# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Ag3Al # 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 2024-04-11 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 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 2.280878195e+02 nan nan 1.16 2.100032964e+02 nan nan 1.18 1.933931090e+02 nan nan 1.20 1.781266006e+02 nan nan 1.22 1.640853910e+02 nan nan 1.24 1.511621329e+02 nan nan 1.26 1.392600294e+02 nan nan 1.28 1.282915848e+02 1.979365404e+02 2.269513903e+02 1.30 1.181773365e+02 1.834923405e+02 2.107782908e+02 1.32 1.088454592e+02 1.701191547e+02 1.957893183e+02 1.34 1.002313792e+02 1.577311268e+02 1.818898230e+02 1.36 9.227667689e+01 1.462495721e+02 1.689933988e+02 1.38 8.492797366e+01 1.356031205e+02 1.570205617e+02 1.40 7.813655752e+01 1.257269943e+02 1.458979375e+02 1.42 7.185837656e+01 1.165618135e+02 1.355586310e+02 1.44 6.605355241e+01 1.080524818e+02 1.259427986e+02 1.46 6.068533277e+01 1.001476213e+02 1.169971398e+02 1.48 5.572018095e+01 9.279982897e+01 1.086733830e+02 1.50 5.113011397e+01 8.596633012e+01 1.009267810e+02 1.52 4.688697857e+01 7.960912685e+01 9.371529693e+01 1.54 4.296323119e+01 7.369427367e+01 8.699949770e+01 1.56 3.933371511e+01 6.819078572e+01 8.074275906e+01 1.58 3.597603235e+01 6.306981895e+01 7.491135730e+01 1.60 3.286997199e+01 5.830427711e+01 6.947433181e+01 1.62 2.999698188e+01 5.387075097e+01 6.440323747e+01 1.64 2.733985840e+01 4.974828336e+01 5.967187622e+01 1.66 2.488266771e+01 4.591574492e+01 5.525675763e+01 1.68 2.261078200e+01 4.235177778e+01 5.113927725e+01 1.70 2.051086771e+01 3.903634339e+01 4.730069126e+01 1.72 1.857073688e+01 3.595111506e+01 4.372229906e+01 1.74 1.677909860e+01 3.307943251e+01 4.038668793e+01 1.76 1.512531344e+01 3.040609413e+01 3.727793832e+01 1.78 1.359923322e+01 2.791713331e+01 3.438128716e+01 1.80 1.219114092e+01 2.559970488e+01 3.168287449e+01 1.82 1.089175454e+01 2.344206993e+01 2.916958848e+01 1.84 9.692263512e+00 2.143357423e+01 2.682895121e+01 1.86 8.584405395e+00 1.956454226e+01 2.464901136e+01 1.88 7.560594518e+00 1.782608856e+01 2.261828190e+01 1.90 6.614060248e+00 1.620989860e+01 2.072579292e+01 1.92 5.738911255e+00 1.470803775e+01 1.896127271e+01 1.94 4.930076903e+00 1.331283595e+01 1.731536374e+01 1.96 4.183154402e+00 1.201687316e+01 1.577973290e+01 1.98 3.494233166e+00 1.081305449e+01 1.434700649e+01 2.00 2.859751848e+00 9.694727126e+00 1.301057884e+01 2.02 2.276403822e+00 8.655779649e+00 1.176440047e+01 2.04 1.741079098e+00 7.690680068e+00 1.060282761e+01 2.06 1.250823362e+00 6.794439404e+00 9.520556608e+00 2.08 8.028000573e-01 5.962519748e+00 8.512621589e+00 2.10 3.942504566e-01 5.190725139e+00 7.574415203e+00 2.12 2.245472898e-02 4.475111193e+00 6.701695980e+00 2.14 -3.152966213e-01 3.811931599e+00 5.890562979e+00 2.16 -6.217083150e-01 3.197621674e+00 5.137396721e+00 2.18 -8.994527667e-01 2.628809121e+00 4.438778404e+00 2.20 -1.151109692e+00 2.102338500e+00 3.791407137e+00 2.22 -1.379088245e+00 1.615295450e+00 3.192039124e+00 2.24 -1.585557326e+00 1.165019617e+00 2.637469515e+00 2.26 -1.772406948e+00 7.491014693e-01 2.124563968e+00 2.28 -1.941248842e+00 3.653649190e-01 1.650324763e+00 2.30 -2.093448738e+00 1.184151728e-02 1.211960209e+00 2.32 -2.230174933e+00 -3.132584642e-01 8.069276555e-01 2.34 -2.352448692e+00 -6.115746075e-01 4.329382099e-01 2.36 -2.461187376e+00 -8.846235280e-01 8.793032769e-02 2.38 -2.557236923e+00 -1.133824249e+00 -2.299718434e-01 2.40 -2.641546409e+00 -1.360521678e+00 -5.225016786e-01 2.42 -2.715627287e+00 -1.566007854e+00 -7.912877528e-01 2.44 -2.779984377e+00 -1.751540334e+00 -1.037883400e+00 2.46 -2.835007127e+00 -1.918356897e+00 -1.263786914e+00 2.48 -2.881133877e+00 -2.067685646e+00 -1.470450494e+00 2.50 -2.918838471e+00 -2.200750255e+00 -1.659276128e+00 2.52 -2.948613512e+00 -2.318771421e+00 -1.831598956e+00 2.54 -2.970952033e+00 -2.422966632e+00 -1.988662951e+00 2.56 -2.986347843e+00 -2.514549628e+00 -2.131597061e+00 2.58 -2.995562429e+00 -2.594727781e+00 -2.261400014e+00 2.60 -2.998924721e+00 -2.664692098e+00 -2.378938122e+00 2.62 -2.996552326e+00 -2.725987324e+00 -2.484955292e+00 2.64 -2.988619508e+00 -2.780110217e+00 -2.580090843e+00 2.66 -2.975361612e+00 -2.827693825e+00 -2.664900045e+00 2.68 -2.957076097e+00 -2.869279551e+00 -2.739984259e+00 2.70 -2.934117789e+00 -2.905304484e+00 -2.806402515e+00 2.72 -2.906889062e+00 -2.936099525e+00 -2.864416332e+00 2.74 -2.875840203e+00 -2.961905148e+00 -2.914178836e+00 2.76 -2.841455032e+00 -2.982896394e+00 -2.955893848e+00 2.78 -2.804214567e+00 -2.999278682e+00 -2.989824446e+00 2.80 -2.764583002e+00 -3.011321521e+00 -3.016304021e+00 2.82 -2.722996870e+00 -3.019071863e+00 -3.035746985e+00 2.84 -2.679856902e+00 -3.022462901e+00 -3.048655076e+00 2.86 -2.635523247e+00 -3.021463313e+00 -3.055620519e+00 2.88 -2.590313734e+00 -3.016088975e+00 -3.057498997e+00 2.90 -2.544503776e+00 -3.006395958e+00 -3.055064466e+00 2.92 -2.498326562e+00 -2.992476709e+00 -3.048721290e+00 2.94 -2.451973137e+00 -2.974459670e+00 -3.038888874e+00 2.96 -2.405592962e+00 -2.952513221e+00 -3.025964962e+00 2.98 -2.359296261e+00 -2.926858645e+00 -3.010296278e+00 3.00 -2.313158620e+00 -2.897772852e+00 -2.992163556e+00 3.02 -2.267227615e+00 -2.865583708e+00 -2.971780729e+00 3.04 -2.221530497e+00 -2.830664007e+00 -2.949304897e+00 3.06 -2.176081785e+00 -2.793421688e+00 -2.924861298e+00 3.08 -2.130889883e+00 -2.754282424e+00 -2.898555339e+00 3.10 -2.085962241e+00 -2.713666805e+00 -2.870473776e+00 3.12 -2.041308972e+00 -2.671966165e+00 -2.840695223e+00 3.14 -1.996945018e+00 -2.629522000e+00 -2.809297203e+00 3.16 -1.952891089e+00 -2.586612688e+00 -2.776359871e+00 3.18 -1.909173591e+00 -2.543449321e+00 -2.741967297e+00 3.20 -1.865823760e+00 -2.500179746e+00 -2.706207171e+00 3.22 -1.822876230e+00 -2.456898436e+00 -2.669169650e+00 3.24 -1.780367240e+00 -2.413659178e+00 -2.630945842e+00 3.26 -1.738332712e+00 -2.370488000e+00 -2.591626349e+00 3.28 -1.696806403e+00 -2.327394587e+00 -2.551300073e+00 3.30 -1.655818319e+00 -2.284381374e+00 -2.510053490e+00 3.32 -1.615393519e+00 -2.241450149e+00 -2.467970501e+00 3.34 -1.575551405e+00 -2.198606429e+00 -2.425132962e+00 3.36 -1.536305531e+00 -2.155861976e+00 -2.381621924e+00 3.38 -1.497663893e+00 -2.113235905e+00 -2.337519585e+00 3.40 -1.459629646e+00 -2.070754728e+00 -2.292911831e+00 3.42 -1.422202130e+00 -2.028451656e+00 -2.247891137e+00 3.44 -1.385378117e+00 -1.986365378e+00 -2.202559419e+00 3.46 -1.349152997e+00 -1.944538559e+00 -2.157030289e+00 3.48 -1.313521974e+00 -1.903016198e+00 -2.111430062e+00 3.50 -1.278480970e+00 -1.861843974e+00 -2.065896892e+00 3.52 -1.244027262e+00 -1.821066704e+00 -2.020577708e+00 3.54 -1.210159747e+00 -1.780726959e+00 -1.975622799e+00 3.56 -1.176878891e+00 -1.740863898e+00 -1.931178786e+00 3.58 -1.144186370e+00 -1.701512323e+00 -1.887380776e+00 3.60 -1.112084492e+00 -1.662701976e+00 -1.844345015e+00 3.62 -1.080575479e+00 -1.624457038e+00 -1.802163164e+00 3.64 -1.049660705e+00 -1.586795849e+00 -1.760899019e+00 3.66 -1.019339968e+00 -1.549730806e+00 -1.720587923e+00 3.68 -9.896108626e-01 -1.513268443e+00 -1.681238628e+00 3.70 -9.604683014e-01 -1.477409674e+00 -1.642836965e+00 3.72 -9.319042057e-01 -1.442150198e+00 -1.605350573e+00 3.74 -9.039073861e-01 -1.407481040e+00 -1.568733970e+00 3.76 -8.764636067e-01 -1.373389228e+00 -1.532933410e+00 3.78 -8.495558258e-01 -1.339858564e+00 -1.497891204e+00 3.80 -8.231646048e-01 -1.306870465e+00 -1.463549337e+00 3.82 -7.972686718e-01 -1.274404816e+00 -1.429852346e+00 3.84 -7.718456291e-01 -1.242440797e+00 -1.396749496e+00 3.86 -7.468727936e-01 -1.210957614e+00 -1.364196319e+00 3.88 -7.223281527e-01 -1.179935102e+00 -1.332155584e+00 3.90 -6.981914127e-01 -1.149354163e+00 -1.300597753e+00 3.92 -6.744450935e-01 -1.119197002e+00 -1.269501004e+00 3.94 -6.510756266e-01 -1.089447221e+00 -1.238850899e+00 3.96 -6.280743090e-01 -1.060089705e+00 -1.208639686e+00 3.98 -6.054380639e-01 -1.031110451e+00 -1.178865438e+00 4.00 -5.831698080e-01 -1.002496327e+00 -1.149531010e+00 4.02 -5.612783046e-01 -9.742348535e-01 -1.120642921e+00 4.04 -5.397773868e-01 -9.463140867e-01 -1.092210254e+00 4.06 -5.186845020e-01 -9.187226460e-01 -1.064243594e+00 4.08 -4.980186355e-01 -8.914499614e-01 -1.036754090e+00 4.10 -4.777977874e-01 -8.644867536e-01 -1.009752638e+00 4.12 -4.580362875e-01 -8.378258346e-01 -9.832492249e-01 4.14 -4.387423071e-01 -8.114630261e-01 -9.572524123e-01 4.16 -4.199159332e-01 -7.853983956e-01 -9.317689722e-01 4.18 -4.015481108e-01 -7.596375174e-01 -9.068036433e-01 4.20 -3.836206379e-01 -7.341927041e-01 -8.823589942e-01 4.22 -3.661072655e-01 -7.090840167e-01 -8.584353721e-01 4.24 -3.489757703e-01 -6.843398602e-01 -8.350309130e-01 4.26 -3.321908292e-01 -6.599969695e-01 -8.121415970e-01 4.28 -3.157173804e-01 -6.360996333e-01 -7.897613301e-01 4.30 -2.995241758e-01 -6.126980797e-01 -7.678820406e-01 4.32 -2.835872112e-01 -5.898460590e-01 -7.464937773e-01 4.34 -2.678927395e-01 -5.675977861e-01 -7.255848044e-01 4.36 -2.524395918e-01 -5.460045240e-01 -7.051416857e-01 4.38 -2.372406034e-01 -5.251111668e-01 -6.851493555e-01 4.40 -2.223228758e-01 -5.049532006e-01 -6.655911763e-01 4.42 -2.077268802e-01 -4.855543670e-01 -6.464489818e-01 4.44 -1.935043120e-01 -4.669252483e-01 -6.277031077e-01 4.46 -1.797148610e-01 -4.490628522e-01 -6.093324145e-01 4.48 -1.664221600e-01 -4.319511329e-01 -5.913143046e-01 4.50 -1.536892955e-01 -4.155622796e-01 -5.736247423e-01 4.52 -1.415743373e-01 -3.998585348e-01 -5.562382673e-01 4.54 -1.301263701e-01 -3.847942948e-01 -5.391280978e-01 