# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1995--Angelo-J-E-Moody-N-R-Baskes-M-I--Ni-Al-H # implementation = 1995--Angelo-J-E--Ni-Al-H--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 1.304724613e+02 nan nan 0.92 1.218507427e+02 nan nan 0.94 1.139385325e+02 nan nan 0.96 1.066422697e+02 nan nan 0.98 9.987947180e+01 nan nan 1.00 9.360954280e+01 1.234014156e+02 1.344416532e+02 1.02 8.776087167e+01 1.160514556e+02 1.264260340e+02 1.04 8.229167477e+01 1.092199710e+02 1.189798913e+02 1.06 7.715359115e+01 1.028618433e+02 1.120396338e+02 1.08 7.231785997e+01 9.690223501e+01 1.055657929e+02 1.10 6.778238196e+01 9.131627221e+01 9.951783964e+01 1.12 6.352319958e+01 8.608088599e+01 9.388094782e+01 1.14 5.950538786e+01 8.114294159e+01 8.860385431e+01 1.16 5.571790143e+01 7.650299294e+01 8.366280221e+01 1.18 5.213067514e+01 7.215401681e+01 7.901722429e+01 1.20 4.872363087e+01 6.804835069e+01 7.463524048e+01 1.22 4.548374893e+01 6.414446876e+01 7.049382598e+01 1.24 4.239317866e+01 6.042788705e+01 6.656436176e+01 1.26 3.944728675e+01 5.689915010e+01 6.283601087e+01 1.28 3.663604243e+01 5.353140367e+01 5.929614198e+01 1.30 3.395141032e+01 5.030772969e+01 5.590971331e+01 1.32 3.139903512e+01 4.722437987e+01 5.266881126e+01 1.34 2.898331424e+01 4.428293933e+01 4.958586661e+01 1.36 2.668962648e+01 4.147065781e+01 4.665045986e+01 1.38 2.450679144e+01 3.877703686e+01 4.384593993e+01 1.40 2.243506550e+01 3.620310241e+01 4.116250343e+01 1.42 2.048273366e+01 3.374588284e+01 3.859868291e+01 1.44 1.864418412e+01 3.140438057e+01 3.615464570e+01 1.46 1.690816529e+01 2.918154226e+01 3.381631186e+01 1.48 1.526461890e+01 2.707080746e+01 3.156859641e+01 1.50 1.370792068e+01 2.506096045e+01 2.940380237e+01 1.52 1.223896840e+01 2.314213314e+01 2.732874704e+01 1.54 1.085967498e+01 2.130532300e+01 2.535212223e+01 1.56 9.574562740e+00 1.954179047e+01 2.346564469e+01 1.58 8.375053182e+00 1.785122456e+01 2.166428404e+01 1.60 7.253141792e+00 1.624410912e+01 1.994856468e+01 1.62 6.202661547e+00 1.472639964e+01 1.831697767e+01 1.64 5.221853815e+00 1.329274074e+01 1.676647735e+01 1.66 4.308602376e+00 1.193688355e+01 1.529641107e+01 1.68 3.458272370e+00 1.066140215e+01 1.390461228e+01 1.70 2.668441106e+00 9.472904354e+00 1.258493852e+01 1.72 1.935740460e+00 8.365859861e+00 1.133142836e+01 1.74 1.258555146e+00 7.332990031e+00 1.014604126e+01 1.76 6.357102556e-01 6.366429737e+00 9.024623096e+00 1.78 6.513576850e-02 5.458312936e+00 7.963575481e+00 1.80 -4.542899613e-01 4.602270476e+00 6.963150593e+00 1.82 -9.230910242e-01 3.795948438e+00 6.025863523e+00 1.84 -1.343413522e+00 3.041503813e+00 5.153180383e+00 1.86 -1.718408050e+00 2.338566842e+00 4.341904382e+00 1.88 -2.052950397e+00 1.684480581e+00 3.586469226e+00 1.90 -2.354069110e+00 1.078061873e+00 2.882504598e+00 1.92 -2.627565840e+00 5.171599253e-01 2.226295756e+00 1.94 -2.877229558e+00 -9.422390133e-04 1.614898441e+00 1.96 -3.106206991e+00 -4.778926001e-01 1.045602459e+00 1.98 -3.317012767e+00 -9.146350382e-01 5.151602677e-01 2.00 -3.511358204e+00 -1.312907969e+00 1.988636328e-02 2.02 -3.688588245e+00 -1.675233088e+00 -4.435791019e-01 2.04 -3.845215863e+00 -2.004961036e+00 -8.773139989e-01 2.06 -3.979497752e+00 -2.306745872e+00 -1.280589940e+00 2.08 -4.093538906e+00 -2.585445610e+00 -1.650175651e+00 2.10 -4.189397495e+00 -2.843679799e+00 -1.985968081e+00 2.12 -4.268663575e+00 -3.081745406e+00 -2.291817555e+00 2.14 -4.332453342e+00 -3.299091458e+00 -2.570494011e+00 2.16 -4.381547953e+00 -3.496132581e+00 -2.823804790e+00 2.18 -4.416861443e+00 -3.672471561e+00 -3.053522912e+00 2.20 -4.439715993e+00 -3.827580395e+00 -3.261363710e+00 2.22 -4.452112737e+00 -3.962685546e+00 -3.448948319e+00 2.24 -4.456052340e+00 -4.079123741e+00 -3.617748471e+00 2.26 -4.452798276e+00 -4.178005412e+00 -3.769026032e+00 2.28 -4.443366984e+00 -4.260785544e+00 -3.903844781e+00 2.30 -4.428703868e+00 -4.329445558e+00 -4.023423593e+00 2.32 -4.409539945e+00 -4.386040845e+00 -4.129094401e+00 2.34 -4.386121029e+00 -4.431894247e+00 -4.222162054e+00 2.36 -4.357787495e+00 -4.467803623e+00 -4.303826224e+00 2.38 -4.322737853e+00 -4.494577237e+00 -4.375071631e+00 2.40 -4.278920722e+00 -4.513442914e+00 -4.436563068e+00 2.42 -4.226426582e+00 -4.525867547e+00 -4.488450895e+00 2.44 -4.168202259e+00 -4.532667478e+00 -4.530149658e+00 2.46 -4.108016063e+00 -4.533814856e+00 -4.560929942e+00 2.48 -4.048151339e+00 -4.528669823e+00 -4.581547467e+00 2.50 -3.989100895e+00 -4.516629062e+00 -4.593706321e+00 2.52 -3.930428105e+00 -4.497620720e+00 -4.598280511e+00 2.54 -3.871117837e+00 -4.471700836e+00 -4.595765165e+00 2.56 -3.810398233e+00 -4.438807221e+00 -4.586580870e+00 2.58 -3.748250999e+00 -4.398768011e+00 -4.571104624e+00 2.60 -3.684899333e+00 -4.351377435e+00 -4.549662296e+00 2.62 -3.620548493e+00 -4.296647559e+00 -4.522528533e+00 2.64 -3.555363766e+00 -4.235270825e+00 -4.489928828e+00 2.66 -3.489483888e+00 -4.169150830e+00 -4.452047921e+00 2.68 -3.423009368e+00 -4.101000851e+00 -4.409048675e+00 2.70 -3.356006153e+00 -4.032739896e+00 -4.361143913e+00 2.72 -3.288487624e+00 -3.965174083e+00 -4.308728338e+00 2.74 -3.220394835e+00 -3.898682852e+00 -4.252582166e+00 2.76 -3.151580929e+00 -3.833672933e+00 -4.193803767e+00 2.78 -3.081844324e+00 -3.770844330e+00 -4.133127004e+00 2.80 -3.011075311e+00 -3.710844249e+00 -4.070748606e+00 2.82 -2.939428447e+00 -3.653917089e+00 -4.006876799e+00 2.84 -2.867350304e+00 -3.599704775e+00 -3.941751162e+00 2.86 -2.795391421e+00 -3.547190467e+00 -3.875613063e+00 2.88 -2.723832908e+00 -3.495200287e+00 -3.808690085e+00 2.90 -2.652726856e+00 -3.443045537e+00 -3.741205774e+00 2.92 -2.582117697e+00 -3.390334446e+00 -3.673380726e+00 2.94 -2.512102224e+00 -3.336827224e+00 -3.605432961e+00 2.96 -2.442875863e+00 -3.282447411e+00 -3.537587484e+00 2.98 -2.374762823e+00 -3.227123016e+00 -3.470067104e+00 3.00 -2.308134337e+00 -3.170750410e+00 -3.403100691e+00 3.02 -2.243133525e+00 -3.113205833e+00 -3.336916811e+00 3.04 -2.179507734e+00 -3.054377400e+00 -3.271734422e+00 3.06 -2.116970547e+00 -2.994231979e+00 -3.207742108e+00 3.08 -2.055560898e+00 -2.932917259e+00 -3.145058564e+00 3.10 -1.995433194e+00 -2.870825452e+00 -3.083667636e+00 3.12 -1.936670320e+00 -2.808422557e+00 -3.023331004e+00 3.14 -1.879300597e+00 -2.745905014e+00 -2.963524963e+00 3.16 -1.823315237e+00 -2.683255598e+00 -2.903546427e+00 3.18 -1.768649599e+00 -2.620444155e+00 -2.842970261e+00 3.20 -1.715181603e+00 -2.557478032e+00 -2.782099831e+00 3.22 -1.662775480e+00 -2.494443467e+00 -2.721526930e+00 3.24 -1.611353858e+00 -2.431553024e+00 -2.661522402e+00 3.26 -1.560889336e+00 -2.369159841e+00 -2.602146170e+00 3.28 -1.511357532e+00 -2.307670313e+00 -2.543427313e+00 3.30 -1.462728068e+00 -2.247375462e+00 -2.485382268e+00 3.32 -1.414964551e+00 -2.188392358e+00 -2.428013588e+00 3.34 -1.368024418e+00 -2.130750195e+00 -2.371316604e+00 3.36 -1.321866276e+00 -2.074421991e+00 -2.315300331e+00 3.38 -1.276456641e+00 -2.019309739e+00 -2.260002249e+00 3.40 -1.231789544e+00 -1.965259585e+00 -2.205467318e+00 3.42 -1.187915808e+00 -1.912133564e+00 -2.151710679e+00 3.44 -1.144954487e+00 -1.859878963e+00 -2.098746145e+00 3.46 -1.103031297e+00 -1.808489827e+00 -2.046582523e+00 3.48 -1.062202442e+00 -1.757961656e+00 -1.995226788e+00 3.50 -1.022478209e+00 -1.708286972e+00 -1.944684230e+00 3.52 -9.838679810e-01 -1.659454222e+00 -1.894958028e+00 3.54 -9.463850529e-01 -1.611447272e+00 -1.846049342e+00 3.56 -9.100462380e-01 -1.564245040e+00 -1.797959559e+00 3.58 -8.748727635e-01 -1.517821218e+00 -1.750683528e+00 3.60 -8.408907785e-01 -1.472144576e+00 -1.704218270e+00 3.62 -8.081315564e-01 -1.427180910e+00 -1.658556612e+00 3.64 -7.766318638e-01 -1.382896662e+00 -1.613689294e+00 3.66 -7.464339564e-01 -1.339272216e+00 -1.569604280e+00 3.68 -7.175843039e-01 -1.296316363e+00 -1.526286573e+00 3.70 -6.901323889e-01 -1.254091699e+00 -1.483718135e+00 3.72 -6.641280811e-01 -1.212714794e+00 -1.441878221e+00 3.74 -6.396140124e-01 -1.172294555e+00 -1.400744870e+00 3.76 -6.166177281e-01 -1.132877795e+00 -1.360296868e+00 3.78 -5.951386846e-01 -1.094475732e+00 -1.320522988e+00 3.80 -5.751316793e-01 -1.057098695e+00 -1.281432344e+00 3.82 -5.564902731e-01 -1.020759811e+00 -1.243067531e+00 3.84 -5.390343815e-01 -9.854741885e-01 -1.205512298e+00 3.86 -5.225306420e-01 -9.512593264e-01 -1.168855297e+00 3.88 -5.067420190e-01 -9.181345367e-01 -1.133127949e+00 3.90 -4.915138565e-01 -8.861206202e-01 -1.098290173e+00 3.92 -4.767429217e-01 -8.552388610e-01 -1.064278075e+00 3.94 -4.622835591e-01 -8.255091057e-01 -1.031029647e+00 3.96 -4.486840747e-01 -7.969470621e-01 -9.985079189e-01 3.98 -4.364306092e-01 -7.695600205e-01 -9.666990529e-01 4.00 -4.247148869e-01 -7.433409721e-01 -9.355949740e-01 4.02 -4.119898680e-01 -7.182610176e-01 -9.051877126e-01 4.04 -3.975150619e-01 -6.942612674e-01 -8.754696057e-01 4.06 -3.816184180e-01 -6.712467438e-01 -8.464333938e-01 4.08 -3.655418574e-01 -6.490867528e-01 -8.180718956e-01 4.10 -3.501095611e-01 -6.276318285e-01 -7.903783712e-01 4.12 -3.357104442e-01 -6.067498436e-01 -7.633466762e-01 4.14 -3.222118226e-01 -5.863621166e-01 -7.369707248e-01 4.16 -3.096095774e-01 -5.664434348e-01 -7.112452106e-01 4.18 -2.979757100e-01 -5.469857752e-01 -6.861660656e-01 4.20 -2.872987357e-01 -5.279852547e-01 -6.617297256e-01 4.22 -2.775164113e-01 -5.094382216e-01 -6.379330547e-01 4.24 -2.685613609e-01 -4.913406644e-01 -6.147735333e-01 4.26 -2.605455138e-01 -4.736900460e-01 -5.922511475e-01 4.28 -2.529180340e-01 -4.564884433e-01 -5.703654351e-01 4.30 -2.450825229e-01 -4.397302400e-01 -5.491185438e-01 4.32 -2.366019029e-01 -4.232809660e-01 -5.285131142e-01 4.34 -2.271663812e-01 -4.072637007e-01 -5.085515356e-01 4.36 -2.165764088e-01 -3.917517724e-01 -4.892438136e-01 4.38 -2.047284192e-01 -3.770774386e-01 -4.705648901e-01 4.40 -1.915947566e-01 -3.636398944e-01 -4.523614211e-01 4.42 -1.772736813e-01 -3.510861918e-01 -4.350239908e-01 4.44 -1.622357898e-01 -3.385195831e-01 -4.189413929e-01 4.46 -1.469298737e-01 -3.245722562e-01 -4.041527560e-01 4.48 -1.317199197e-01 -3.087224940e-01 -3.894284235e-01 4.50 -1.168966515e-01 -2.911602764e-01 -3.735377585e-01 4.52 -1.026877860e-01 -2.727054468e-01 -3.566500632e-01 4.54 -8.926707799e-02 -2.546627253e-01 -3.397025607e-01 4.56 -7.676217508e-02 -2.380872700e-01 -3.238821545e-01 4.58 -6.526125963e-02 -2.231957471e-01 -3.101086754e-01 4.60 -5.481839721e-02 -2.099680935e-01 -2.979504590e-01 4.62 -4.545750673e-02 -1.983220318e-01 -2.866878535e-01 4.64 -3.717493264e-02 -1.881338951e-01 -2.759763359e-01 4.66 -2.994089704e-02 -1.792447587e-01 -2.657003574e-01 4.68 -2.370070697e-02 -1.714531917e-01 -2.558358181e-01 4.70 -1.837764776e-02 -1.645030689e-01 -2.463373751e-01 4.72 -1.388053403e-02 -1.580841842e-01 -2.370735710e-01 4.74 -1.011847508e-02 -1.518674031e-01 -2.278315053e-01 4.76 -7.020226271e-03 -1.455730173e-01 -2.183813167e-01 4.78 -4.544790027e-03 -1.391036787e-01 -2.086625974e-01 4.80 -2.667596391e-03 -1.324870816e-01 -1.987319289e-01 4.82 -1.352312269e-03 -1.257826012e-01 -1.886739994e-01 4.84 -5.335732241e-04 -1.190435929e-01 -1.785653904e-01 4.86 -1.123002077e-04 -1.123141493e-01 -1.684712239e-01 4.88 3.823553975e-05 -1.056310964e-01 -1.584466446e-01 4.90 5.019947342e-05 -9.902548169e-02 -1.485382225e-01 4.92 2.496558637e-05 -9.252347130e-02 -1.387852070e-01 4.94 7.546927499e-06 -8.614709858e-02 -1.292206479e-01 4.96 1.339716652e-06 -7.991493305e-02 -1.198723996e-01 4.98 9.496443579e-08 -7.384268035e-02 -1.107640205e-01 5.00 9.606285265e-10 -6.794372050e-02 -1.019155807e-01 5.02 3.067495180e-13 -6.222959221e-02 -9.334438832e-02 5.04 4.474542604e-19 -5.671042875e-02 -8.506564312e-02 5.06 0.000000000e+00 -5.139535109e-02 -7.709302664e-02 5.08 0.000000000e+00 -4.629282150e-02 -6.943923225e-02 5.10 0.000000000e+00 -4.141096063e-02 -6.211644095e-02 5.12 0.000000000e+00 -3.675782773e-02 -5.513674160e-02 5.14 0.000000000e+00 -3.234166282e-02 -4.851249423e-02 5.16 0.000000000e+00 -2.817108464e-02 -4.225662695e-02 5.18 0.000000000e+00 -2.425523544e-02 -3.638285317e-02 5.20 0.000000000e+00 -2.060385633e-02 -3.090578450e-02 5.22 0.000000000e+00 -1.722727004e-02 -2.584090506e-02 5.24 0.000000000e+00 -1.413623707e-02 -2.120435560e-02 5.26 0.000000000e+00 -1.134163870e-02 -1.701245806e-02 5.28 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4.137800637e-23 6.206700956e-23 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00