# 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 = Al3Nb # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 nan nan nan 1.22 nan nan nan 1.24 nan nan nan 1.26 nan nan nan 1.28 nan nan nan 1.30 nan nan nan 1.32 nan nan nan 1.34 nan nan nan 1.36 nan nan nan 1.38 nan nan nan 1.40 nan nan nan 1.42 nan nan nan 1.44 nan nan nan 1.46 nan nan nan 1.48 nan nan nan 1.50 nan nan nan 1.52 nan nan nan 1.54 nan nan nan 1.56 nan nan nan 1.58 nan nan nan 1.60 nan nan nan 1.62 1.946385278e+03 nan nan 1.64 1.041934743e+03 nan nan 1.66 5.056254281e+02 nan nan 1.68 2.104222539e+02 nan nan 1.70 6.531459336e+01 nan nan 1.72 7.483995763e+00 nan nan 1.74 -6.651430059e+00 nan nan 1.76 -6.752182015e+00 nan nan 1.78 -5.525768276e+00 1.841365228e+03 nan 1.80 -5.067556251e+00 1.081909325e+03 2.676035789e+03 1.82 -4.700887320e+00 5.989886072e+02 1.596769216e+03 1.84 -4.411705604e+00 3.053456349e+02 8.958250850e+02 1.86 -4.190085355e+00 1.359019034e+02 4.607729307e+02 1.88 -4.023371599e+00 4.686995604e+01 2.076633187e+02 1.90 -3.900498960e+00 7.623339613e+00 7.414403766e+01 1.92 -3.811169195e+00 -4.908730484e+00 1.440174920e+01 1.94 -3.755522125e+00 -6.074021443e+00 -4.726650702e+00 1.96 -3.741275010e+00 -5.627579838e+00 -6.771227741e+00 1.98 -3.761204064e+00 -5.257406814e+00 -6.232099612e+00 2.00 -3.805990182e+00 -4.950708462e+00 -5.781805157e+00 2.02 -3.870371829e+00 -4.698236584e+00 -5.408720169e+00 2.04 -3.949570534e+00 -4.494055073e+00 -5.104306018e+00 2.06 -4.038985668e+00 -4.336108653e+00 -4.861070790e+00 2.08 -3.698986077e+00 -4.217866344e+00 -4.672710307e+00 2.10 -3.808257554e+00 -4.132505324e+00 -4.530668223e+00 2.12 -3.919727723e+00 -4.073687096e+00 -4.424803900e+00 2.14 -4.030691663e+00 -4.039928073e+00 -3.911920080e+00 2.16 -4.138494717e+00 -4.034540203e+00 -3.859562150e+00 2.18 -4.240572856e+00 -4.052245178e+00 -3.832880832e+00 2.20 -4.336143908e+00 -4.088764827e+00 -3.831404315e+00 2.22 -4.428341870e+00 -4.141357354e+00 -3.851577052e+00 2.24 -4.516249060e+00 -4.207312035e+00 -3.890121747e+00 2.26 -4.598747022e+00 -4.283346139e+00 -3.943891092e+00 2.28 -4.674581294e+00 -4.367329128e+00 -4.009398530e+00 2.30 -4.743000241e+00 -4.456441138e+00 -4.083798524e+00 2.32 -4.803462394e+00 -4.548129517e+00 -4.165930397e+00 2.34 -4.855569762e+00 -4.641286954e+00 -4.253468998e+00 2.36 -4.899051083e+00 -4.734058471e+00 -4.344184909e+00 2.38 -4.933568132e+00 -4.678307025e+00 -4.435964709e+00 2.40 -4.959714810e+00 -4.766367514e+00 -4.526779047e+00 2.42 -4.978766064e+00 -4.849332799e+00 -4.614613428e+00 2.44 -4.991073263e+00 -4.928251180e+00 -4.697610518e+00 2.46 -4.997072653e+00 -5.002510265e+00 -4.775992158e+00 2.48 -4.997274564e+00 -5.111971244e+00 -4.852227909e+00 2.50 -4.991941642e+00 -4.700849607e+00 -4.924937952e+00 2.52 -4.980883792e+00 -4.762178933e+00 -4.992009837e+00 2.54 -4.964490129e+00 -4.815458128e+00 -5.052679229e+00 2.56 -4.943200967e+00 -4.860872854e+00 -5.106823420e+00 2.58 -4.917356621e+00 -4.898644077e+00 -5.154983089e+00 2.60 -4.887198430e+00 -4.928778851e+00 -5.196881737e+00 2.62 -4.852343481e+00 -4.951313088e+00 -5.232418216e+00 2.64 -4.593488348e+00 -4.966961715e+00 -5.261547834e+00 2.66 -4.551342438e+00 -4.976735435e+00 -5.284196951e+00 2.68 -4.503400949e+00 -4.980947044e+00 -5.300985727e+00 2.70 -4.450052257e+00 -4.979937820e+00 -5.313298703e+00 2.72 -4.394120184e+00 -4.974074252e+00 -5.321425506e+00 2.74 -4.336309918e+00 -4.963739661e+00 -5.325673254e+00 2.76 -4.276919981e+00 -4.949288625e+00 -4.891377589e+00 2.78 -4.216236603e+00 -4.930231753e+00 -4.892726926e+00 2.80 -4.154169884e+00 -4.906214028e+00 -4.888808264e+00 2.82 -4.090719646e+00 -4.877295523e+00 -4.879418131e+00 2.84 -4.026091968e+00 -4.843713487e+00 -4.864778158e+00 2.86 -3.960480606e+00 -4.805688077e+00 -4.845096669e+00 2.88 -3.894074220e+00 -4.763422953e+00 -4.820569390e+00 2.90 -3.827055266e+00 -4.717102183e+00 -4.791369127e+00 2.92 -3.759602577e+00 -4.666775582e+00 -4.757647336e+00 2.94 -3.691893032e+00 -4.612123390e+00 -4.719525723e+00 2.96 -3.624104095e+00 -4.553151386e+00 -4.677093842e+00 2.98 -3.556211571e+00 -4.491437573e+00 -4.630401630e+00 3.00 -3.487310763e+00 -4.427524501e+00 -4.579450465e+00 3.02 -3.417307355e+00 -4.361579634e+00 -4.524313966e+00 3.04 -3.346242980e+00 -4.294264538e+00 -4.467129097e+00 3.06 -3.274149365e+00 -4.226184731e+00 -4.408875770e+00 3.08 -3.201053645e+00 -4.157471436e+00 -4.349796881e+00 3.10 -3.126973636e+00 -4.088247713e+00 -4.290135325e+00 3.12 -3.051934810e+00 -4.018626189e+00 -4.230128760e+00 3.14 -2.976967548e+00 -3.948600340e+00 -4.170013568e+00 3.16 -2.902868763e+00 -3.878196733e+00 -4.110029031e+00 3.18 -2.829631534e+00 -3.807505930e+00 -4.050411844e+00 3.20 -2.757248913e+00 -3.736613357e+00 -3.991073772e+00 3.22 -2.685707546e+00 -3.665600136e+00 -3.931548243e+00 3.24 -2.614716887e+00 -3.594543122e+00 -3.871103087e+00 3.26 -2.543979993e+00 -3.523514649e+00 -3.809743661e+00 3.28 -2.473464311e+00 -3.452584888e+00 -3.747541069e+00 3.30 -2.403526857e+00 -3.381820652e+00 -3.684557790e+00 3.32 -2.334397142e+00 -3.311287853e+00 -3.620855410e+00 3.34 -2.266100744e+00 -3.241049683e+00 -3.556486712e+00 3.36 -2.198659826e+00 -3.171168083e+00 -3.491503684e+00 3.38 -2.132098943e+00 -3.101705564e+00 -3.425952328e+00 3.40 -2.066440501e+00 -3.032723349e+00 -3.359832598e+00 3.42 -2.001706635e+00 -2.963943380e+00 -3.293036135e+00 3.44 -1.937920523e+00 -2.894928359e+00 -3.225570179e+00 3.46 -1.875103741e+00 -2.825663113e+00 -3.157444877e+00 3.48 -1.813277112e+00 -2.756125095e+00 -3.088664709e+00 3.50 -1.752463413e+00 -2.686519479e+00 -3.019578684e+00 3.52 -1.692684687e+00 -2.617702057e+00 -2.951229454e+00 3.54 -1.633962725e+00 -2.549827041e+00 -2.883694607e+00 3.56 -1.576319114e+00 -2.482896443e+00 -2.816974085e+00 3.58 -1.519776420e+00 -2.416907064e+00 -2.751061513e+00 3.60 -1.464356217e+00 -2.352001967e+00 -2.685948701e+00 3.62 -1.410079025e+00 -2.288208465e+00 -2.621408739e+00 3.64 -1.356978035e+00 -2.225394730e+00 -2.557211433e+00 3.66 -1.305068081e+00 -2.163589292e+00 -2.493331400e+00 3.68 -1.254341390e+00 -2.102818765e+00 -2.429800580e+00 3.70 -1.204887521e+00 -2.043109710e+00 -2.366979481e+00 3.72 -1.156801773e+00 -1.984491342e+00 -2.304945642e+00 3.74 -1.109866796e+00 -1.926990703e+00 -2.243720173e+00 3.76 -1.063924600e+00 -1.870636351e+00 -2.183325336e+00 3.78 -1.019618642e+00 -1.815456967e+00 -2.123783783e+00 3.80 -9.778099466e-01 -1.761482974e+00 -2.065119269e+00 3.82 -9.373640610e-01 -1.708743952e+00 -2.007354947e+00 3.84 -8.956408942e-01 -1.657271640e+00 -1.950516624e+00 3.86 -8.530228800e-01 -1.607098212e+00 -1.894630219e+00 3.88 -8.144922248e-01 -1.558256354e+00 -1.839721484e+00 3.90 -7.852520945e-01 -1.510775394e+00 -1.785819299e+00 3.92 -7.653829099e-01 -1.464401195e+00 -1.732953519e+00 3.94 -7.415635661e-01 -1.418991413e+00 -1.681100350e+00 3.96 -7.024988534e-01 -1.374564358e+00 -1.630064817e+00 3.98 -6.395217140e-01 -1.331112169e+00 -1.579836303e+00 4.00 -5.640817969e-01 -1.288654238e+00 -1.530427051e+00 4.02 -4.875873520e-01 -1.247291949e+00 -1.481849449e+00 4.04 -4.239216406e-01 -1.207051621e+00 -1.434112237e+00 4.06 -3.782663315e-01 -1.167760216e+00 -1.387232591e+00 4.08 -3.501196617e-01 -1.129333824e+00 -1.341228108e+00 4.10 -3.385380018e-01 -1.092128790e+00 -1.296085792e+00 4.12 -3.377996750e-01 -9.470908594e-01 -1.251811525e+00 4.14 -3.411277147e-01 -9.144176464e-01 -1.208489710e+00 4.16 -3.463765088e-01 -8.823918890e-01 -1.166155859e+00 4.18 -3.532294790e-01 -8.493720272e-01 -1.124618712e+00 4.20 -3.588371185e-01 -8.152930388e-01 -1.083737736e+00 4.22 -3.617522174e-01 -7.814336975e-01 -1.043897873e+00 4.24 -3.614644386e-01 -7.510852022e-01 -1.005789546e+00 4.26 -1.392674471e-01 -7.258178385e-01 -9.692164644e-01 4.28 -1.345288159e-01 -7.063837409e-01 -9.325750353e-01 4.30 -1.276678314e-01 -6.887155207e-01 -8.941647335e-01 4.32 -1.207533682e-01 -6.663116513e-01 -8.555334839e-01 4.34 -1.138728924e-01 -6.351796742e-01 -8.211270562e-01 4.36 -1.070623836e-01 -5.900175914e-01 -7.939223401e-01 4.38 -1.003583776e-01 -5.337472071e-01 -7.744783827e-01 4.40 -9.379199573e-02 -4.736660670e-01 -7.529482300e-01 4.42 -8.730257879e-02 -4.132824551e-01 -7.209701242e-01 4.44 -8.095179904e-02 -3.570443711e-01 -6.698818956e-01 4.46 -7.483916266e-02 -3.099393535e-01 -6.045265476e-01 4.48 -6.904720851e-02 -2.729125179e-01 -5.350516222e-01 4.50 -6.364437953e-02 -2.461387158e-01 -4.678775172e-01 4.52 -5.868754841e-02 -2.287198622e-01 -4.121271240e-01 4.54 -5.421678523e-02 -2.189567393e-01 -3.698347158e-01 4.56 -5.006972693e-02 -2.139055724e-01 -3.407013269e-01 4.58 -4.617599035e-02 -2.111454112e-01 -3.242567690e-01 4.60 -4.254588518e-02 -2.091236011e-01 -3.169772238e-01 4.62 -3.918545852e-02 -2.086809845e-01 -3.134566332e-01 4.64 -3.609762607e-02 -2.093926102e-01 -3.111088226e-01 4.66 -3.328318030e-02 -2.103486006e-01 -3.113159054e-01 4.68 -3.074169397e-02 -2.109900535e-01 -3.125972891e-01 4.70 -2.847233422e-02 -2.110182808e-01 -3.135483093e-01 4.72 -2.647459892e-02 -2.103154483e-01 -3.134698736e-01 4.74 -2.474898354e-02 -2.088756770e-01 -3.121222200e-01 4.76 -2.329758237e-02 -6.074093738e-02 -9.050874747e-02 4.78 -2.212462302e-02 -5.896723527e-02 -8.822914566e-02 4.80 -2.119631419e-02 -5.654159283e-02 -8.478525677e-02 4.82 -2.030685077e-02 -5.415160206e-02 -8.122740309e-02 4.84 -1.942687148e-02 -5.180499061e-02 -7.770748592e-02 4.86 -1.855698736e-02 -4.948529963e-02 -7.422794945e-02 4.88 -1.769780566e-02 -4.719414843e-02 -7.079122265e-02 4.90 -1.684993133e-02 -4.493315022e-02 -6.739972533e-02 4.92 -1.601396866e-02 -4.270391642e-02 -6.405587463e-02 4.94 -1.519052295e-02 -4.050806119e-02 -6.076209178e-02 4.96 -1.438020235e-02 -3.834720628e-02 -5.752080942e-02 4.98 -1.358361978e-02 -3.622298609e-02 -5.433447913e-02 5.00 -1.280139488e-02 -3.413705301e-02 -5.120557952e-02 5.02 -1.203415617e-02 -3.209108311e-02 -4.813662466e-02 5.04 -1.128254325e-02 -3.008678200e-02 -4.513017300e-02 5.06 -1.054720917e-02 -2.812589112e-02 -4.218883668e-02 5.08 -9.828822861e-03 -2.621019430e-02 -3.931529144e-02 5.10 -9.128071722e-03 -2.434152459e-02 -3.651228689e-02 5.12 -8.445664345e-03 -2.252177159e-02 -3.378265738e-02 5.14 -7.782333355e-03 -2.075288895e-02 -3.112933342e-02 5.16 -7.138838407e-03 -1.903690242e-02 -2.855535363e-02 5.18 -6.515969330e-03 -1.737591821e-02 -2.606387732e-02 5.20 -5.914549419e-03 -1.577213178e-02 -2.365819768e-02 5.22 -5.335438910e-03 -1.422783709e-02 -2.134175564e-02 5.24 -4.779538611e-03 -1.274543630e-02 -1.911815444e-02 5.26 -4.247793726e-03 -1.132744994e-02 -1.699117490e-02 5.28 -3.741197870e-03 -9.976527654e-03 -1.496479148e-02 5.30 -3.260797288e-03 -8.695459433e-03 -1.304318915e-02 5.32 -2.807695278e-03 -7.487187408e-03 -1.123078111e-02 5.34 -2.383056857e-03 -6.354818285e-03 -9.532227427e-03 5.36 -1.988113646e-03 -5.301636390e-03 -7.952454585e-03 5.38 -1.624169020e-03 -4.331117386e-03 -6.496676079e-03 5.40 -1.292603509e-03 -3.446942690e-03 -5.170414035e-03 5.42 -9.948804878e-04 -2.653014634e-03 -3.979521951e-03 5.44 -7.325521541e-04 -1.953472411e-03 -2.930208616e-03 5.46 -5.072658141e-04 -1.352708838e-03 -2.029063256e-03 5.48 -3.207704973e-04 -8.553879927e-04 -1.283081989e-03 5.50 -1.749239127e-04 -4.664637671e-04 -6.996956507e-04 5.52 -7.169976733e-05 -1.911993795e-04 -2.867990693e-04 5.54 -1.319546599e-05 -3.518790932e-05 -5.278186397e-05 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 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