# 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 = Al3Ti # 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 2.265230804e+03 nan nan 1.52 1.392362097e+03 nan nan 1.54 8.123059341e+02 nan nan 1.56 4.431208969e+02 nan nan 1.58 2.213341502e+02 nan nan 1.60 9.923778313e+01 nan nan 1.62 4.085810201e+01 nan nan 1.64 1.934511642e+01 2.120562641e+03 nan 1.66 1.490030387e+01 1.357344241e+03 nan 1.68 1.405454356e+01 8.331550102e+02 2.268823961e+03 1.70 1.321580787e+01 4.856899013e+02 1.469863996e+03 1.72 1.237413706e+01 2.655549494e+02 9.137492520e+02 1.74 1.153424798e+01 1.347576604e+02 5.392397623e+02 1.76 1.070190941e+01 6.392810284e+01 2.979519951e+02 1.78 9.881845069e+00 3.049510875e+01 1.517571602e+02 1.80 9.076797397e+00 1.753798734e+01 7.082326958e+01 1.82 8.291148366e+00 1.413586898e+01 3.203394432e+01 1.84 7.530904301e+00 1.328757584e+01 1.774382110e+01 1.86 6.799094077e+00 1.248804550e+01 1.476107942e+01 1.88 6.093537161e+00 1.169338673e+01 1.399971212e+01 1.90 5.406421706e+00 1.090781438e+01 1.323549212e+01 1.92 4.739126094e+00 1.013439085e+01 1.246714515e+01 1.94 4.092526205e+00 9.376002850e+00 1.169798049e+01 1.96 3.466589963e+00 8.633513071e+00 1.093132549e+01 1.98 2.865970039e+00 7.909734807e+00 1.017003640e+01 2.00 2.294814429e+00 7.208699660e+00 9.417074295e+00 2.02 1.751799843e+00 6.527990056e+00 8.681115488e+00 2.04 1.236700144e+00 5.867724231e+00 7.966256140e+00 2.06 7.517089808e-01 5.228989482e+00 7.274895057e+00 2.08 2.971692236e-01 4.608112896e+00 6.609177439e+00 2.10 -1.270303716e-01 4.004999361e+00 5.966355108e+00 2.12 -5.210363394e-01 3.422553331e+00 5.341232823e+00 2.14 -8.848759766e-01 2.861787796e+00 4.736559614e+00 2.16 -1.218541386e+00 2.322443797e+00 4.153183364e+00 2.18 -1.525669102e+00 1.806485733e+00 3.592017747e+00 2.20 -1.809065697e+00 1.314488025e+00 3.053336385e+00 2.22 -2.069677523e+00 8.461429554e-01 2.537234531e+00 2.24 -2.308542665e+00 4.030230998e-01 2.043571442e+00 2.26 -2.526797723e+00 -1.447587645e-02 1.570876610e+00 2.28 -2.725663696e+00 -4.057552291e-01 1.118690077e+00 2.30 -2.906403284e+00 -7.701396085e-01 6.875721297e-01 2.32 -3.068478751e+00 -1.107922624e+00 2.773419931e-01 2.34 -3.211134395e+00 -1.419987091e+00 -1.123416536e-01 2.36 -3.335063933e+00 -1.706480352e+00 -4.818512947e-01 2.38 -3.441225550e+00 -1.967811549e+00 -8.294938307e-01 2.40 -3.531256069e+00 -2.206710525e+00 -1.154276142e+00 2.42 -3.605926823e+00 -2.424279364e+00 -1.456230906e+00 2.44 -3.665922631e+00 -2.620772018e+00 -1.738423145e+00 2.46 -3.711988376e+00 -2.797024893e+00 -2.002715775e+00 2.48 -3.744988222e+00 -2.953921819e+00 -2.249574749e+00 2.50 -3.765499540e+00 -3.092327966e+00 -2.478821050e+00 2.52 -3.773685677e+00 -3.213255456e+00 -2.689216616e+00 2.54 -3.770333828e+00 -3.318261465e+00 -2.880807678e+00 2.56 -3.756263119e+00 -3.409098482e+00 -3.053836923e+00 2.58 -3.732163810e+00 -3.486629573e+00 -3.208737565e+00 2.60 -3.698827844e+00 -3.551538074e+00 -3.345998560e+00 2.62 -3.657960534e+00 -3.604936940e+00 -3.466086439e+00 2.64 -3.611155808e+00 -3.648451674e+00 -3.569427972e+00 2.66 -3.558875035e+00 -3.682363312e+00 -3.656548614e+00 