02 1.22 3.245606621e+02 1.24 3.015999191e+02 1.26 2.803147025e+02 1.28 2.605664950e+02 1.30 2.422246157e+02 1.32 2.251701124e+02 1.34 2.092983847e+02 1.36 1.945177003e+02 1.38 1.807455478e+02 1.40 1.679072257e+02 1.42 1.559348556e+02 1.44 1.447652482e+02 1.46 1.343401690e+02 1.48 1.246071870e+02 1.50 1.155185636e+02 1.52 1.070284711e+02 1.54 9.909303881e+01 1.56 9.167212818e+01 1.58 8.474243775e+01 1.60 7.828659999e+01 1.62 7.227096776e+01 1.64 6.666495626e+01 1.66 6.144053821e+01 1.68 5.657194769e+01 1.70 5.203596089e+01 1.72 4.781111552e+01 1.74 4.387715073e+01 1.76 4.021466777e+01 1.78 3.680472794e+01 1.80 3.362914638e+01 1.82 3.067073341e+01 1.84 2.791430241e+01 1.86 2.534679502e+01 1.88 2.295722650e+01 1.90 2.073608183e+01 1.92 1.867442146e+01 1.94 1.676312580e+01 1.96 1.499256577e+01 1.98 1.335279551e+01 2.00 1.183378553e+01 2.02 1.042573159e+01 2.04 9.119389667e+00 2.06 7.906359909e+00 2.08 6.779325778e+00 2.10 5.732029133e+00 2.12 4.759174677e+00 2.14 3.856106717e+00 2.16 3.018779487e+00 2.18 2.243419709e+00 2.20 1.526452302e+00 2.22 8.644781662e-01 2.24 2.542951803e-01 2.26 -3.070928645e-01 2.28 -8.227459515e-01 2.30 -1.295693493e+00 2.32 -1.729208939e+00 2.34 -2.126721472e+00 2.36 -2.491647873e+00 2.38 -2.827282083e+00 2.40 -3.136543905e+00 2.42 -3.422000680e+00 2.44 -3.685828589e+00 2.46 -3.929827990e+00 2.48 -4.155459794e+00 2.50 -4.363902656e+00 2.52 -4.556233999e+00 2.54 -4.733469285e+00 2.56 -4.896377082e+00 2.58 -5.045738291e+00 2.60 -5.182530892e+00 2.62 -5.307511352e+00 2.64 -5.420163981e+00 2.66 -5.520759432e+00 2.68 -5.609850110e+00 2.70 -5.687769982e+00 2.72 -5.754656344e+00 2.74 -5.810588490e+00 2.76 -5.855892027e+00 2.78 -5.890910297e+00 2.80 -5.916115420e+00 2.82 -5.932232511e+00 2.84 -5.940133313e+00 2.86 -5.940216427e+00 2.88 -5.932879383e+00 2.90 -5.918512276e+00 2.92 -5.897480636e+00 2.94 -5.870115631e+00 2.96 -5.836710648e+00 2.98 -5.797521333e+00 3.00 -5.752766572e+00 3.02 -5.702629386e+00 3.04 -5.647257406e+00 3.06 -5.586692285e+00 3.08 -5.521177195e+00 3.10 -5.450673885e+00 3.12 -5.375219728e+00 3.14 -5.294842789e+00 3.16 -5.209575001e+00 3.18 -5.119466943e+00 3.20 -5.024604724e+00 3.22 -4.925126280e+00 3.24 -4.821237811e+00 3.26 -4.713227081e+00 3.28 -4.601474996e+00 3.30 -4.486463333e+00 3.32 -4.368780478e+00 3.34 -4.249106322e+00 3.36 -4.128284728e+00 3.38 -4.007194249e+00 3.40 -3.886805861e+00 3.42 -3.768113403e+00 3.44 -3.652063956e+00 3.46 -3.539478738e+00 3.48 -3.430978591e+00 3.50 -3.326936577e+00 3.52 -3.227466319e+00 3.54 -3.132447317e+00 3.56 -3.041575122e+00 3.58 -2.954422037e+00 3.60 -2.870495781e+00 3.62 -2.789288038e+00 