# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Ni-Al # implementation = 2025--Sharifi-H--Fe-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 2025-07-01 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 7.007476986e+02 nan nan 0.92 6.353476072e+02 nan nan 0.94 5.757310344e+02 nan nan 0.96 5.214733088e+02 nan nan 0.98 4.721667634e+02 6.832829529e+02 nan 1.00 4.274222536e+02 6.260141336e+02 nan 1.02 3.868607318e+02 5.737157543e+02 6.494427535e+02 1.04 3.499712616e+02 5.255442065e+02 5.986045696e+02 1.06 3.163990756e+02 4.810433588e+02 5.513261000e+02 1.08 2.858765998e+02 4.399611774e+02 5.073763669e+02 1.10 2.581539485e+02 4.020646662e+02 4.665446004e+02 1.12 2.329978824e+02 3.671372857e+02 4.286370128e+02 1.14 2.101909466e+02 3.349768584e+02 3.934740906e+02 1.16 1.895307074e+02 3.053938527e+02 3.608883063e+02 1.18 1.708290509e+02 2.782100150e+02 3.307222571e+02 1.20 1.539115243e+02 2.532572979e+02 3.028271954e+02 1.22 1.386167010e+02 2.303770337e+02 2.770619039e+02 1.24 1.247955571e+02 2.094193042e+02 2.532918636e+02 1.26 1.123108491e+02 1.902424573e+02 2.313886588e+02 1.28 1.010364919e+02 1.727127328e+02 2.112295686e+02 1.30 9.085693339e+01 1.567039675e+02 1.926972989e+02 1.32 8.166652889e+01 1.420973476e+02 1.756798172e+02 1.34 7.336892260e+01 1.287811891e+02 1.600702545e+02 1.36 6.587643483e+01 1.166507325e+02 1.457668528e+02 1.38 5.910945738e+01 1.056079381e+02 1.326729311e+02 1.40 5.299585803e+01 9.556127766e+01 1.206968598e+02 1.42 4.747041480e+01 8.642551568e+01 1.097520289e+02 1.44 4.247427411e+01 7.812147855e+01 9.975680008e+01 1.46 3.795442623e+01 7.057581155e+01 9.063443371e+01 1.48 3.386320675e+01 6.372072496e+01 8.231300451e+01 1.50 3.015782774e+01 5.749373188e+01 7.472530065e+01 1.52 2.679993677e+01 5.183737794e+01 6.780870034e+01 1.54 2.375520539e+01 4.669896379e+01 6.150502729e+01 1.56 2.099294631e+01 4.203025685e+01 5.576038882e+01 1.58 1.848575963e+01 3.778722439e+01 5.052499988e+01 1.60 1.620919454e+01 3.392976499e+01 4.575299391e+01 1.62 1.414144440e+01 3.042143782e+01 4.140222575e+01 1.64 1.226309647e+01 2.722919872e+01 3.743406837e+01 1.66 1.055683105e+01 2.432314450e+01 3.381320576e+01 1.68 9.007028207e+00 2.167626601e+01 3.050742589e+01 1.70 7.599549162e+00 1.926419111e+01 2.748741464e+01 1.72 6.321610527e+00 1.706493807e+01 2.472655308e+01 1.74 5.161660891e+00 1.505870898e+01 2.220072033e+01 1.76 4.109222729e+00 1.322767745e+01 1.988810238e+01 1.78 3.154766964e+00 1.155575345e+01 1.776900479e+01 1.80 2.289631570e+00 1.002840761e+01 1.582566667e+01 1.82 1.505947990e+00 8.632537291e+00 1.404211059e+01 1.84 7.965853907e-01 7.356343600e+00 1.240399063e+01 1.86 1.550848719e-01 6.189213822e+00 1.089844465e+01 1.88 -4.244171693e-01 5.121611901e+00 9.513956182e+00 1.90 -9.472436680e-01 4.144977185e+00 8.240226321e+00 1.92 -1.418226322e+00 3.251630798e+00 7.068054989e+00 1.94 -1.841751018e+00 2.434687283e+00 