2.68 -3.501186738e+00 -3.707274686e+00 -3.729267418e+00 2.70 -3.439558556e+00 -3.724060570e+00 -3.788726649e+00 2.72 -3.376613803e+00 -3.733595692e+00 -3.835740822e+00 2.74 -3.312837567e+00 -3.736764631e+00 -3.871138351e+00 2.76 -3.248672422e+00 -3.734255637e+00 -3.895802824e+00 2.78 -3.184540147e+00 -3.725093044e+00 -3.910612425e+00 2.80 -3.120483804e+00 -3.709130531e+00 -3.915626475e+00 2.82 -3.056632142e+00 -3.686661501e+00 -3.911113298e+00 2.84 -2.993272242e+00 -3.658138487e+00 -3.897747201e+00 2.86 -2.930633571e+00 -3.623979362e+00 -3.876172340e+00 2.88 -2.868969663e+00 -3.584563530e+00 -3.846996494e+00 2.90 -2.808550797e+00 -3.540781054e+00 -3.810853258e+00 2.92 -2.749675017e+00 -3.493321607e+00 -3.768926086e+00 2.94 -2.692297505e+00 -3.442288592e+00 -3.722640070e+00 2.96 -2.636052997e+00 -3.389042894e+00 -3.672799478e+00 2.98 -2.580944515e+00 -3.334858696e+00 -3.619664122e+00 3.00 -2.526089256e+00 -3.279973545e+00 -3.563423301e+00 3.02 -2.471412363e+00 -3.224520205e+00 -3.504908451e+00 3.04 -2.416968885e+00 -3.168585560e+00 -3.446698092e+00 3.06 -2.362805178e+00 -3.112238517e+00 -3.388664823e+00 3.08 -2.308960577e+00 -3.055531233e+00 -3.330001479e+00 3.10 -2.255478074e+00 -2.998536550e+00 -3.270949908e+00 3.12 -2.202400439e+00 -2.941369815e+00 -3.211747725e+00 3.14 -2.149762365e+00 -2.884168934e+00 -3.152621321e+00 3.16 -2.097580129e+00 -2.827068487e+00 -3.093789640e+00 3.18 -2.045858370e+00 -2.770193154e+00 -3.035466508e+00 3.20 -1.994592874e+00 -2.713656545e+00 -2.977862800e+00 3.22 -1.943769862e+00 -2.657559362e+00 -2.920954485e+00 3.24 -1.893361312e+00 -2.601970519e+00 -2.864072542e+00 3.26 -1.843635594e+00 -2.546946374e+00 -2.807284571e+00 3.28 -1.794955425e+00 -2.492561428e+00 -2.750726152e+00 3.30 -1.747332670e+00 -2.438903133e+00 -2.694529588e+00 3.32 -1.700762649e+00 -2.386057649e+00 -2.638819597e+00 3.34 -1.655142095e+00 -2.334110816e+00 -2.583697083e+00 3.36 -1.608574837e+00 -2.283147475e+00 -2.529251979e+00 3.38 -1.560989028e+00 -2.233251758e+00 -2.475568534e+00 3.40 -1.512792155e+00 -2.184507511e+00 -2.422680924e+00 3.42 -1.464332179e+00 -2.136655313e+00 -2.370510046e+00 3.44 -1.415902627e+00 -2.089265742e+00 -2.319092538e+00 3.46 -1.367751504e+00 -2.042334671e+00 -2.268464457e+00 3.48 -1.320094710e+00 -1.995853976e+00 -2.218627458e+00 3.50 -1.273111633e+00 -1.949808816e+00 -2.169565107e+00 3.52 -1.226946783e+00 -1.904198700e+00 -2.121250786e+00 3.54 -1.181712802e+00 -1.859131228e+00 -2.073641133e+00 3.56 -1.137493122e+00 -1.814787964e+00 -2.026682187e+00 3.58 -1.094344491e+00 -1.771358834e+00 -1.980325943e+00 3.60 -1.052306863e+00 -1.728836398e+00 -1.934530471e+00 3.62 -1.011424609e+00 -1.687201936e+00 -1.889262739e+00 3.64 -9.717350057e-01 -1.644839271e+00 -1.844560069e+00 3.66 -9.332662956e-01 -1.601506955e+00 -1.800783568e+00 3.68 -8.960390676e-01 -1.557571851e+00 -1.757976862e+00 3.70 -8.600675354e-01 -1.513346110e+00 -1.716130295e+00 3.72 -8.253606773e-01 -1.469093763e+00 -1.675231806e+00 3.74 -7.919232160e-01 -1.425028356e+00 -1.635319029e+00 3.76 -7.597565489e-01 -1.381301281e+00 -1.595295913e+00 3.78 -7.288595766e-01 -1.338022908e+00 -1.554409802e+00 3.80 -6.992294372e-01 -1.295270467e+00 -1.512950151e+00 3.82 -6.708621920e-01 -1.253104407e+00 -1.471177106e+00 3.84 -6.437534701e-01 -1.211596152e+00 -1.429320639e+00 3.86 -6.178908062e-01 -1.170819077e+00 -1.387584431e+00 3.88 -5.932235247e-01 -1.130835978e+00 -1.346149130e+00 3.90 -5.696948322e-01 -1.091699608e+00 -1.305175294e+00 3.92 -5.472143737e-01 -1.053454136e+00 -1.264805964e+00 3.94 -5.254642976e-01 -1.016136509e+00 -1.225114311e+00 3.96 -5.043471766e-01 -9.797776533e-01 -1.185987080e+00 3.98 -4.838428835e-01 -9.444034955e-01 -1.147482875e+00 4.00 -4.639385998e-01 -9.100359763e-01 -1.109670865e+00 4.02 -4.446232465e-01 -8.766946094e-01 -1.072609711e+00 4.04 -4.258882742e-01 -8.443996528e-01 -1.036348706e+00 4.06 -4.077258216e-01 -8.131700585e-01 -1.000928759e+00 4.08 -3.901297239e-01 -7.830231000e-01 -9.663831944e-01 4.10 -3.731001466e-01 -7.539749933e-01 -9.327385401e-01 4.12 -3.566417653e-01 -7.260414598e-01 -9.000151240e-01 4.14 -3.407569728e-01 -6.992382622e-01 -8.682276754e-01 4.16 -3.254542523e-01 -6.735009142e-01 -8.373858066e-01 4.18 -3.107513509e-01 -6.485257136e-01 -8.074944161e-01 4.20 -2.966595383e-01 -6.242769536e-01 -7.785540705e-01 4.22 -2.831907652e-01 -6.007488432e-01 -7.505613418e-01 4.24 -2.703810315e-01 -5.779353361e-01 -7.235090566e-01 4.26 -2.582917774e-01 -5.558303772e-01 -6.973865410e-01 4.28 -2.469762995e-01 -5.344282129e-01 -6.721798403e-01 4.30 -2.362679948e-01 -5.137233832e-01 -6.478717487e-01 4.32 -2.258101614e-01 -4.937001762e-01 -6.244280292e-01 4.34 -2.155845906e-01 -4.743274595e-01 -6.017868113e-01 4.36 -2.056240582e-01 -4.555783979e-01 -5.798841536e-01 4.38 -1.959488540e-01 -4.374252897e-01 -5.586571489e-01 4.40 -1.865769389e-01 -4.198444083e-01 -5.380456849e-01 4.42 -1.775177586e-01 -4.028088413e-01 -5.180059436e-01 4.44 -1.687492311e-01 -3.863137443e-01 -4.985188349e-01 4.46 -1.604068916e-01 -3.703965943e-01 -4.795745701e-01 4.48 -1.526243081e-01 -3.550692800e-01 -4.611617308e-01 4.50 -1.455067554e-01 -3.402953815e-01 -4.432736323e-01 4.52 -1.391367794e-01 -3.260711471e-01 -4.259119125e-01 4.54 -1.335023461e-01 -3.124104558e-01 -4.090716797e-01 4.56 -1.282902330e-01 -2.993082709e-01 -3.927509129e-01 4.58 -1.233184712e-01 -2.866954575e-01 -3.769447411e-01 4.60 -1.185289982e-01 -2.746020957e-01 -3.616403812e-01 4.62 -1.138951196e-01 -2.631561027e-01 -3.468581756e-01 4.64 -1.094160169e-01 -2.523422185e-01 -3.326619706e-01 4.66 -1.051189342e-01 -2.419718965e-01 -3.190898028e-01 4.68 -1.010937567e-01 -2.319216280e-01 -3.061113229e-01 4.70 -9.740063177e-02 -2.221493697e-01 -2.937064830e-01 4.72 -9.406864948e-02 -2.127412489e-01 -2.819025826e-01 4.74 -9.085153973e-02 -2.037933357e-01 -2.707515123e-01 4.76 -8.769844207e-02 -1.953899573e-01 -2.602923928e-01 4.78 -8.463666037e-02 -1.876190277e-01 -2.505713747e-01 4.80 -8.166767658e-02 -1.804750725e-01 -2.415294240e-01 4.82 -7.867166207e-02 -1.734997024e-01 -2.326073272e-01 4.84 -7.563022694e-02 -1.665592598e-01 -2.237600371e-01 4.86 -7.254431106e-02 -1.596727697e-01 -2.150365390e-01 4.88 -6.941571007e-02 -1.528541962e-01 -2.064779836e-01 