# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1996--Farkas-D-Jones-C--Nb-Ti-Al # implementation = EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000 # composition = Nb2Ti # 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 2022-05-24 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 nan 1.16 nan 1.18 nan 1.20 nan 1.22 nan 1.24 nan 1.26 nan 1.28 nan 1.30 nan 1.32 nan 1.34 nan 1.36 nan 1.38 nan 1.40 nan 1.42 nan 1.44 nan 1.46 nan 1.48 nan 1.50 nan 1.52 nan 1.54 nan 1.56 nan 1.58 nan 1.60 nan 1.62 nan 1.64 nan 1.66 nan 1.68 nan 1.70 nan 1.72 nan 1.74 nan 1.76 nan 1.78 nan 1.80 nan 1.82 nan 1.84 nan 1.86 nan 1.88 nan 1.90 nan 1.92 9.769097821e+00 1.94 8.338153055e+00 1.96 6.932176506e+00 1.98 5.672752716e+00 2.00 4.520018579e+00 2.02 3.463644313e+00 2.04 2.495356599e+00 2.06 1.609269221e+00 2.08 8.008322396e-01 2.10 6.594778624e-02 2.12 -5.996383316e-01 2.14 -1.200397234e+00 2.16 -1.740574512e+00 2.18 -2.223649355e+00 2.20 -2.652476160e+00 2.22 -3.033656821e+00 2.24 -3.377090152e+00 2.26 -3.684915607e+00 2.28 -3.958407444e+00 2.30 -4.198915603e+00 2.32 -4.407916936e+00 2.34 -4.656909854e+00 2.36 -4.833801195e+00 2.38 -4.983844205e+00 2.40 -5.115148758e+00 2.42 -5.228886217e+00 2.44 -5.326188188e+00 2.46 -5.408386225e+00 2.48 -5.476860018e+00 2.50 -5.532930955e+00 2.52 -5.577717749e+00 2.54 -5.612147638e+00 2.56 -5.637102425e+00 2.58 -5.653425024e+00 2.60 -5.661941489e+00 2.62 -5.663475439e+00 2.64 -5.658890415e+00 2.66 -5.649214061e+00 2.68 -5.635542761e+00 2.70 -5.618956485e+00 2.72 -5.600464578e+00 2.74 -5.580915897e+00 2.76 -5.560938492e+00 2.78 -5.539064172e+00 2.80 -5.514788854e+00 2.82 -5.488314581e+00 2.84 -5.459857215e+00 2.86 -5.429636513e+00 2.88 -5.397913638e+00 2.90 -5.365039877e+00 2.92 -5.331337262e+00 2.94 -5.297115880e+00 2.96 -5.262665408e+00 2.98 -5.228252250e+00 3.00 -5.194105915e+00 3.02 -5.160322726e+00 3.04 -5.126946304e+00 3.06 -5.145274593e+00 3.08 -5.136220497e+00 3.10 -5.123221530e+00 3.12 -5.106373118e+00 3.14 -5.087032118e+00 3.16 -5.065805109e+00 3.18 -5.042694129e+00 3.20 -5.017685801e+00 3.22 -4.990755799e+00 3.24 -4.961866583e+00 3.26 -4.930977517e+00 3.28 -4.898095916e+00 3.30 -4.863259350e+00 3.32 -4.826543376e+00 3.34 -4.788025066e+00 3.36 -4.747787369e+00 3.38 -4.705918925e+00 3.40 -4.662509220e+00 3.42 -4.617643409e+00 3.44 -4.571393958e+00 3.46 -4.523835139e+00 3.48 -4.475047536e+00 3.50 -4.425115797e+00 3.52 -4.374131775e+00 3.54 -4.322195240e+00 3.56 -4.269412417e+00 3.58 -4.215900100e+00 3.60 -4.161779970e+00 3.62 -4.107016812e+00 3.64 -4.051585026e+00 