# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2003--Zope-R-R-Mishin-Y--Ti-Al # implementation = EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005 # composition = AlTi2 # 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 7.177665517e+02 1.36 6.507964588e+02 1.38 5.914965560e+02 1.40 5.389131943e+02 1.42 4.922221815e+02 1.44 4.507107509e+02 1.46 4.121829193e+02 1.48 3.722926509e+02 1.50 3.332956985e+02 1.52 2.972709277e+02 1.54 2.650102369e+02 1.56 2.361373457e+02 1.58 2.102849761e+02 1.60 1.871518400e+02 1.62 1.664827148e+02 1.64 1.480498920e+02 1.66 1.316415791e+02 1.68 1.170553896e+02 1.70 1.040971524e+02 1.72 9.258421219e+01 1.74 8.234932049e+01 1.76 7.324310472e+01 1.78 6.513426426e+01 1.80 5.791026230e+01 1.82 5.147424630e+01 1.84 4.573963006e+01 1.86 4.062692120e+01 1.88 3.606291352e+01 1.90 3.198151790e+01 1.92 2.832467744e+01 1.94 2.504246857e+01 1.96 2.209233338e+01 1.98 1.943770746e+01 2.00 1.704674611e+01 2.02 1.489122263e+01 2.04 1.294576063e+01 2.06 1.118751577e+01 2.08 9.596178454e+00 2.10 8.154052639e+00 2.12 6.846024169e+00 2.14 5.659393987e+00 2.16 4.583493914e+00 2.18 3.609131059e+00 2.20 2.728066289e+00 2.22 1.932663649e+00 2.24 1.215737606e+00 2.26 5.705329853e-01 2.28 -9.266793077e-03 2.30 -5.295705544e-01 2.32 -9.958566501e-01 2.34 -1.413188703e+00 2.36 -1.786201928e+00 2.38 -2.119077695e+00 2.40 -2.415520359e+00 2.42 -2.678765487e+00 2.44 -2.911636411e+00 2.46 -3.116616725e+00 2.48 -3.295930054e+00 2.50 -3.451609535e+00 2.52 -3.585548475e+00 2.54 -3.699532082e+00 2.56 -3.795256757e+00 2.58 -3.874340944e+00 2.60 -3.938334499e+00 2.62 -3.988726987e+00 2.64 -4.026931998e+00 2.66 -4.054278074e+00 2.68 -4.072010039e+00 2.70 -4.081279287e+00 2.72 -4.083120997e+00 2.74 -4.078422256e+00 2.76 -4.067896546e+00 2.78 -4.052075221e+00 2.80 -4.031334898e+00 2.82 -4.005966145e+00 2.84 -3.976266267e+00 2.86 -3.942615694e+00 2.88 -3.905493215e+00 2.90 -3.865456162e+00 2.92 -3.823093776e+00 2.94 -3.778970870e+00 2.96 -3.733578195e+00 2.98 -3.687297940e+00 3.00 -3.640388273e+00 3.02 -3.592984327e+00 3.04 -3.545117668e+00 3.06 -3.496773138e+00 3.08 -3.447934152e+00 3.10 -3.398597691e+00 3.12 -3.348771083e+00 3.14 -3.298475375e+00 3.16 -3.247749039e+00 3.18 -3.196650885e+00 3.20 -3.145260980e+00 3.22 -3.093663200e+00 3.24 -3.041927278e+00 3.26 -2.990111714e+00 3.28 -2.938268540e+00 3.30 -2.886447150e+00 3.32 -2.834697261e+00 3.34 -2.783071013e+00 3.36 -2.731623723e+00 3.38 -2.680414566e+00 3.40 -2.629507611e+00 3.42 -2.578965253e+00 3.44 -2.528839902e+00 3.46 -2.479169064e+00 3.48 -2.429976994e+00 3.50 -2.381275606e+00 3.52 -2.333065798e+00 3.54 -2.285338541e+00 3.56 -2.238076376e+00 3.58 -2.191254430e+00 