3.64 -2.710311066e+00 3.66 -2.633122271e+00 3.68 -2.557339787e+00 3.70 -2.482650916e+00 3.72 -2.408816326e+00 3.74 -2.335670282e+00 3.76 -2.263118635e+00 3.78 -2.191134410e+00 3.80 -2.119751517e+00 3.82 -2.049056330e+00 3.84 -1.979178292e+00 3.86 -1.910279871e+00 3.88 -1.842547122e+00 3.90 -1.776181570e+00 3.92 -1.711394032e+00 3.94 -1.648400478e+00 3.96 -1.587418722e+00 3.98 -1.528663934e+00 4.00 -1.472341741e+00 4.02 -1.418648959e+00 4.04 -1.367599105e+00 4.06 -1.319565242e+00 4.08 -1.274452140e+00 4.10 -1.232245690e+00 4.12 -1.192869930e+00 4.14 -1.156195122e+00 4.16 -1.122050326e+00 4.18 -1.090237821e+00 4.20 -1.060546913e+00 4.22 -1.032765634e+00 4.24 -1.006689725e+00 4.26 -9.821265927e-01 4.28 -9.588989689e-01 4.30 -9.368565827e-01 4.32 -9.158653640e-01 4.34 -8.958072336e-01 4.36 -8.765796124e-01 4.38 -8.580942715e-01 4.40 -8.402758148e-01 4.42 -8.230599924e-01 4.44 -8.063920895e-01 4.46 -7.902254577e-01 4.48 -7.745201847e-01 4.50 -7.592419821e-01 4.52 -7.443612807e-01 4.54 -7.298524710e-01 4.56 -7.156932749e-01 4.58 -7.018642407e-01 4.60 -6.883483208e-01 4.62 -6.751305043e-01 4.64 -6.621975163e-01 4.66 -6.495375661e-01 4.68 -6.371401243e-01 4.70 -6.249957645e-01 4.72 -6.130322649e-01 4.74 -6.013805248e-01 4.76 -5.899563971e-01 4.78 -5.787537726e-01 4.80 -5.677669634e-01 4.82 -5.569906468e-01 4.84 -5.464198200e-01 4.86 -5.360497611e-01 4.88 -5.258759950e-01 4.90 -5.158942629e-01 4.92 -5.061004990e-01 4.94 -4.964908089e-01 4.96 -4.870614502e-01 4.98 -4.778088174e-01 5.00 -4.687294289e-01 5.02 -4.598199147e-01 5.04 -4.510770059e-01 5.06 -4.424975275e-01 5.08 -4.340783897e-01 5.10 -4.258165814e-01 5.12 -4.177091653e-01 5.14 -4.097532725e-01 5.16 -4.019460978e-01 5.18 -3.942848963e-01 5.20 -3.867669801e-01 5.22 -3.793897145e-01 5.24 -3.721505157e-01 5.26 -3.650468482e-01 5.28 -3.580762224e-01 5.30 -3.512361916e-01 5.32 -3.445243509e-01 5.34 -3.379383344e-01 5.36 -3.314758127e-01 5.38 -3.251344915e-01 5.40 -3.189121085e-01 5.42 -3.128064319e-01 5.44 -3.068152566e-01 5.46 -3.009364028e-01 5.48 -2.951677120e-01 5.50 -2.895070439e-01 5.52 -2.839522732e-01 5.54 -2.785012851e-01 5.56 -2.731519706e-01 5.58 -2.679022221e-01 5.60 -2.627499270e-01 5.62 -2.576929617e-01 5.64 -2.527291845e-01 5.66 -2.478564270e-01 5.68 -2.430724856e-01 5.70 -2.383751113e-01 5.72 -2.337619978e-01 5.74 -2.292307692e-01 5.76 -2.247789656e-01 5.78 -2.204040274e-01 5.80 -2.161032769e-01 5.82 -2.118738999e-01 5.84 -2.077129236e-01 5.86 -2.036171926e-01 5.88 -1.995833434e-01 5.90 -1.956077798e-01 5.92 -1.916866379e-01 5.94 -1.878157530e-01 5.96 -1.839906298e-01 5.98 -1.802064070e-01 6.00 -1.764578209e-01