# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2002--Mishin-Y-Mehl-M-J-Papaconstantopoulos-D-A--Ni-Al # implementation = 2002--Mishin-Y--Ni-Al--LAMMPS--ipr1 # composition = AlNi3 # 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 7.079989884e+02 nan nan 0.94 6.484489582e+02 nan nan 0.96 5.945842822e+02 nan nan 0.98 5.458203833e+02 nan nan 1.00 5.012756424e+02 nan nan 1.02 4.603943434e+02 nan nan 1.04 4.227835988e+02 6.126105666e+02 6.949507300e+02 1.06 3.880661460e+02 5.658299760e+02 6.427434363e+02 1.08 3.560108931e+02 5.227895967e+02 5.946917463e+02 1.10 3.265222955e+02 4.831490578e+02 5.506090547e+02 1.12 2.994738027e+02 4.465555769e+02 5.100980993e+02 1.14 2.746986721e+02 4.127730301e+02 4.727238194e+02 1.16 2.519986902e+02 3.816363813e+02 4.380865728e+02 1.18 2.311139768e+02 3.529280648e+02 4.058815937e+02 1.20 2.117503626e+02 3.263593515e+02 3.759205558e+02 1.22 1.936830324e+02 3.016280112e+02 3.480575521e+02 1.24 1.767943713e+02 2.784972498e+02 3.221353940e+02 1.26 1.610779082e+02 2.568513565e+02 2.980125691e+02 1.28 1.465943104e+02 2.366874868e+02 2.755859520e+02 1.30 1.333561795e+02 2.180353629e+02 2.547669664e+02 1.32 1.212523807e+02 2.008645160e+02 2.354621329e+02 1.34 1.101146136e+02 1.850459339e+02 2.175766916e+02 1.36 9.981934203e+01 1.704234500e+02 2.010022269e+02 1.38 9.028515618e+01 1.568644563e+02 1.856102550e+02 1.40 8.144242193e+01 1.442499845e+02 1.712789779e+02 1.42 7.323293247e+01 1.324707486e+02 1.579181266e+02 1.44 6.561326441e+01 1.214374638e+02 1.454654158e+02 1.46 5.853725854e+01 1.110928247e+02 1.338581364e+02 1.48 5.194387644e+01 1.014011716e+02 1.230136267e+02 1.50 4.577333539e+01 9.232817848e+01 1.128372678e+02 1.52 3.998490983e+01 8.384024924e+01 1.032580673e+02 1.54 3.455437620e+01 7.591294795e+01 9.424714037e+01 1.56 2.945846688e+01 6.851949943e+01 8.580439690e+01 1.58 2.467771205e+01 6.161560592e+01 7.792105290e+01 1.60 2.037765088e+01 5.515534278e+01 7.056612551e+01 1.62 1.677901441e+01 4.911476813e+01 6.370550873e+01 1.64 1.376963322e+01 4.348798932e+01 5.730761341e+01 1.66 1.125206626e+01 3.826119019e+01 5.133132669e+01 1.68 9.143428755e+00 3.339711688e+01 4.572739466e+01 1.70 7.366614490e+00 2.885146653e+01 4.044883106e+01 1.72 5.850301252e+00 2.460216555e+01 3.545950225e+01 1.74 4.537385519e+00 2.078188700e+01 3.074018864e+01 1.76 3.389309836e+00 1.751820254e+01 2.628961119e+01 1.78 2.381793910e+00 1.470492893e+01 2.227615052e+01 1.80 1.498082715e+00 1.226233430e+01 1.889228745e+01 1.82 7.229414277e-01 1.013523216e+01 1.600599927e+01 1.84 4.156051979e-02 8.284906767e+00 1.351379241e+01 1.86 -5.590078429e-01 6.681745973e+00 1.134846799e+01 1.88 -1.089479735e+00 5.299600498e+00 9.464892177e+00 1.90 -1.558644174e+00 4.111992141e+00 7.825040007e+00 1.92 -1.973675567e+00 3.091284432e+00 6.391907913e+00 1.94 -2.340817856e+00 