# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgNi3 # 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 3.442774634e+02 nan nan 0.92 3.172046336e+02 nan nan 0.94 2.922863477e+02 nan nan 0.96 2.693100079e+02 nan nan 0.98 2.480840890e+02 3.477017646e+02 nan 1.00 2.284482414e+02 3.227067481e+02 3.581323998e+02 1.02 2.102720317e+02 2.995169155e+02 3.331364550e+02 1.04 1.934384351e+02 2.779604583e+02 3.099146489e+02 1.06 1.778348988e+02 2.578980944e+02 2.882950432e+02 1.08 1.633764385e+02 2.392052345e+02 2.681361863e+02 1.10 1.499764907e+02 2.217613948e+02 2.493180505e+02 1.12 1.375630587e+02 2.054804922e+02 2.317241244e+02 1.14 1.260703518e+02 1.902812765e+02 2.152744172e+02 1.16 1.154317145e+02 1.760937511e+02 1.998879375e+02 1.18 1.055861010e+02 1.628425335e+02 1.854883567e+02 1.20 9.648500524e+01 1.504768297e+02 1.720173614e+02 1.22 8.807659614e+01 1.389412134e+02 1.594153112e+02 1.24 8.030843218e+01 1.281858123e+02 1.476307462e+02 1.26 7.314345963e+01 1.181608654e+02 1.366063342e+02 1.28 6.654057010e+01 1.088182857e+02 1.263057305e+02 1.30 6.046100552e+01 1.001211041e+02 1.166858146e+02 1.32 5.486431200e+01 9.203066146e+01 1.077068163e+02 1.34 4.971716039e+01 8.450824658e+01 9.932578084e+01 1.36 4.499086074e+01 7.752197884e+01 9.150709467e+01 1.38 4.065639190e+01 7.103903388e+01 8.422477902e+01 1.40 3.668430611e+01 6.502463298e+01 7.744391705e+01 1.42 3.304821097e+01 5.944635777e+01 7.113671518e+01 1.44 2.972143527e+01 5.428210599e+01 6.527555634e+01 1.46 2.668340924e+01 4.950704096e+01 5.983074790e+01 1.48 2.391323579e+01 4.509460137e+01 5.477828046e+01 1.50 2.139053138e+01 4.102133995e+01 5.009503436e+01 1.52 1.909629451e+01 3.726568385e+01 4.575732919e+01 1.54 1.701259898e+01 3.380606331e+01 4.174024740e+01 1.56 1.512265662e+01 3.062251142e+01 3.802634220e+01 1.58 1.340862133e+01 2.769604880e+01 3.459647078e+01 1.60 1.185949267e+01 2.500880569e+01 3.143190332e+01 1.62 1.046088472e+01 2.253950505e+01 2.851002197e+01 1.64 9.202149574e+00 2.027730959e+01 2.581992566e+01 1.66 8.055211630e+00 1.820763947e+01 2.334587351e+01 1.68 6.982056476e+00 1.631663688e+01 2.107295408e+01 1.70 6.045590219e+00 1.459070849e+01 1.898703943e+01 1.72 5.167532975e+00 1.301531150e+01 1.707459112e+01 1.74 4.347389973e+00 1.158238964e+01 1.532412094e+01 1.76 3.582137728e+00 1.028119260e+01 1.372402637e+01 1.78 2.869167955e+00 9.101700026e+00 1.226341287e+01 1.80 2.206389430e+00 8.018243009e+00 1.093225836e+01 1.82 1.592423189e+00 7.034514008e+00 9.719291522e+00 1.84 1.024905391e+00 6.116228165e+00 8.613605763e+00 1.86 5.014558987e-01 5.293594897e+00 7.594903316e+00 1.88 1.971148774e-02 4.518292607e+00 6.628918893e+00 1.90 -4.226485623e-01 3.791686622e+00 5.789607948e+00 1.92 -8.278748470e-01 3.110198134e+00 4.999697001e+00 1.94 -1.198140982e+00 