# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Al-Mn # implementation = 2025--Sharifi-H--Fe-Al-Mn--LAMMPS--ipr1 # composition = Al # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan 2.291215609e+02 nan nan nan nan 0.80 nan nan nan nan nan 2.104133435e+02 nan nan nan nan 0.82 nan nan nan nan nan 1.934552256e+02 nan nan 2.437890071e+02 nan 0.84 nan nan nan nan nan 1.780587741e+02 nan nan 2.234678744e+02 nan 0.86 nan nan nan nan nan 1.640589503e+02 nan nan 2.050159690e+02 nan 0.88 nan nan nan nan nan 1.513107604e+02 nan nan 1.882490737e+02 nan 0.90 nan 2.913768903e+02 nan nan nan 1.396864504e+02 nan nan 1.729991894e+02 2.477349296e+02 0.92 nan 2.679579820e+02 nan nan nan 1.290731508e+02 2.561377389e+02 nan 1.591143446e+02 2.287959394e+02 0.94 nan 2.465531462e+02 nan nan nan 1.193708871e+02 2.364791939e+02 nan 1.464578596e+02 2.114890170e+02 0.96 nan 2.269942470e+02 nan nan nan 1.104908416e+02 2.184755160e+02 nan 1.349072640e+02 1.956515660e+02 0.98 nan 2.091092655e+02 2.973160765e+02 nan nan 1.023289010e+02 2.019519650e+02 nan 1.243343390e+02 1.811023026e+02 1.00 nan 1.927211592e+02 2.757110263e+02 nan 2.927422979e+02 9.475235469e+01 1.867088918e+02 2.722257511e+02 1.145948213e+02 1.676206631e+02 1.02 2.719753322e+02 1.776997717e+02 2.557437757e+02 2.719794062e+02 2.719834803e+02 8.773221868e+01 1.726549174e+02 2.526333728e+02 1.056272216e+02 1.551447093e+02 1.04 2.527441775e+02 1.639245911e+02 2.373088063e+02 2.527482797e+02 2.527523820e+02 8.124074891e+01 1.597048382e+02 2.345320754e+02 9.737548586e+01 1.436168836e+02 1.06 2.349525665e+02 1.512832076e+02 2.202969413e+02 2.349566972e+02 2.349608280e+02 7.524616131e+01 1.477744129e+02 2.178221375e+02 8.978455502e+01 1.329756474e+02 1.08 2.185057919e+02 1.396720356e+02 2.045995755e+02 2.185099513e+02 2.185141107e+02 6.971475448e+01 1.367823351e+02 2.024017486e+02 8.280148936e+01 1.231582847e+02 1.10 2.033071826e+02 1.289964836e+02 1.901115190e+02 2.033113710e+02 2.033155593e+02 6.461242705e+01 1.266514744e+02 1.881704804e+02 7.637616910e+01 1.141028567e+02 1.12 1.892612934e+02 1.191707537e+02 1.767328148e+02 1.892655107e+02 1.892697281e+02 5.990570281e+01 1.173095863e+02 1.750316102e+02 7.046168829e+01 1.057495229e+02 1.14 1.762760600e+02 1.101174069e+02 1.643698104e+02 1.762803066e+02 1.762845532e+02 5.556243279e+01 1.086896488e+02 1.628935964e+02 6.501453276e+01 9.804139276e+01 1.16 1.642641833e+02 1.017667897e+02 1.529356913e+02 1.642684593e+02 1.642727353e+02 5.155224329e+01 1.007299341e+02 1.516709307e+02 5.999460972e+01 9.092503363e+01 1.18 1.531439443e+02 9.405639041e+01 1.423506353e+02 1.531482498e+02 1.531525553e+02 4.784679309e+01 9.337390249e+01 1.412845415e+02 5.536516808e+01 8.435072757e+01 1.20 1.428396052e+02 8.693017170e+01 1.325417054e+02 1.428439403e+02 1.428482754e+02 4.441987895e+01 8.656998227e+01 1.316618785e+02 5.109264912e+01 7.827255259e+01 1.22 1.332815139e+02 8.033791510e+01 1.234425691e+02 1.332858787e+02 1.332902435e+02 