4.90 -6.624716911e-02 -1.461244493e-01 -1.981189341e-01 4.92 -6.302191864e-02 -1.395233926e-01 -1.899884078e-01 4.94 -5.971388167e-02 -1.330862983e-01 -1.821108401e-01 4.96 -5.634452888e-02 -1.268445149e-01 -1.745073661e-01 4.98 -5.293638133e-02 -1.208087300e-01 -1.671709538e-01 5.00 -4.951172347e-02 -1.149709981e-01 -1.600696151e-01 5.02 -4.609245785e-02 -1.093265907e-01 -1.531792804e-01 5.04 -4.269991355e-02 -1.038739646e-01 -1.464837656e-01 5.06 -3.935463197e-02 -9.861409944e-02 -1.399737196e-01 5.08 -3.607614764e-02 -9.354999255e-02 -1.336457295e-01 5.10 -3.288276566e-02 -8.868628675e-02 -1.275015700e-01 5.12 -2.979136785e-02 -8.402899812e-02 -1.215475557e-01 5.14 -2.681723858e-02 -7.958532674e-02 -1.157939961e-01 5.16 -2.397392971e-02 -7.536352420e-02 -1.102547320e-01 5.18 -2.127316662e-02 -7.138176678e-02 -1.049601982e-01 5.20 -1.872479210e-02 -6.766106018e-02 -9.994657045e-02 5.22 -1.633675965e-02 -6.421146187e-02 -9.523494231e-02 5.24 -1.411516027e-02 -6.104288089e-02 -9.084743090e-02 5.26 -1.206427958e-02 -5.816512111e-02 -8.680721717e-02 5.28 -1.018668079e-02 -5.555466096e-02 -8.308875895e-02 5.30 -8.483299884e-03 -5.305430889e-02 -7.946737810e-02 5.32 -6.953543384e-03 -5.063701224e-02 -7.591512611e-02 5.34 -5.595376383e-03 -4.829542378e-02 -7.243531681e-02 5.36 -4.405392622e-03 -4.602124732e-02 -6.903173786e-02 5.38 -3.378855461e-03 -4.380583782e-02 -6.570875673e-02 5.40 -2.509704608e-03 -4.164761819e-02 -6.247142729e-02 5.42 -1.790523575e-03 -3.955038850e-02 -5.932558276e-02 5.44 -1.212467014e-03 -3.751861856e-02 -5.627792784e-02 5.46 -7.651507626e-04 -3.555741650e-02 -5.333612475e-02 5.48 -4.365094678e-04 -3.367257666e-02 -5.050886500e-02 5.50 -2.126307662e-04 -3.185796699e-02 -4.778695048e-02 5.52 -7.757695871e-05 -3.010546327e-02 -4.515819491e-02 5.54 -1.320767793e-05 -2.843089168e-02 -4.264633752e-02 5.56 0.000000000e+00 -2.684629040e-02 -4.026943559e-02 5.58 0.000000000e+00 -2.527640033e-02 -3.791460050e-02 5.60 0.000000000e+00 -2.369627014e-02 -3.554440520e-02 5.62 0.000000000e+00 -2.211592443e-02 -3.317388664e-02 5.64 0.000000000e+00 -2.054510130e-02 -3.081765196e-02 5.66 0.000000000e+00 -1.899316368e-02 -2.848974551e-02 5.68 0.000000000e+00 -1.746901587e-02 -2.620352380e-02 5.70 0.000000000e+00 -1.598102012e-02 -2.397153018e-02 5.72 0.000000000e+00 -1.453691927e-02 -2.180537891e-02 5.74 0.000000000e+00 -1.314377049e-02 -1.971565573e-02 5.76 0.000000000e+00 -1.180788885e-02 -1.771183328e-02 5.78 0.000000000e+00 -1.053480747e-02 -1.580221120e-02 5.80 0.000000000e+00 -9.329250103e-03 -1.399387516e-02 5.82 0.000000000e+00 -8.195118239e-03 -1.229267736e-02 5.84 0.000000000e+00 -7.135491963e-03 -1.070323794e-02 5.86 0.000000000e+00 -6.152645071e-03 -9.228967606e-03 5.88 0.000000000e+00 -5.248065938e-03 -7.872098907e-03 5.90 0.000000000e+00 -4.422490596e-03 -6.633735894e-03 5.92 0.000000000e+00 -3.675936772e-03 -5.513905159e-03 5.94 0.000000000e+00 -3.007739248e-03 -4.511608871e-03 5.96 0.000000000e+00 -2.416583956e-03 -3.624875933e-03 5.98 0.000000000e+00 -1.900534697e-03 -2.850802046e-03 6.00 0.000000000e+00 -1.457052235e-03 -2.185578352e-03