4.56 -1.193823558e-01 -3.703182686e-01 -5.222661156e-01 4.58 -1.093651746e-01 -3.563755248e-01 -5.056230435e-01 4.60 -1.000828573e-01 -3.429093171e-01 -4.891686007e-01 4.62 -9.152898293e-02 -3.298626398e-01 -4.728717470e-01 4.64 -8.368402955e-02 -3.171795103e-01 -4.567010184e-01 4.66 -7.651743074e-02 -3.048060148e-01 -4.406249718e-01 4.68 -6.999001268e-02 -2.926911662e-01 -4.246127598e-01 4.70 -6.405651739e-02 -2.807876378e-01 -4.086348488e-01 4.72 -5.866782860e-02 -2.690524293e-01 -3.926638956e-01 4.74 -5.377383477e-02 -2.574475131e-01 -3.766757818e-01 4.76 -4.932485273e-02 -2.459404949e-01 -3.606508002e-01 4.78 -4.527298204e-02 -2.345053011e-01 -3.445749646e-01 4.80 -4.157324209e-02 -2.231228794e-01 -3.284413953e-01 4.82 -3.818435703e-02 -2.117819232e-01 -3.122517090e-01 4.84 -3.506924216e-02 -2.004794548e-01 -2.960173124e-01 4.86 -3.219524495e-02 -1.892213465e-01 -2.797604774e-01 4.88 -2.953418551e-02 -1.780225726e-01 -2.635150590e-01 4.90 -2.706223824e-02 -1.669071501e-01 -2.473267123e-01 4.92 -2.475968704e-02 -1.559076753e-01 -2.312524817e-01 4.94 -2.261058019e-02 -1.450643982e-01 -2.153596707e-01 4.96 -2.060221339e-02 -1.344238147e-01 -1.997239600e-01 4.98 -1.872449762e-02 -1.240368077e-01 -1.844268203e-01 5.00 -1.697018031e-02 -1.139564254e-01 -1.695523488e-01 5.02 -1.533383398e-02 -1.042354399e-01 -1.551837396e-01 5.04 -1.381128215e-02 -9.492386137e-02 -1.413996583e-01 5.06 -1.239912441e-02 -8.606660242e-02 -1.282708143e-01 5.08 -1.109431825e-02 -7.770148321e-02 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-7.538063063e-03 -1.127985034e-02 5.46 -8.504867206e-04 -6.536400601e-03 -9.781112513e-03 5.48 -7.346485643e-04 -5.666704352e-03 -8.479745181e-03 5.50 -6.345259146e-04 -4.912232693e-03 -7.350745513e-03 5.52 -5.480413569e-04 -4.258161896e-03 -6.371960544e-03 5.54 -4.733735265e-04 -3.691424931e-03 -5.523849797e-03 5.56 -4.089308492e-04 -3.200546766e-03 -4.789258977e-03 5.58 -3.533264999e-04 -2.775482568e-03 -4.153157183e-03 5.60 -3.053549844e-04 -2.407463092e-03 -3.602423888e-03 5.62 -2.639705752e-04 -2.088849995e-03 -3.125629345e-03 5.64 -2.282676994e-04 -1.813002538e-03 -2.712835851e-03 5.66 -1.974632793e-04 -1.574156331e-03 -2.355416722e-03 5.68 -1.708809647e-04 -1.367314117e-03 -2.045893107e-03 5.70 -1.479371491e-04 -1.188148206e-03 -1.777788117e-03 5.72 -1.281286408e-04 -1.032913885e-03 -1.545497318e-03 5.74 -1.110218431e-04 -8.983729982e-04 -1.344174405e-03 5.76 -9.624329775e-05 -7.817268009e-04 -1.169630723e-03 5.78 -8.347144780e-05 -6.805571892e-04 -1.018247323e-03 5.80 -7.242948277e-05 -5.927754202e-04 -8.868982076e-04 5.82 -6.287913805e-05 -5.165774837e-04 -7.728835404e-04 5.84 -5.461533224e-05 -4.504053470e-04 -6.738716368e-04 5.86 -4.746153653e-05 -3.929133602e-04 -5.878486808e-04 5.88 -4.126578155e-05 -3.429391768e-04 -5.130751993e-04 5.90 -3.589721755e-05 -2.994786132e-04 -4.480484327e-04 5.92 -3.124315402e-05 -2.616639338e-04 -3.914698326e-04 5.94 -2.720651349e-05 -2.287451098e-04 -3.422170111e-04 5.96 -2.370364272e-05 -2.000736533e-04 -2.993195447e-04 5.98 -2.066243194e-05 -1.750886793e-04 -2.619381128e-04 6.00 -1.802069917e-05 -1.533048920e-04 -2.293465176e-04