4.124743293e+01 8.027127820e+01 1.227367777e+02 4.714650106e+01 7.264833369e+01 1.24 1.244060023e+02 7.423459754e+01 1.149931100e+02 1.244103970e+02 1.244147916e+02 3.830747470e+01 7.443524025e+01 1.144491801e+02 4.349897157e+01 6.743950866e+01 1.26 1.161551460e+02 6.857980839e+01 1.071389774e+02 1.161595705e+02 1.161639951e+02 3.558002327e+01 6.902331619e+01 1.067447594e+02 4.012489296e+01 6.261094172e+01 1.28 1.084764332e+02 6.333721607e+01 9.983110704e+01 1.084808877e+02 1.084853423e+02 3.304698000e+01 6.400060384e+01 9.957449839e+01 3.700146973e+01 5.813070437e+01 1.30 1.013223849e+02 5.847408610e+01 9.302524390e+01 1.013268695e+02 1.013313541e+02 3.069199241e+01 5.933551396e+01 9.289424374e+01 3.410805393e+01 5.396984003e+01 1.32 9.465014853e+01 5.396084996e+01 8.668147509e+01 9.465466325e+01 9.465917797e+01 2.850031144e+01 5.499945037e+01 8.666425874e+01 3.142594115e+01 5.010212141e+01 1.34 8.842108741e+01 4.977072716e+01 8.076378599e+01 8.842563229e+01 8.843017717e+01 2.645864834e+01 5.096651145e+01 8.084878891e+01 2.893818449e+01 4.650380878e+01 1.36 8.260037972e+01 4.587939282e+01 7.523964678e+01 8.260495479e+01 8.260952987e+01 2.455503519e+01 4.721321550e+01 7.541564972e+01 2.662942240e+01 4.315342064e+01 1.38 7.715663413e+01 4.226468681e+01 7.007963174e+01 7.716123943e+01 7.716584473e+01 2.277869134e+01 4.371824923e+01 7.033584227e+01 2.448572660e+01 4.003151723e+01 1.40 7.206153002e+01 3.890636152e+01 6.525707382e+01 7.206616556e+01 7.207080111e+01 2.111989769e+01 4.046224334e+01 6.558319919e+01 2.249445745e+01 3.712049880e+01 1.42 6.728948462e+01 3.578586367e+01 6.074775370e+01 6.729415043e+01 6.729881624e+01 1.956987950e+01 3.742758292e+01 6.113406061e+01 2.064410825e+01 3.440441920e+01 1.44 6.281734842e+01 3.288614632e+01 5.652962178e+01 6.282204449e+01 6.282674057e+01 1.812070066e+01 3.459820934e+01 5.696698486e+01 1.892418531e+01 3.186881548e+01 1.46 5.862413054e+01 3.019150684e+01 5.258255062e+01 5.862885688e+01 5.863358322e+01 1.676516806e+01 3.195944857e+01 5.306249347e+01 1.732510496e+01 2.950056719e+01 1.48 5.469075097e+01 2.768744790e+01 4.888811746e+01 5.469550756e+01 5.470026415e+01 1.549674617e+01 2.949786794e+01 4.940284101e+01 1.583810208e+01 2.728775452e+01 1.50 5.099981877e+01 2.536055830e+01 4.542941514e+01 5.100460559e+01 5.100939241e+01 1.430948157e+01 2.720115018e+01 4.597180935e+01 1.445514680e+01 2.521951147e+01 1.52 4.753543719e+01 2.319841023e+01 4.219088549e+01 4.754025422e+01 4.754507124e+01 1.319787957e+01 2.505798128e+01 4.275452970e+01 1.316886376e+01 2.328591379e+01 1.54 4.428303158e+01 2.118947053e+01 3.915817363e+01 4.428787878e+01 4.429272597e+01 1.215680707e+01 2.305795085e+01 3.973732687e+01 1.197246143e+01 2.147788017e+01 1.56 4.122919853e+01 1.932302395e+01 3.631800132e+01 4.123407585e+01 4.123895317e+01 1.118156628e+01 2.119145502e+01 3.690758427e+01 1.085966974e+01 1.978708442e+01 1.58 3.836157424e+01 1.758910648e+01 3.365805711e+01 3.836648164e+01 3.837138904e+01 