3.60 -2.144841759e+00 3.62 -2.098802472e+00 3.64 -2.053096881e+00 3.66 -2.007682952e+00 3.68 -1.962517294e+00 3.70 -1.917556866e+00 3.72 -1.872760208e+00 3.74 -1.828089199e+00 3.76 -1.783511087e+00 3.78 -1.738999891e+00 3.80 -1.694539720e+00 3.82 -1.650125718e+00 3.84 -1.605768127e+00 3.86 -1.561493409e+00 3.88 -1.517347058e+00 3.90 -1.473395894e+00 3.92 -1.429727631e+00 3.94 -1.386452290e+00 3.96 -1.343700073e+00 3.98 -1.301617441e+00 4.00 -1.260363703e+00 4.02 -1.220103114e+00 4.04 -1.180996688e+00 4.06 -1.143194636e+00 4.08 -1.106826273e+00 4.10 -1.071991860e+00 4.12 -1.038757630e+00 4.14 -1.007151134e+00 4.16 -9.771605206e-01 4.18 -9.487381578e-01 4.20 -9.218040853e-01 4.22 -8.962503535e-01 4.24 -8.719495845e-01 4.26 -8.487620017e-01 4.28 -8.265388675e-01 4.30 -8.051305706e-01 4.32 -7.843932965e-01 4.34 -7.641901206e-01 4.36 -7.443927923e-01 4.38 -7.248873530e-01 4.40 -7.055733032e-01 4.42 -6.863553213e-01 4.44 -6.671521258e-01 4.46 -6.479005008e-01 4.48 -6.285522119e-01 4.50 -6.090739011e-01 4.52 -5.894522333e-01 4.54 -5.696856813e-01 4.56 -5.497393604e-01 4.58 -5.295756341e-01 4.60 -5.091880370e-01 4.62 -4.886030482e-01 4.64 -4.678840910e-01 4.66 -4.471247042e-01 4.68 -4.264383940e-01 4.70 -4.059515681e-01 4.72 -3.857955098e-01 4.74 -3.660980605e-01 4.76 -3.469758014e-01 4.78 -3.285275667e-01 4.80 -3.108298641e-01 4.82 -2.939344038e-01 4.84 -2.778679771e-01 4.86 -2.626341404e-01 4.88 -2.482164853e-01 4.90 -2.345827953e-01 4.92 -2.216896470e-01 4.94 -2.094869502e-01 4.96 -1.979219572e-01 4.98 -1.869406088e-01 5.00 -1.764972149e-01 5.02 -1.665508640e-01 5.04 -1.570651241e-01 5.06 -1.480107887e-01 5.08 -1.393665745e-01 5.10 -1.311187614e-01 5.12 -1.232603868e-01 5.14 -1.157901744e-01 5.16 -1.087113154e-01 5.18 -1.020301589e-01 5.20 -9.575482128e-02 5.22 -8.989344794e-02 5.24 -8.445116136e-02 5.26 -7.942827159e-02 5.28 -7.481968917e-02 5.30 -7.061462991e-02 5.32 -6.679666111e-02 5.34 -6.334409478e-02 5.36 -6.023072480e-02 5.38 -5.742685263e-02 5.40 -5.490050792e-02 5.42 -5.261876776e-02 5.44 -5.054904747e-02 5.46 -4.866027015e-02 5.48 -4.692382964e-02 5.50 -4.531430060e-02 5.52 -4.380987775e-02 5.54 -4.239255609e-02 5.56 -4.104808345e-02 5.58 -3.976572990e-02 5.60 -3.853792290e-02 5.62 -3.735979436e-02 5.64 -3.622868042e-02 5.66 -3.514360557e-02 5.68 -3.410477390e-02 5.70 -3.311308193e-02 5.72 -3.216966038e-02 5.74 -3.127544702e-02 5.76 -3.043078921e-02 5.78 -2.963507963e-02 5.80 -2.888677475e-02 5.82 -2.818411210e-02 5.84 -2.752533788e-02 5.86 -2.690871170e-02 5.88 -2.633250914e-02 5.90 -2.579502424e-02 5.92 -2.529457176e-02 5.94 -2.482948915e-02 5.96 -2.439813883e-02 5.98 -2.399891001e-02 6.00 -2.363022049e-02