2.472903538e+00 4.257447509e+00 1.96 -1.534093583e+00 1.878835767e+00 3.561061581e+00 1.98 -1.838739811e+00 1.325876932e+00 2.907868307e+00 2.00 -2.114753110e+00 8.121775051e-01 2.297084196e+00 2.02 -2.363908967e+00 3.358115937e-01 1.726868564e+00 2.04 -2.587912841e+00 -1.051156978e-01 1.195392442e+00 2.06 -2.788817429e+00 -5.124486596e-01 7.008507696e-01 2.08 -2.968028441e+00 -8.880145035e-01 2.414704839e-01 2.10 -3.126789141e+00 -1.233987439e+00 -1.845107862e-01 2.12 -3.266771958e+00 -1.551278610e+00 -5.789444956e-01 2.14 -3.388718717e+00 -1.840202575e+00 -9.432487781e-01 2.16 -3.494379606e+00 -2.103810987e+00 -1.280355851e+00 2.18 -3.584519577e+00 -2.343876318e+00 -1.590910763e+00 2.20 -3.659571040e+00 -2.561725520e+00 -1.873860887e+00 2.22 -3.721370129e+00 -2.758750705e+00 -2.132667407e+00 2.24 -3.770907402e+00 -2.936155530e+00 -2.368821713e+00 2.26 -3.809113444e+00 -3.095118393e+00 -2.583622726e+00 2.28 -3.836863070e+00 -3.236788639e+00 -2.778338560e+00 2.30 -3.854978058e+00 -3.362259260e+00 -2.954138497e+00 2.32 -3.864229848e+00 -3.472532181e+00 -3.112146313e+00 2.34 -3.865342157e+00 -3.568569915e+00 -3.253443804e+00 2.36 -3.858993455e+00 -3.651380258e+00 -3.379060908e+00 2.38 -3.845808007e+00 -3.721400038e+00 -3.489977107e+00 2.40 -3.826357057e+00 -3.779587508e+00 -3.587040928e+00 2.42 -3.801664387e+00 -3.827694438e+00 -3.672016651e+00 2.44 -3.771877236e+00 -3.865854567e+00 -3.744725926e+00 2.46 -3.737396275e+00 -3.894763927e+00 -3.805483136e+00 2.48 -3.698671782e+00 -3.915087916e+00 -3.855761454e+00 2.50 -3.656132092e+00 -3.927456371e+00 -3.896350280e+00 2.52 -3.609836221e+00 -3.933532650e+00 -3.927840720e+00 2.54 -3.559027004e+00 -3.933232413e+00 -3.950862792e+00 2.56 -3.505649258e+00 -3.926529430e+00 -3.966018813e+00 2.58 -3.450929563e+00 -3.913934369e+00 -3.973877753e+00 2.60 -3.394511628e+00 -3.895892049e+00 -3.974976790e+00 2.62 -3.336303987e+00 -3.872878786e+00 -3.969822878e+00 2.64 -3.276562301e+00 -3.845331968e+00 -3.958894174e+00 2.66 -3.215514250e+00 -3.813648535e+00 -3.942640798e+00 2.68 -3.153694067e+00 -3.778200898e+00 -3.921446479e+00 2.70 -3.091017191e+00 -3.739338327e+00 -3.895753289e+00 2.72 -3.027639036e+00 -3.697397313e+00 -3.865941788e+00 2.74 -2.963731914e+00 -3.652288427e+00 -3.832365716e+00 2.76 -2.899386606e+00 -3.603531121e+00 -3.795362136e+00 2.78 -2.834793239e+00 -3.552520685e+00 -3.755956207e+00 2.80 -2.770152573e+00 -3.499651113e+00 -3.714599219e+00 2.82 -2.705560177e+00 -3.445123188e+00 -3.670151695e+00 2.84 -2.641129734e+00 -3.389147463e+00 -3.622152096e+00 2.86 -2.576965016e+00 -3.331920623e+00 -3.572130883e+00 2.88 -2.513160600e+00 -3.273626227e+00 -3.520302969e+00 2.90 -2.449802470e+00 -3.214443508e+00 -3.466879943e+00 2.92 -2.386968606e+00 -3.154611772e+00 -3.412059893e+00 2.94 -2.324729511e+00 -3.094213242e+00 -3.356028094e+00 2.96 -2.263148650e+00 -3.034290155e+00 -3.298957696e+00 2.98 -2.202282887e+00 -2.973992335e+00 -3.241010405e+00 3.00 -2.142183001e+00 -2.913390537e+00 -3.182337083e+00 3.02 -2.082894625e+00 -2.852595924e+00 -3.123078289e+00 3.04 -2.024445906e+00 -2.791782502e+00 -3.063364700e+00 3.06 -1.966920700e+00 -2.731041127e+00 -3.003320844e+00 3.08 -1.910374561e+00 -2.670461490e+00 -2.943025315e+00 3.10 -1.854387910e+00 -2.610125456e+00 -2.882543695e+00 3.12 -1.798959982e+00 -2.550108172e+00 -2.822048919e+00 3.14 -1.744547779e+00 -2.490478465e+00 -2.761632698e+00 3.16 -1.691186729e+00 -2.431299215e+00 -2.701377682e+00 3.18 -1.638845642e+00 -2.372627743e+00 -2.641359863e+00 3.20 -1.587538518e+00 -2.314516222e+00 -2.581647351e+00 3.22 -1.537325351e+00 -2.257011797e+00 -2.522399593e+00 3.24 -1.488160846e+00 -2.200156867e+00 -2.463598479e+00 3.26 -1.440044298e+00 -2.143989888e+00 -2.405275172e+00 3.28 -1.392974910e+00 -2.088541101e+00 -2.347479455e+00 3.30 -1.346932735e+00 -2.033857701e+00 -2.290256531e+00 3.32 -1.301927192e+00 -1.979963860e+00 -2.233647428e+00 3.34 -1.257951467e+00 -1.926799941e+00 -2.177689293e+00 3.36 -1.214964936e+00 -1.874266996e+00 -2.122415499e+00 3.38 -1.172983391e+00 -1.822256669e+00 -2.067855329e+00 3.40 -1.132028681e+00 -1.770965267e+00 -2.014211679e+00 3.42 -1.092056824e+00 -1.720660395e+00 -1.961879220e+00 3.44 -1.052931217e+00 -1.671263229e+00 -1.910216554e+00 3.46 -1.014690448e+00 -1.622761138e+00 -1.858873514e+00 3.48 -9.774743513e-01 -1.575163415e+00 -1.808086396e+00 3.50 -9.412656243e-01 -1.528475571e+00 -1.758173709e+00 3.52 -9.058972166e-01 -1.482695973e+00 -1.709129656e+00 3.54 -8.716035393e-01 -1.437825728e+00 -1.660933950e+00 3.56 -8.386881787e-01 -1.393871912e+00 -1.613596121e+00 3.58 -8.071158611e-01 -1.350820539e+00 -1.567126086e+00 3.60 -7.767084174e-01 -1.308664058e+00 -1.521524619e+00 3.62 -7.473918487e-01 -1.267406580e+00 -1.476789123e+00 3.64 -7.192874241e-01 -1.227031990e+00 -1.432932017e+00 3.66 -6.918647191e-01 -1.187524976e+00 -1.389946519e+00 3.68 -6.646560869e-01 -1.148882028e+00 -1.347822264e+00 3.70 -6.373588010e-01 -1.111115161e+00 -1.306566584e+00 3.72 -6.097957420e-01 -1.074205097e+00 -1.266168874e+00 3.74 -5.818699740e-01 -1.038068593e+00 -1.226611155e+00 3.76 -5.535364391e-01 -1.002668280e+00 -1.187888221e+00 3.78 -5.249334533e-01 -9.680322284e-01 -1.150018554e+00 3.80 -4.962141032e-01 -9.342534628e-01 -1.112972912e+00 3.82 -4.675047686e-01 -9.012683868e-01 -1.076741995e+00 3.84 -4.388013132e-01 -8.692385200e-01 -1.041268060e+00 3.86 -4.103949839e-01 -8.383347594e-01 -1.006517190e+00 3.88 -3.825801612e-01 -8.087465871e-01 -9.725979095e-01 3.90 -3.555736953e-01 -7.803991061e-01 -9.393572165e-01 3.92 -3.296655288e-01 -7.531181750e-01 -9.068366222e-01 3.94 -3.080573974e-01 -7.267439963e-01 -8.752807789e-01 3.96 -2.874362033e-01 -7.010848815e-01 -8.447979728e-01 3.98 -2.678230490e-01 -6.757161288e-01 -8.155806529e-01 4.00 -2.492138160e-01 -6.503428072e-01 -7.875525645e-01 4.02 -2.315945048e-01 -6.247776305e-01 -7.605845552e-01 4.04 -2.149424934e-01 -5.989162320e-01 -7.347911061e-01 4.06 -1.992288102e-01 -5.727170480e-01 -7.097782899e-01 4.08 -1.844199578e-01 -5.461436426e-01 -6.851141287e-01 4.10 -1.704793711e-01 -5.192732960e-01 -6.604994886e-01 4.12 -1.573685817e-01 -4.922121271e-01 -6.357396313e-01 4.14 -1.450481379e-01 -4.651336878e-01 -6.107208777e-01 4.16 -1.334783166e-01 -4.384105868e-01 -5.853915457e-01 4.18 -1.226196755e-01 -4.139233650e-01 -5.597356441e-01 4.20 -1.124334801e-01 -3.899053379e-01 -5.337504637e-01 4.22 -1.028820128e-01 -3.665417691e-01 -5.075637978e-01 4.24 -9.392879805e-02 -3.439371898e-01 -4.813025973e-01 4.26 -8.553876149e-02 -3.221658932e-01 -4.549664138e-01 4.28 -7.768859588e-02 -3.012769400e-01 -4.287783743e-01 4.30 -7.085283566e-02 -2.812990901e-01 -4.029928393e-01 4.32 -6.552953129e-02 -2.622449035e-01 -3.778038824e-01 4.34 -6.052194854e-02 -2.441141503e-01 -3.533562524e-01 4.36 -5.582525503e-02 -2.268966025e-01 -3.297544994e-01 4.38 -5.142055812e-02 -2.105743414e-01 -3.070705935e-01 4.40 -4.729017319e-02 -1.951236466e-01 -2.853502600e-01 4.42 -4.341738620e-02 -1.805165462e-01 -2.646182469e-01 4.44 -3.978642017e-02 -1.667220588e-01 -2.448826600e-01 4.46 -3.638240058e-02 -1.537072067e-01 -2.261385545e-01 4.48 -3.319131916e-02 -1.414378333e-01 -2.083708963e-01 4.50 -3.019999427e-02 -1.298792463e-01 -1.915569779e-01 4.52 -2.739603006e-02 -1.189967228e-01 -1.756683868e-01 4.54 -2.476777656e-02 -1.087559048e-01 -1.606726094e-01 4.56 -2.230429234e-02 -9.912311240e-02 -1.465343400e-01 4.58 -1.999530390e-02 -9.006556383e-02 -1.332165089e-01 4.60 -1.783116834e-02 -8.155154217e-02 -1.206811109e-01 4.62 -1.580283764e-02 -7.355051478e-02 -1.088898626e-01 4.64 -1.390182448e-02 -6.603321244e-02 -9.780471630e-02 4.66 -1.212016806e-02 -5.897167044e-02 -8.738824643e-02 4.68 -1.045040237e-02 -5.233924760e-02 -7.760394490e-02 4.70 -8.885527548e-03 -4.611063172e-02 -6.841644791e-02 4.72 -7.418980211e-03 -4.026181881e-02 -5.979168294e-02 4.74 -6.044606755e-03 -3.477008646e-02 -5.169697382e-02 4.76 -4.756638166e-03 -2.961395858e-02 -4.410110532e-02 4.78 -3.552408621e-03 -2.478443628e-02 -3.699144643e-02 4.80 -2.429307101e-03 -2.026975969e-02 -3.035487813e-02 4.82 -2.041084098e-03 -1.883119456e-02 -2.824678882e-02 4.84 -1.690020844e-03 -1.755257487e-02 -2.632886230e-02 4.86 -1.363469824e-03 -1.635096434e-02 -2.452644652e-02 4.88 -1.059804240e-03 -1.522201416e-02 -2.283302124e-02 4.90 -7.774556714e-04 -1.416141799e-02 -2.124212698e-02 4.92 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