1.026785766e+01 1.944960384e+01 3.425362691e+01 9.824697365e+00 1.820587753e+01 1.60 3.566871926e+01 1.597844694e+01 3.116690093e+01 3.567365667e+01 3.567859408e+01 9.411732640e+00 1.782415233e+01 3.176461996e+01 8.862188324e+00 1.672721635e+01 1.62 3.314001564e+01 1.448241576e+01 2.883388137e+01 3.314498300e+01 3.314995035e+01 8.609552814e+00 1.630744293e+01 2.943047821e+01 7.967169010e+00 1.534458382e+01 1.64 3.076557856e+01 1.309297945e+01 2.664906407e+01 3.077057579e+01 3.077557301e+01 7.857954768e+00 1.489235894e+01 2.724178884e+01 7.135012186e+00 1.405192243e+01 1.66 2.853618222e+01 1.180266026e+01 2.460316935e+01 2.854120923e+01 2.854623624e+01 7.153819756e+00 1.357229006e+01 2.518974708e+01 6.361430284e+00 1.284358891e+01 1.68 2.644319631e+01 1.060451197e+01 2.268751805e+01 2.644825301e+01 2.645330970e+01 6.494247710e+00 1.234107723e+01 2.326610126e+01 5.642457581e+00 1.171430387e+01 1.70 2.447853123e+01 9.492089320e+00 2.089398423e+01 2.448361751e+01 2.448870379e+01 5.876534910e+00 1.119297385e+01 2.146310554e+01 4.974417598e+00 1.065911584e+01 1.72 2.263459087e+01 8.459396481e+00 1.921495368e+01 2.263970663e+01 2.264482238e+01 5.298154806e+00 1.012261547e+01 1.977347911e+01 4.353893538e+00 9.673392891e+00 1.74 2.090423205e+01 7.500858390e+00 1.764328745e+01 2.090937716e+01 2.091452227e+01 4.756741614e+00 9.124992673e+00 1.819037102e+01 3.777708446e+00 8.752797781e+00 1.76 1.928072932e+01 6.611295940e+00 1.617228972e+01 1.928590366e+01 1.929107800e+01 4.250076083e+00 8.195426577e+00 1.670732965e+01 3.242907366e+00 7.893264603e+00 1.78 1.775774453e+01 5.785902695e+00 1.479568936e+01 1.776294795e+01 1.776815137e+01 3.776067322e+00 7.329545765e+00 1.531827604e+01 2.746716024e+00 7.090978234e+00 1.80 1.632930032e+01 5.020222992e+00 1.350761720e+01 1.633453268e+01 1.633976503e+01 3.332740569e+00 6.523266626e+00 1.401748055e+01 2.286496368e+00 6.342356276e+00 1.82 1.498975694e+01 4.310131563e+00 1.230256439e+01 1.499501807e+01 1.500027920e+01 2.918238705e+00 5.772769107e+00 1.279954217e+01 1.859799458e+00 5.644033038e+00 1.84 1.373379176e+01 3.651824330e+00 1.117536034e+01 1.373908151e+01 1.374437125e+01 2.530814784e+00 5.074468761e+00 1.165936999e+01 1.464359765e+00 4.992845306e+00 1.86 1.255638120e+01 3.041786069e+00 1.012115426e+01 1.256169937e+01 1.256701754e+01 2.168824581e+00 4.425000524e+00 1.059216667e+01 1.098072442e+00 4.385819624e+00 1.88 1.145278436e+01 2.476743721e+00 9.135397865e+00 1.145813077e+01 1.146347718e+01 1.830720002e+00 3.821205926e+00 9.593413277e+00 7.589767501e-01 3.820160808e+00 1.90 1.041852841e+01 1.953649740e+00 8.213829416e+00 1.042390286e+01 1.042927731e+01 1.515043249e+00 3.260121327e+00 8.658855382e+00 4.452452809e-01 3.293241564e+00 1.92 9.449395154e+00 1.469668947e+00 7.352458653e+00 9.454797428e+00 9.460199701e+00 1.220421596e+00 2.738967233e+00 7.784490076e+00 1.551742644e-01 2.802593008e+00 1.94 8.541408660e+00 1.022166049e+00 6.547552537e+00 8.546838540e+00 8.552268419e+00 