5.989228190e+00 1.96 -2.221799474e+00 1.687955862e+00 4.996387938e+00 1.98 -2.561987359e+00 1.005853226e+00 4.082917888e+00 2.00 -2.865599126e+00 3.833410788e-01 3.242864653e+00 2.02 -3.135621869e+00 -1.841350669e-01 2.470859665e+00 2.04 -3.374790760e+00 -7.007404603e-01 1.761989763e+00 2.06 -3.585606219e+00 -1.170315088e+00 1.111712382e+00 2.08 -3.770348873e+00 -1.596407429e+00 5.158154635e-01 2.10 -3.931126074e+00 -1.982301851e+00 -2.961404485e-02 2.12 -4.069887522e+00 -2.331038823e+00 -5.282119108e-01 2.14 -4.188437216e+00 -2.645433623e+00 -9.833566770e-01 2.16 -4.288444463e+00 -2.928111526e+00 -1.398188232e+00 2.18 -4.371454019e+00 -3.181534486e+00 -1.775624954e+00 2.20 -4.438895451e+00 -3.407970056e+00 -2.118379620e+00 2.22 -4.492098639e+00 -3.609513017e+00 -2.428974121e+00 2.24 -4.532360237e+00 -3.788100550e+00 -2.709753079e+00 2.26 -4.560908590e+00 -3.945524401e+00 -2.962896491e+00 2.28 -4.578868467e+00 -4.083442065e+00 -3.190431420e+00 2.30 -4.587269277e+00 -4.203387090e+00 -3.394242837e+00 2.32 -4.587053084e+00 -4.306778577e+00 -3.576083686e+00 2.34 -4.579081948e+00 -4.394929923e+00 -3.737584206e+00 2.36 -4.564144642e+00 -4.469056879e+00 -3.880260571e+00 2.38 -4.542962813e+00 -4.530284987e+00 -4.005522932e+00 2.40 -4.516196608e+00 -4.579656420e+00 -4.114682845e+00 2.42 -4.484449842e+00 -4.618136299e+00 -4.208960195e+00 2.44 -4.448274718e+00 -4.646618515e+00 -4.289489608e+00 2.46 -4.408176160e+00 -4.665931095e+00 -4.357326407e+00 2.48 -4.364615767e+00 -4.676844187e+00 -4.413456700e+00 2.50 -4.318015296e+00 -4.680102324e+00 -4.458844058e+00 2.52 -4.268756801e+00 -4.676401636e+00 -4.494393792e+00 2.54 -4.217186472e+00 -4.666374951e+00 -4.520929207e+00 2.56 -4.163621007e+00 -4.650605632e+00 -4.539211101e+00 2.58 -4.108350175e+00 -4.629631803e+00 -4.549942966e+00 2.60 -4.051639018e+00 -4.603949856e+00 -4.553775229e+00 2.62 -3.993729864e+00 -4.574017668e+00 -4.551309154e+00 2.64 -3.934844174e+00 -4.540257576e+00 -4.543100484e+00 2.66 -3.875184238e+00 -4.503059122e+00 -4.529662797e+00 2.68 -3.814934721e+00 -4.462781567e+00 -4.511470629e+00 2.70 -3.754264089e+00 -4.419756226e+00 -4.488962354e+00 2.72 -3.693325932e+00 -4.374288606e+00 -4.462542869e+00 2.74 -3.632605803e+00 -4.326660383e+00 -4.432586068e+00 2.76 -3.575051107e+00 -4.277131226e+00 -4.399437141e+00 2.78 -3.517219375e+00 -4.225940468e+00 -4.363414704e+00 2.80 -3.456471305e+00 -4.173308659e+00 -4.324812770e+00 2.82 -3.396046044e+00 -4.119438990e+00 -4.283902579e+00 2.84 -3.336029366e+00 -4.064518604e+00 -4.240936132e+00 2.86 -3.276498651e+00 -4.008719809e+00 -4.196249441e+00 2.88 -3.217523531e+00 -3.952201194e+00 -4.150312915e+00 2.90 -3.159166484e+00 -3.895108657e+00 -4.102583139e+00 2.92 -3.101483372e+00 -3.837576353e+00 -4.053508568e+00 2.94 -3.044523945e+00 -3.779727572e+00 -4.003361456e+00 2.96 -2.988332293e+00 -3.721675540e+00 -3.952294677e+00 2.98 -2.932947266e+00 -3.663524164e+00 -3.900448859e+00 3.00 -2.878402863e+00 -3.605368717e+00 -3.847953301e+00 3.02 -2.824728583e+00 -3.547296471e+00 -3.794926821e+00 3.04 -2.771949752e+00 -3.489387279e+00 -3.741478550e+00 3.06 -2.720087825e+00 -3.431714110e+00 -3.687708653e+00 3.08 -2.669160661e+00 -3.374343553e+00 -3.633709011e+00 3.10 -2.619182783e+00 -3.317336261e+00 -3.579563840e+00 3.12 -2.570165613e+00 -3.260747387e+00 -3.525350274e+00 3.14 -2.522117692e+00 -3.204626966e+00 -3.471138895e+00 3.16 -2.475044882e+00 -3.149020276e+00 -3.416994236e+00 3.18 -2.428950557e+00 -3.093968175e+00 -3.362975232e+00 3.20 -2.383835777e+00 -3.039507404e+00 -3.309135649e+00 3.22 -2.339699447e+00 -2.985670876e+00 -3.255524478e+00 3.24 -2.296538471e+00 -2.932487936e+00 -3.202186293e+00 3.26 -2.254347882e+00 -2.879984609e+00 -3.149161590e+00 3.28 -2.213120972e+00 -2.828183827e+00 -3.096487102e+00 3.30 -2.172849399e+00 -2.777105638e+00 -3.044196079e+00 3.32 -2.133523291e+00 -2.726767403e+00 -2.992318560e+00 3.34 -2.095131332e+00 -2.677183982e+00 -2.940881618e+00 3.36 -2.057660837e+00 -2.628367902e+00 -2.889909585e+00 3.38 -2.021097815e+00 -2.580329520e+00 -2.839424266e+00 3.40 -1.985427020e+00 -2.533077172e+00 -2.789445132e+00 3.42 -1.950631992e+00 -2.486617313e+00 -2.739989500e+00 3.44 -1.916695087e+00 -2.440954652e+00 -2.691072700e+00 3.46 -1.883597502e+00 -2.396092276e+00 -2.642708227e+00 3.48 -1.851319293e+00 -2.352031767e+00 -2.594902650e+00 3.50 -1.819839389e+00 -2.308773316e+00 -2.547537404e+00 3.52 -1.789135620e+00 -2.266315823e+00 -2.500315056e+00 3.54 -1.759184735e+00 -2.224656997e+00 -2.453807130e+00 3.56 -1.729962452e+00 -2.183793447e+00 -2.408371521e+00 3.58 -1.701443505e+00 -2.143720766e+00 -2.363538175e+00 3.60 -1.673601735e+00 -2.104433610e+00 -2.319311139e+00 3.62 -1.646410185e+00 -2.065925769e+00 -2.275693508e+00 3.64 -1.619841246e+00 -2.028190225e+00 -2.232687505e+00 3.66 -1.593866815e+00 -1.991219216e+00 -2.190294545e+00 3.68 -1.568458497e+00 -1.955004278e+00 -2.148515305e+00 3.70 -1.543587827e+00 -1.919536284e+00 -2.107349780e+00 3.72 -1.519226520e+00 -1.884805482e+00 -2.066797340e+00 3.74 -1.495346737e+00 -1.850801512e+00 -2.026856782e+00 3.76 -1.471921358e+00 -1.817513427e+00 -1.987526375e+00 3.78 -1.448924259e+00 -1.784929705e+00 -1.948803904e+00 3.80 -1.426330572e+00 -1.753038250e+00 -1.910686713e+00 3.82 -1.404116930e+00 -1.721826402e+00 -1.873171739e+00 3.84 -1.382261675e+00 -1.691280936e+00 -1.836255550e+00 3.86 -1.360745036e+00 -1.661388063e+00 -1.799934373e+00 3.88 -1.339549255e+00 -1.632133443e+00 -1.764204127e+00 3.90 -1.318658660e+00 -1.603502193e+00 -1.729060450e+00 3.92 -1.298059699e+00 -1.575478913e+00 -1.694498722e+00 3.94 -1.277740913e+00 -1.548047720e+00 -1.660514091e+00 3.96 -1.257692863e+00 -1.521192293e+00 -1.627101494e+00 3.98 -1.237908016e+00 -1.494895936e+00 -1.594255678e+00 4.00 -1.218380597e+00 -1.469141656e+00 -1.561971215e+00 4.02 -1.198904965e+00 -1.443912252e+00 -1.530242525e+00 4.04 -1.176665093e+00 -1.419190420e+00 -1.499063888e+00 4.06 -1.145279728e+00 -1.394958868e+00 -1.468429460e+00 4.08 -1.108816976e+00 -1.371200445e+00 -1.438333288e+00 4.10 -1.090642265e+00 -1.347898263e+00 -1.408769322e+00 4.12 -1.073234920e+00 -1.325035833e+00 -1.379731424e+00 4.14 -1.056097314e+00 -1.302597188e+00 -1.351213385e+00 4.16 -1.039228069e+00 -1.280567001e+00 -1.323208930e+00 4.18 -1.022625686e+00 -1.258930692e+00 -1.295711731e+00 4.20 -1.006288520e+00 -1.237674516e+00 -1.268715415e+00 4.22 -9.902147736e-01 -1.216785641e+00 -1.242213569e+00 4.24 -9.744024835e-01 -1.196252190e+00 -1.216199753e+00 4.26 -9.588495241e-01 -1.175976572e+00 -1.190667505e+00 4.28 -9.435536089e-01 -1.154080837e+00 -1.165610344e+00 4.30 -9.285122984e-01 -1.120573505e+00 -1.141021783e+00 4.32 -9.137230100e-01 -1.040757393e+00 -1.116895330e+00 4.34 -8.991830301e-01 -9.914412627e-01 -1.093224493e+00 4.36 -8.848895274e-01 -9.755810305e-01 -1.070002790e+00 4.38 -8.708395664e-01 -9.599657758e-01 -1.047223747e+00 4.40 -8.564450228e-01 -9.445922549e-01 -1.024880906e+00 4.42 -8.302667734e-01 -9.294575882e-01 -1.002967830e+00 4.44 -7.401412411e-01 -9.145591928e-01 -9.814781057e-01 4.46 -4.179173007e-01 -8.998947181e-01 -9.604053443e-01 4.48 -1.017446292e-01 -8.854619871e-01 -9.397431888e-01 4.50 -9.874059958e-02 -8.712589428e-01 -9.194853150e-01 4.52 -9.582341603e-02 -8.572836016e-01 -8.996254346e-01 4.54 -9.299057805e-02 -8.435340124e-01 -8.801572980e-01 4.56 -9.023966001e-02 -8.300082238e-01 -8.610746965e-01 4.58 -8.756830861e-02 -8.167042563e-01 -8.423714647e-01 4.60 -8.497424049e-02 -8.036200817e-01 -8.240414828e-01 4.62 -8.245523997e-02 -7.907536077e-01 -8.060786782e-01 4.64 -8.000915676e-02 -7.781026680e-01 -7.884770274e-01 4.66 -7.763390387e-02 -7.656650162e-01 -7.712305580e-01 4.68 -7.532745556e-02 -7.534383245e-01 -7.543333497e-01 4.70 -7.308784534e-02 -7.414201844e-01 -7.377795363e-01 4.72 -7.091316410e-02 -7.296081110e-01 -7.215633066e-01 4.74 -6.880155823e-02 -7.179995483e-01 -7.056789058e-01 4.76 -6.675122794e-02 -7.065918764e-01 -6.901206364e-01 4.78 -6.476042548e-02 -6.953824194e-01 -6.748828595e-01 4.80 -6.282745357e-02 -6.843684537e-01 -6.599599956e-01 4.82 -6.095066381e-02 -6.735472166e-01 -6.453465254e-01 4.84 -5.912845514e-02 -6.629159144e-01 -6.310369906e-01 4.86 -5.735927242e-02 -6.524717304e-01 -6.170259944e-01 4.88 -5.564160499e-02 -6.422118325e-01 -6.033082024e-01 4.90 -5.397398533e-02 -6.321333801e-01 -5.898783429e-01 4.92 -5.221329792e-02 -6.215574743e-01 -5.759151705e-01 4.94 -4.859943802e-02 -6.015059574e-01 -5.509673082e-01 4.96 -3.889689693e-02 -5.407371709e-01 -4.832258664e-01 4.98 -1.931815683e-02 -3.513163284e-01 -3.006138591e-01 5.00 -1.538773585e-23 -3.483275187e-22 -3.559210264e-22 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 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