3.66 -3.995645519e+00 3.68 -3.939363777e+00 3.70 -3.882928484e+00 3.72 -3.826535647e+00 3.74 -3.770403735e+00 3.76 -3.714764793e+00 3.78 -3.659871410e+00 3.80 -3.606077236e+00 3.82 -3.553825322e+00 3.84 -3.503580835e+00 3.86 -3.455803824e+00 3.88 -3.410811814e+00 3.90 -3.366333321e+00 3.92 -3.319723089e+00 3.94 -3.270025495e+00 3.96 -3.217592471e+00 3.98 -3.162757024e+00 4.00 -3.105847301e+00 4.02 -3.047229386e+00 4.04 -2.987263667e+00 4.06 -2.926300635e+00 4.08 -2.864555163e+00 4.10 -2.802192797e+00 4.12 -2.739286985e+00 4.14 -2.676062047e+00 4.16 -2.612751094e+00 4.18 -2.549883784e+00 4.20 -2.487886093e+00 4.22 -2.427156981e+00 4.24 -2.368023237e+00 4.26 -2.310011316e+00 4.28 -2.252684294e+00 4.30 -2.195699280e+00 4.32 -2.138158449e+00 4.34 -2.080086446e+00 4.36 -2.022295270e+00 4.38 -1.965356632e+00 4.40 -1.909898068e+00 4.42 -1.857767856e+00 4.44 -1.810436488e+00 4.46 -1.767580595e+00 4.48 -1.729377096e+00 4.50 -1.696184954e+00 4.52 -1.666875303e+00 4.54 -1.638855949e+00 4.56 -1.610206110e+00 4.58 -1.578951663e+00 4.60 -1.544499676e+00 4.62 -1.506734556e+00 4.64 -1.464220884e+00 4.66 -1.415883074e+00 4.68 -1.360969531e+00 4.70 -1.299847246e+00 4.72 -1.234234411e+00 4.74 -1.165616837e+00 4.76 -1.095235585e+00 4.78 -1.024119142e+00 4.80 -9.530749786e-01 4.82 -8.821346234e-01 4.84 -8.120910920e-01 4.86 -7.439108639e-01 4.88 -6.783518297e-01 4.90 -6.159963785e-01 4.92 -5.572800050e-01 4.94 -5.025106722e-01 4.96 -4.517359511e-01 4.98 -4.044832473e-01 5.00 -3.605848419e-01 5.02 -3.198976168e-01 5.04 -2.822729549e-01 5.06 -2.475604969e-01 5.08 -2.156092324e-01 5.10 -1.862692010e-01 5.12 -1.593925703e-01 5.14 -1.348359295e-01 5.16 -1.124581781e-01 5.18 -9.224670891e-02 5.20 -7.409298704e-02 5.22 -5.772905312e-02 5.24 -4.293614823e-02 5.26 -2.953261535e-02 5.28 -1.736833015e-02 5.30 -6.315558408e-03 5.32 3.734276131e-03 5.34 1.287668974e-02 5.36 2.119579973e-02 5.38 2.876878424e-02 5.40 3.566605719e-02 5.42 4.195465528e-02 5.44 4.769767938e-02 5.46 5.295607715e-02 5.48 5.779001847e-02 5.50 6.201036657e-02 5.52 6.529884973e-02 5.54 6.773996052e-02 5.56 6.942260877e-02 5.58 7.043346690e-02 5.60 7.085775767e-02 5.62 7.077778744e-02 5.64 7.027285880e-02 5.66 6.941888531e-02 5.68 6.828706549e-02 5.70 6.694402921e-02 5.72 6.545058729e-02 5.74 6.386190477e-02 5.76 6.222656564e-02 5.78 6.058681716e-02 5.80 5.897808701e-02 5.82 5.742919463e-02 5.84 5.596248639e-02 5.86 3.735889295e-02 5.88 3.181452468e-02 5.90 2.676638937e-02 5.92 2.221284258e-02 5.94 1.814758106e-02 5.96 1.456006914e-02 5.98 1.143590409e-02 6.00 8.757110864e-03