2.209690680e+00 5.131326297e+00 1.96 -2.666225788e+00 1.439948453e+00 4.014177201e+00 1.98 -2.955646773e+00 7.562973832e-01 3.016647319e+00 2.00 -3.214064925e+00 1.373366142e-01 2.119961014e+00 2.02 -3.445238625e+00 -4.309861759e-01 1.310140078e+00 2.04 -3.651345469e+00 -9.552374746e-01 5.775629031e-01 2.06 -3.833258191e+00 -1.437059307e+00 -8.355930058e-02 2.08 -3.990940233e+00 -1.876329005e+00 -6.763270393e-01 2.10 -4.124158218e+00 -2.273075271e+00 -1.202790696e+00 2.12 -4.233478624e+00 -2.628134158e+00 -1.665872982e+00 2.14 -4.320636910e+00 -2.942868069e+00 -2.070673308e+00 2.16 -4.388035081e+00 -3.218696313e+00 -2.424227079e+00 2.18 -4.438223370e+00 -3.457563624e+00 -2.734149534e+00 2.20 -4.473545324e+00 -3.662294708e+00 -3.007195409e+00 2.22 -4.495710423e+00 -3.836474218e+00 -3.248639874e+00 2.24 -4.505749970e+00 -3.984028487e+00 -3.462470497e+00 2.26 -4.504420277e+00 -4.108728952e+00 -3.651886890e+00 2.28 -4.492363893e+00 -4.213751695e+00 -3.819690405e+00 2.30 -4.470152929e+00 -4.301462225e+00 -3.968334740e+00 2.32 -4.438364958e+00 -4.373517105e+00 -4.099682851e+00 2.34 -4.397691518e+00 -4.431127978e+00 -4.214872705e+00 2.36 -4.349043510e+00 -4.475308201e+00 -4.314435069e+00 2.38 -4.293581899e+00 -4.507104820e+00 -4.398568301e+00 2.40 -4.232616297e+00 -4.527720326e+00 -4.467387500e+00 2.42 -4.167410747e+00 -4.538452229e+00 -4.521097494e+00 2.44 -4.099032461e+00 -4.540574057e+00 -4.560140313e+00 2.46 -4.028343254e+00 -4.535185056e+00 -4.585324484e+00 2.48 -3.956093761e+00 -4.523103858e+00 -4.597865502e+00 2.50 -3.882998177e+00 -4.504866980e+00 -4.599399792e+00 2.52 -3.809709222e+00 -4.480812717e+00 -4.591829148e+00 2.54 -3.736720369e+00 -4.451185410e+00 -4.576976415e+00 2.56 -3.664290464e+00 -4.416212468e+00 -4.556239009e+00 2.58 -3.592395795e+00 -4.376144967e+00 -4.530436596e+00 2.60 -3.520781456e+00 -4.331268029e+00 -4.499888850e+00 2.62 -3.449102009e+00 -4.281850610e+00 -4.464613584e+00 2.64 -3.377027313e+00 -4.228100436e+00 -4.424523544e+00 2.66 -3.304307743e+00 -4.170164248e+00 -4.379569487e+00 2.68 -3.230811835e+00 -4.108138231e+00 -4.329832564e+00 2.70 -3.156499750e+00 -4.042089208e+00 -4.275517698e+00 2.72 -3.081377787e+00 -3.972089054e+00 -4.216909258e+00 2.74 -3.005526869e+00 -3.898259699e+00 -4.154427305e+00 2.76 -2.929132735e+00 -3.820816939e+00 -4.088689651e+00 2.78 -2.852482854e+00 -3.740093419e+00 -4.020525522e+00 2.80 -2.775910189e+00 -3.656526428e+00 -3.950902272e+00 2.82 -2.699691169e+00 -3.570622782e+00 -3.880764729e+00 2.84 -2.623942940e+00 -3.482944561e+00 -3.810847082e+00 2.86 -2.548579547e+00 -3.394156887e+00 -3.741547397e+00 2.88 -2.473359104e+00 -3.305123196e+00 -3.672918325e+00 2.90 -2.398006711e+00 -3.216963576e+00 -3.604755819e+00 2.92 -2.322367472e+00 -3.130978119e+00 -3.536724410e+00 2.94 -2.246539360e+00 -3.048412980e+00 -3.468465271e+00 2.96 -2.170942814e+00 -2.970165745e+00 -3.399665947e+00 2.98 -2.096296972e+00 -2.896587687e+00 -3.330096832e+00 3.00 -2.023494461e+00 -2.827477697e+00 -3.259618665e+00 3.02 -1.953383458e+00 -2.762215630e+00 -3.188115700e+00 3.04 -1.886583963e+00 -2.699976239e+00 -3.115447728e+00 3.06 -1.823420487e+00 -2.639938813e+00 -3.041460831e+00 3.08 -1.763948755e+00 -2.581420864e+00 -2.966012847e+00 3.10 -1.708030327e+00 -2.523939210e+00 -2.889014372e+00 3.12 -1.655405715e+00 -2.467224311e+00 -2.810487596e+00 3.14 -1.605748734e+00 -2.411169070e+00 -2.730639724e+00 3.16 -1.558714706e+00 -2.355691913e+00 -2.649937201e+00 3.18 -1.513997203e+00 -2.300694809e+00 -2.569153006e+00 3.20 -1.471386413e+00 -2.246063024e+00 -2.489349572e+00 3.22 -1.430758651e+00 -2.191667069e+00 -2.411767620e+00 3.24 -1.392017741e+00 -2.137367638e+00 -2.337625684e+00 3.26 -1.355078875e+00 -2.083025163e+00 -2.267885376e+00 3.28 -1.319851742e+00 -2.028515896e+00 -2.203069336e+00 3.30 -1.286229580e+00 -1.973756117e+00 -2.143201456e+00 3.32 -1.254091444e+00 -1.918734636e+00 -2.087879500e+00 3.34 -1.223303718e+00 -1.863550445e+00 -2.036431996e+00 3.36 -1.193724016e+00 -1.808447118e+00 -1.988090876e+00 3.38 -1.165218693e+00 -1.753829766e+00 -1.942129536e+00 3.40 -1.137674911e+00 -1.700247893e+00 -1.897948187e+00 3.42 -1.111005699e+00 -1.648333618e+00 -1.855112895e+00 3.44 -1.085150629e+00 -1.598701341e+00 -1.813364591e+00 3.46 -1.060073007e+00 -1.551835665e+00 -1.772603062e+00 3.48 -1.035746731e+00 -1.508005468e+00 -1.732796442e+00 3.50 -1.012146837e+00 -1.467233140e+00 -1.693914905e+00 3.52 -9.892489148e-01 -1.429323518e+00 -1.655926377e+00 3.54 -9.670291189e-01 -1.393933257e+00 -1.618796340e+00 3.56 -9.454641670e-01 -1.360651904e+00 -1.582487581e+00 3.58 -9.245313387e-01 -1.329071720e+00 -1.546959912e+00 3.60 -9.042084708e-01 -1.298835846e+00 -1.512169860e+00 3.62 -8.844739519e-01 -1.269665261e+00 -1.478070360e+00 3.64 -8.653067109e-01 -1.241370475e+00 -1.444610489e+00 3.66 -8.466862056e-01 -1.213853913e+00 -1.411735302e+00 3.68 -8.285924079e-01 -1.187082844e+00 -1.379385893e+00 3.70 -8.110057848e-01 -1.161035974e+00 -1.347499809e+00 3.72 -7.939072803e-01 -1.135692367e+00 -1.316012055e+00 3.74 -7.772782926e-01 -1.111031428e+00 -1.284856969e+00 3.76 -7.611006480e-01 -1.087032909e+00 -1.253971303e+00 3.78 -7.453565713e-01 -1.063676921e+00 -1.223298880e+00 3.80 -7.300286575e-01 -1.040943937e+00 -1.192797106e+00 3.82 -7.150998326e-01 -1.018814797e+00 -1.162445321e+00 3.84 -7.005533175e-01 -9.972707062e-01 -1.132254476e+00 3.86 -6.863725834e-01 -9.762932346e-01 -1.102276742e+00 3.88 -6.725413029e-01 -9.558643118e-01 -1.072612648e+00 3.90 -6.590432964e-01 -9.359662212e-01 -1.043412544e+00 3.92 -6.458624718e-01 -9.165815919e-01 -1.014869214e+00 3.94 -6.329827552e-01 -8.976933858e-01 -9.872000183e-01 3.96 -6.203880172e-01 -8.792848876e-01 -9.606200529e-01 3.98 -6.080619853e-01 -8.613396866e-01 -9.353115487e-01 4.00 -5.959881495e-01 -8.438416614e-01 -9.113971386e-01 4.02 -5.841496536e-01 -8.267749579e-01 -8.889241047e-01 4.04 -5.725291754e-01 -8.101239666e-01 -8.678631407e-01 4.06 -5.611087912e-01 -7.938732970e-01 -8.481203462e-01 4.08 -5.498698271e-01 -7.780077494e-01 -8.295575028e-01 4.10 -5.387926961e-01 -7.625122801e-01 -8.120145806e-01 4.12 -5.278567188e-01 -7.473719670e-01 -7.953296711e-01 4.14 -5.170399369e-01 -7.325719690e-01 -7.793538210e-01 4.16 -5.063189186e-01 -7.180974778e-01 -7.639604007e-01 4.18 -4.956685699e-01 -7.039336728e-01 -7.490499783e-01 4.20 -4.850619616e-01 -6.900656588e-01 -7.345521508e-01 4.22 -4.744702018e-01 -6.764784089e-01 -7.204256578e-01 4.24 -4.638623795e-01 -6.631566923e-01 -7.066525192e-01 4.26 -4.532056295e-01 -6.500849989e-01 -6.932208949e-01 4.28 -4.424653851e-01 -6.372474566e-01 -6.801193486e-01 4.30 -4.316058932e-01 -6.246277379e-01 -6.673367481e-01 4.32 -4.205911002e-01 -6.122089633e-01 -6.548622605e-01 4.34 -4.093860185e-01 -5.999735950e-01 -6.426853408e-01 4.36 -3.979586868e-01 -5.879033276e-01 -6.307957184e-01 4.38 -3.862828085e-01 -5.759789773e-01 -6.191833887e-01 4.40 -3.743410740e-01 -5.641803737e-01 -6.078385976e-01 4.42 -3.621290366e-01 -5.524862636e-01 -5.967518315e-01 4.44 -3.496591977e-01 -5.408742366e-01 -5.859138025e-01 4.46 -3.369646871e-01 -5.293206898e-01 -5.753154361e-01 4.48 -3.241016531e-01 -5.178008522e-01 -5.649478556e-01 4.50 -3.111493173e-01 -5.062889009e-01 -5.548023673e-01 4.52 -2.982067378e-01 -4.947582078e-01 -5.448704455e-01 4.54 -2.853857941e-01 -4.831817684e-01 -5.351437155e-01 4.56 -2.728007526e-01 -4.715328729e-01 -5.256139357e-01 4.58 -2.605557942e-01 -4.597860911e-01 -5.162729791e-01 4.60 -2.487327191e-01 -4.479186448e-01 -5.071128147e-01 4.62 -2.373812867e-01 -4.359122284e-01 -4.981254845e-01 4.64 -2.265141167e-01 -4.237553159e-01 -4.893030829e-01 4.66 -2.161069434e-01 -4.114459197e-01 -4.806377305e-01 4.68 -2.061037283e-01 -3.989946784e-01 -4.721215500e-01 4.70 -1.964251834e-01 -3.864279897e-01 -4.637466370e-01 4.72 -1.869788995e-01 -3.737907386e-01 -4.555050288e-01 4.74 -1.776694987e-01 -3.611479846e-01 -4.473886730e-01 4.76 -1.684077651e-01 -3.485848595e-01 -4.393893886e-01 4.78 -1.591183115e-01 -3.362039762e-01 -4.314988298e-01 4.80 -1.497457853e-01 -3.241199101e-01 -4.237084402e-01 4.82 -1.402598340e-01 -3.124508606e-01 -4.160094068e-01 4.84 -1.306590495e-01 -3.013083045e-01 -4.083926078e-01 4.86 -1.209739495e-01 -2.907861389e-01 -4.008485566e-01 4.88 -1.112683804e-01 -2.809511895e-01 -3.933673398e-01 4.90 -1.016338375e-01 -2.718368414e-01 -3.859385495e-01 4.92 -9.218056757e-02 -2.634408952e-01 -3.785512100e-01 4.94 -8.303227202e-02 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