9.455626578e-01 2.255141722e+00 6.966551300e+00 -1.128562046e-01 2.345895936e+00 1.96 7.690823829e+00 6.086937576e-01 5.795618360e+00 7.696281083e+00 7.701738336e+00 6.892501014e-01 1.806209485e+00 6.201499570e+00 -3.604259343e-01 1.920972783e+00 1.98 6.894115614e+00 2.269814840e-01 5.093377437e+00 6.899599998e+00 6.905084380e+00 4.503396957e-01 1.389848857e+00 5.486016224e+00 -5.890032038e-01 1.525780112e+00 2.00 6.147968850e+00 -1.250754600e-01 4.437748155e+00 6.153480108e+00 6.158991365e+00 2.277556530e-01 1.003789335e+00 4.817007588e+00 -7.999414834e-01 1.158401592e+00 2.02 5.449268630e+00 -4.494279669e-01 3.825835863e+00 5.454806497e+00 5.460344362e+00 2.048722816e-02 6.459121565e-01 4.191581950e+00 -9.944887501e-01 8.170413951e-01 2.04 4.795091042e+00 -7.478936934e-01 3.254925270e+00 4.800655238e+00 4.806219432e+00 -1.724135500e-01 3.142594891e-01 3.607029140e+00 -1.173795257e+00 5.000034266e-01 2.06 4.182694294e+00 -1.022170035e+00 2.722484736e+00 4.188284528e+00 4.193874761e+00 -3.518282557e-01 7.029768684e-03 3.060799080e+00 -1.338916248e+00 2.055831170e-01 2.08 3.609510218e+00 -1.273843940e+00 2.226146457e+00 3.615126188e+00 3.620742157e+00 -5.185805501e-01 -2.774383958e-01 2.550504392e+00 -1.490823187e+00 -6.785177480e-02 2.10 3.073135969e+00 -1.504400429e+00 1.763689551e+00 3.078777359e+00 3.084418747e+00 -6.734432709e-01 -5.406803050e-01 2.073920696e+00 -1.630413431e+00 -3.218000710e-01 2.12 2.571326015e+00 -1.715228938e+00 1.333032765e+00 2.576992496e+00 2.582658976e+00 -8.171407719e-01 -7.841140404e-01 1.628978169e+00 -1.758515875e+00 -5.576368455e-01 2.14 2.101984377e+00 -1.907629258e+00 9.322274910e-01 2.107675608e+00 2.113366836e+00 -9.503506401e-01 -1.009050589e+00 1.213753302e+00 -1.875896122e+00 -7.766228751e-01 2.16 1.663157082e+00 -2.082817113e+00 5.594510226e-01 1.668872707e+00 1.674588330e+00 -1.073702201e+00 -1.216704317e+00 8.264609183e-01 -1.983261225e+00 -9.799133713e-01 2.18 1.253024880e+00 -2.241929392e+00 2.130000556e-01 1.258764530e+00 1.264504178e+00 -1.187798460e+00 -1.408200188e+00 4.654461779e-01 -2.081264059e+00 -1.168566041e+00 2.20 8.698961370e-01 -2.386029070e+00 -1.087156095e-01 8.756594283e-01 8.814227182e-01 -1.293187133e+00 -1.584580036e+00 1.291705391e-01 -2.170507405e+00 -1.343548563e+00 2.22 5.121999457e-01 -2.516109822e+00 -4.071791494e-01 5.179864814e-01 5.237730158e-01 -1.390381444e+00 -1.746808398e+00 -1.838060268e-01 -2.251547524e+00 -1.505745528e+00 2.24 1.784794173e-01 -2.633100376e+00 -6.837726055e-01 1.842887854e-01 1.900981522e-01 -1.479859876e+00 -1.895777975e+00 -4.748327305e-01 -2.324897682e+00 -1.655964879e+00 2.26 -1.326192234e-01 -2.737869139e+00 -9.397855018e-01 -1.267874501e-01 -1.209556780e-01 -1.562068427e+00 -2.032316182e+00 -7.451747890e-01 -2.391032633e+00 -1.794946109e+00 2.28 -4.223682959e-01 -2.831229961e+00 -1.176430564e+00 -4.165145598e-01 -4.106608248e-01 -1.637427605e+00 -2.157195022e+00 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