# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Al # implementation = 2020--Farkas-D--Fe-Ni-Cr-Co-Al--LAMMPS--ipr1 # composition = CoNi3 # 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 -4.195713224e+02 nan nan 0.92 -3.909530414e+02 nan nan 0.94 -3.646466130e+02 nan nan 0.96 -3.409137363e+02 nan nan 0.98 -3.194905668e+02 nan nan 1.00 -2.998494915e+02 nan nan 1.02 -2.818102356e+02 -3.722818034e+02 -4.066026099e+02 1.04 -2.652332959e+02 -3.507511567e+02 -3.830012714e+02 1.06 -2.498122096e+02 -3.307589856e+02 -3.611973369e+02 1.08 -2.352525038e+02 -3.122791372e+02 -3.407229789e+02 1.10 -2.214024812e+02 -2.950146275e+02 -3.213681707e+02 1.12 -2.082376062e+02 -2.786082934e+02 -3.030869158e+02 1.14 -1.958551902e+02 -2.629187725e+02 -2.859259023e+02 1.16 -1.843238889e+02 -2.479275574e+02 -2.699074605e+02 1.18 -1.736894912e+02 -2.337357064e+02 -2.550409767e+02 1.20 -1.638819432e+02 -2.205082142e+02 -2.414189819e+02 1.22 -1.546425341e+02 -2.083107155e+02 -2.290390988e+02 1.24 -1.456717844e+02 -1.970926158e+02 -2.176322067e+02 1.26 -1.367856577e+02 -1.867537585e+02 -2.069081818e+02 1.28 -1.279684864e+02 -1.772046843e+02 -1.966314125e+02 1.30 -1.192772670e+02 -1.682679691e+02 -1.867108582e+02 1.32 -1.107347930e+02 -1.597726042e+02 -1.771449507e+02 1.34 -1.023477630e+02 -1.515789715e+02 -1.679225845e+02 1.36 -9.416345971e+01 -1.436201132e+02 -1.590451668e+02 1.38 -8.622535115e+01 -1.358912346e+02 -1.505116634e+02 1.40 -7.855343421e+01 -1.283716139e+02 -1.422970254e+02 1.42 -7.113640145e+01 -1.209784152e+02 -1.343786448e+02 1.44 -6.400546514e+01 -1.136324884e+02 -1.267604824e+02 1.46 -5.718983967e+01 -1.062755057e+02 -1.194053912e+02 1.48 -5.068525852e+01 -9.888125781e+01 -1.122587914e+02 1.50 -4.446514984e+01 -9.146734995e+01 -1.052623288e+02 1.52 -3.852067201e+01 -8.408048593e+01 -9.834759441e+01 1.54 -3.288044598e+01 -7.677007417e+01 -9.148278554e+01 1.56 -2.758309541e+01 -6.956789197e+01 -8.468566700e+01 1.58 -2.264753771e+01 -6.249519012e+01 -7.799291579e+01 1.60 -1.804990477e+01 -5.557611457e+01 -7.143404993e+01 1.62 -1.372582878e+01 -4.885229550e+01 -6.500607355e+01 1.64 -9.630827128e+00 -4.239533741e+01 -5.870468279e+01 1.66 -6.295462425e+00 -3.628817899e+01 -5.254923357e+01 1.68 -3.971830380e+00 -3.057417461e+01 -4.655722534e+01 1.70 -2.458080837e+00 -2.524758699e+01 -4.074563498e+01 1.72 -1.559891530e+00 -2.030145882e+01 -3.513058724e+01 1.74 -1.103216711e+00 -1.573668876e+01 -2.973568254e+01 1.76 -9.514471706e-01 -1.155490777e+01 -2.460602810e+01 1.78 -1.000085905e+00 -7.887928042e+00 -1.977938793e+01 1.80 -1.168448757e+00 -5.215450798e+00 -1.527692863e+01 1.82 -1.398851715e+00 -3.372252009e+00 -1.111404788e+01 1.84 -1.653794164e+00 -2.152081146e+00 -7.483839085e+00 1.86 -1.909739831e+00 -1.396676948e+00 -4.852905992e+00 1.88 -2.156142781e+00 -9.809383544e-01 -3.062119370e+00 1.90 -2.388902104e+00 -8.059366380e-01 -1.890484958e+00 1.92 -2.608397816e+00 -7.955471718e-01 -1.166026105e+00 1.94 -2.815477166e+00 -8.962632867e-01 -7.599638501e-01 1.96 -3.007928241e+00 -1.070143355e+00 -5.792562460e-01 1.98 -3.182773437e+00 -1.287955173e+00 -5.555870413e-01 2.00 -3.340247033e+00 -1.528944947e+00 -6.396353893e-01 2.02 -3.482810325e+00 -1.778689867e+00 -7.977515003e-01 2.04 -3.612594201e+00 -2.028171817e+00 -1.007590507e+00 2.06 -3.731041066e+00 -2.272522162e+00 -1.253473907e+00 2.08 -3.838434860e+00 -2.509055916e+00 -1.521754379e+00 2.10 -3.934516204e+00 -2.735960057e+00 -1.798353187e+00 2.12 -4.019144805e+00 -2.952422647e+00 -2.071382548e+00 2.14 -4.092812617e+00 -3.157520192e+00 -2.333383989e+00 2.16 -4.155793982e+00 -3.349324422e+00 -2.583224409e+00 2.18 -4.207943723e+00 -3.525294747e+00 -2.820714107e+00 2.20 -4.248416473e+00 -3.681287536e+00 -3.045357008e+00 2.22 -4.276336520e+00 -3.814480755e+00 -3.256028177e+00 2.24 -4.291450787e+00 -3.926132668e+00 -3.451759683e+00 2.26 -4.293966668e+00 -4.018063569e+00 -3.631165526e+00 2.28 -4.284387407e+00 -4.092012729e+00 -3.792723432e+00 2.30 -4.263679187e+00 -4.150218173e+00 -3.934859245e+00 2.32 -4.233268087e+00 -4.195603050e+00 -4.056549137e+00 2.34 -4.194714900e+00 -4.230817131e+00 -4.157624730e+00 2.36 -4.149608328e+00 -4.258084261e+00 -4.239013260e+00 2.38 -4.099328649e+00 -4.279169715e+00 -4.302704185e+00 2.40 -4.044827332e+00 -4.294944097e+00 -4.351182559e+00 2.42 -3.986387482e+00 -4.305622145e+00 -4.386857556e+00 2.44 -3.924192404e+00 -4.311021195e+00 -4.412067974e+00 2.46 -3.858523053e+00 -4.310827733e+00 -4.428715852e+00 2.48 -3.789725119e+00 -4.305569432e+00 -4.437533625e+00 2.50 -3.718436062e+00 -4.295971335e+00 -4.438902358e+00 2.52 -3.645255264e+00 -4.281946836e+00 -4.432600550e+00 2.54 -3.570592563e+00 -4.262943121e+00 -4.418202628e+00 2.56 -3.494824940e+00 -4.238338374e+00 -4.395852188e+00 2.58 -3.418091473e+00 -4.207634138e+00 -4.366241033e+00 2.60 -3.340637808e+00 -4.170697327e+00 -4.330459872e+00 2.62 -3.262835440e+00 -4.127600345e+00 -4.289621545e+00 2.64 -3.185047858e+00 -4.078590278e+00 -4.244504813e+00 2.66 -3.107327440e+00 -4.024064997e+00 -4.195945135e+00 2.68 -3.028829939e+00 -3.964378543e+00 -4.144880763e+00 2.70 -2.948743472e+00 -3.899916062e+00 -4.092259906e+00 2.72 -2.866341324e+00 -3.831143356e+00 -4.038891007e+00 2.74 -2.781010915e+00 -3.758574885e+00 -3.985277200e+00 2.76 -2.692155196e+00 -3.682802920e+00 -3.931457718e+00 2.78 -2.599237563e+00 -3.604616591e+00 -3.876925891e+00 2.80 -2.502119637e+00 -3.525084353e+00 -3.821183369e+00 2.82 -2.401060773e+00 -3.445311926e+00 -3.763766904e+00 2.84 -2.296829752e+00 -3.366219898e+00 -3.704251339e+00 2.86 -2.191181039e+00 -3.288373363e+00 -3.642379613e+00 2.88 -2.085892119e+00 -3.211854452e+00 -3.578077789e+00 2.90 -1.982395694e+00 -3.136351772e+00 -3.511416759e+00 2.92 -1.881736872e+00 -3.061261530e+00 -3.442534828e+00 2.94 -1.784447730e+00 -2.985420993e+00 -3.371467406e+00 2.96 -1.690648113e+00 -2.907721397e+00 -3.298259831e+00 2.98 -1.600369606e+00 -2.827430164e+00 -3.223072079e+00 3.00 -1.513647524e+00 -2.744211613e+00 -3.146161601e+00 3.02 -1.430468774e+00 -2.658070549e+00 -3.067205223e+00 3.04 -1.350826443e+00 -2.569259846e+00 -2.985786138e+00 3.06 -1.274746152e+00 -2.478019504e+00 -2.901788428e+00 3.08 -1.202283394e+00 -2.384427675e+00 -2.815263419e+00 3.10 -1.133548420e+00 -2.288522598e+00 -2.726242994e+00 3.12 -1.068619666e+00 -2.190635454e+00 -2.634854248e+00 3.14 -1.007388961e+00 -2.091830841e+00 -2.541209326e+00 3.16 -9.496900967e-01 -1.993242038e+00 -2.445313168e+00 3.18 -8.954117308e-01 -1.895908172e+00 -2.347053735e+00 3.20 -8.444448424e-01 -1.800649113e+00 -2.246388592e+00 3.22 -7.966977476e-01 -1.708079510e+00 -2.144311955e+00 3.24 -7.520931835e-01 -1.618701707e+00 -2.041914321e+00 3.26 -7.105181495e-01 -1.532921723e+00 -1.940066971e+00 3.28 -6.718214420e-01 -1.451052359e+00 -1.839555539e+00 3.30 -6.358311630e-01 -1.373303371e+00 -1.741098830e+00 3.32 -6.023553957e-01 -1.299760653e+00 -1.645351238e+00 3.34 -5.711840600e-01 -1.230366617e+00 -1.552900553e+00 3.36 -5.420932774e-01 -1.164945550e+00 -1.464261306e+00 3.38 -5.148588714e-01 -1.103217748e+00 -1.379746094e+00 3.40 -4.892624105e-01 -1.044854584e+00 -1.299427534e+00 3.42 -4.650855768e-01 -9.896267826e-01 -1.223309397e+00 3.44 -4.421364911e-01 -9.373242309e-01 -1.151354927e+00 3.46 -4.202879936e-01 -8.877600788e-01 -1.083496086e+00 3.48 -3.994731406e-01 -8.407862023e-01 -1.019641883e+00 3.50 -3.796377305e-01 -7.962935222e-01 -9.596844170e-01 3.52 -3.607282091e-01 -7.542044718e-01 -9.035038698e-01 3.54 -3.426918151e-01 -7.144622835e-01 -8.509724168e-01 3.56 -3.254766998e-01 -6.770194690e-01 -8.019571815e-01 3.58 -3.090315395e-01 -6.417946009e-01 -7.563223824e-01 3.60 -2.933058815e-01 -6.086448749e-01 -7.139309921e-01 3.62 -2.782499633e-01 -5.774215409e-01 -6.746460438e-01 3.64 -2.638145446e-01 -5.479817471e-01 -6.383264751e-01 3.66 -2.499509337e-01 -5.202194445e-01 -6.048164709e-01 3.68 -2.366109508e-01 -4.940421113e-01 -5.739591253e-01 3.70 -2.237469519e-01 -4.693579619e-01 -5.455956255e-01 3.72 -2.113113569e-01 -4.460759589e-01 -5.195545446e-01 3.74 -1.992566109e-01 -4.241058697e-01 -4.956636562e-01 3.76 -1.875462144e-01 -4.033583280e-01 -4.737533961e-01 3.78 -1.761895164e-01 -3.837445777e-01 -4.536558522e-01 3.80 -1.652086113e-01 -3.651767964e-01 -4.352028196e-01 3.82 -1.546258892e-01 -3.475678237e-01 -4.182221302e-01 3.84 -1.444641113e-01 -3.308313459e-01 -4.025332647e-01 3.86 -1.347466154e-01 -3.148860688e-01 -3.879498100e-01 3.88 -1.255002086e-01 -2.996877372e-01 -3.743260752e-01 3.90 -1.167427857e-01 -2.852108286e-01 -3.615300287e-01 3.92 -1.084594584e-01 -2.714300900e-01 -3.494303260e-01 3.94 -1.006287317e-01 -2.583208794e-01 -3.379400887e-01 3.96 -9.322876231e-02 -2.458598292e-01 -3.269848944e-01 3.98 -8.623737559e-02 -2.340230479e-01 -3.164938525e-01 4.00 -7.963216090e-02 -2.227860856e-01 -3.064018848e-01 4.02 -7.339029763e-02 -2.121238736e-01 -2.966508000e-01 4.04 -6.748883347e-02 -2.020105615e-01 -2.871886679e-01 4.06 -6.190468686e-02 -1.924195989e-01 -2.779688023e-01 4.08 -5.661580216e-02 -1.833237910e-01 -2.689482764e-01 4.10 -5.160010921e-02 -1.746949717e-01 -2.600861167e-01 4.12 -4.683556586e-02 -1.665041425e-01 -2.513398381e-01 4.14 -4.230036781e-02 -1.587079500e-01 -2.426490838e-01 4.16 -3.797380053e-02 -1.512407818e-01 -2.339456379e-01 4.18 -3.383688549e-02 -1.440341017e-01 -2.251610939e-01 4.20 -2.987469103e-02 -1.370261432e-01 -2.162385383e-01 4.22 -2.608375708e-02 -1.301950325e-01 -2.071820112e-01 4.24 -2.246848649e-02 -1.235317263e-01 -1.980161626e-01 4.26 -1.903950544e-02 -1.170266279e-01 -1.887657588e-01 4.28 -1.580093050e-02 -1.106690800e-01 -1.794552175e-01 4.30 -1.275405490e-02 -1.044481876e-01 -1.701093028e-01 4.32 -9.910348616e-03 -9.835232989e-02 -1.607524755e-01 4.34 -7.291359370e-03 -9.236969850e-02 -1.514092204e-01 4.36 -4.926558525e-03 -8.648846953e-02 -1.421040215e-01 4.38 -2.849426819e-03 -8.069710721e-02 -1.328612096e-01 4.40 -1.091735471e-03 -7.498495737e-02 -1.237052844e-01 4.42 3.237238095e-04 -6.934253560e-02 -1.146604264e-01 4.44 1.390238022e-03 -6.376247513e-02 -1.057509268e-01 4.46 2.123280406e-03 -5.824027429e-02 -9.700101984e-02 4.48 2.561510013e-03 -5.277505095e-02 -8.843475536e-02 4.50 2.784073882e-03 -4.737105495e-02 -8.007624571e-02 4.52 2.893084600e-03 -4.203840529e-02 -7.194952899e-02 4.54 2.954506884e-03 -3.679491792e-02 -6.407849654e-02 4.56 3.013824485e-03 -3.166694313e-02 -5.648763920e-02 4.58 3.108318410e-03 -2.668844558e-02 -4.920091839e-02 4.60 3.264749344e-03 -2.190061034e-02 -4.224190698e-02 4.62 3.498528978e-03 -1.735029769e-02 -3.563373273e-02 4.64 3.814681155e-03 -1.308761223e-02 -2.939893131e-02 4.66 4.209240678e-03 -9.162133299e-03 -2.355952449e-02 4.68 4.670843191e-03 -5.618879541e-03 -1.813714741e-02 4.70 5.181323275e-03 -2.493375909e-03 -1.315266932e-02 4.72 5.714250369e-03 1.919656226e-04 -8.626671942e-03 4.74 6.233973058e-03 2.431161057e-03 -4.578946292e-03 4.76 6.702516492e-03 4.235769292e-03 -1.027889242e-03 4.78 7.099116237e-03 5.648861073e-03 2.031888290e-03 4.80 7.404910067e-03 6.731506958e-03 4.629182769e-03 4.82 7.598687295e-03 7.527706791e-03 6.794589030e-03 4.84 7.661536046e-03 8.081676981e-03 8.559131336e-03 4.86 7.581473648e-03 8.437937693e-03 9.954469658e-03 4.88 7.357399849e-03 8.637784588e-03 1.101273921e-02 4.90 7.001034115e-03 8.717084513e-03 1.176658571e-02 4.92 6.537186164e-03 8.704987459e-03 1.224913138e-02 4.94 6.002025980e-03 8.623492328e-03 1.249390765e-02 4.96 5.429449082e-03 8.487231230e-03 1.253330136e-02 4.98 4.840783956e-03 8.319294314e-03 1.240618569e-02 5.00 4.258170179e-03 8.136557327e-03 1.217081394e-02 5.02 3.703328991e-03 7.945579419e-03 1.187522468e-02 5.04 3.195207566e-03 7.746107331e-03 1.155575406e-02 5.06 2.748433001e-03 7.545469711e-03 1.123856230e-02 5.08 2.372426441e-03 7.354897781e-03 1.094193217e-02 5.10 2.071179581e-03 7.182332604e-03 1.067798376e-02 5.12 1.843459788e-03 7.033596547e-03 1.045495771e-02 5.14 1.683516308e-03 6.913248151e-03 1.027878659e-02 5.16 1.581479219e-03 6.825335302e-03 1.015445627e-02 5.18 1.524529494e-03 6.773911058e-03 1.008695575e-02 5.20 1.497688217e-03 6.763104749e-03 1.008149852e-02 5.22 1.492007597e-03 6.796878609e-03 1.014318814e-02 5.24 1.505951399e-03 6.878528783e-03 1.027616674e-02 5.26 1.537244904e-03 7.008338229e-03 1.048028284e-02 5.28 1.582367736e-03 7.181701628e-03 1.074833387e-02 5.30 1.636573903e-03 7.387682435e-03 1.106384423e-02 5.32 1.694003884e-03 7.608296816e-03 1.139991529e-02 5.34 1.747982617e-03 7.819219505e-03 1.172022852e-02 5.36 1.791411854e-03 7.991356613e-03 1.198134319e-02 5.38 1.817329285e-03 8.093777452e-03 1.213706167e-02 5.40 1.819548373e-03 8.097356377e-03 1.214387353e-02 5.42 1.793355734e-03 7.978830429e-03 1.196703860e-02 5.44 1.736129703e-03 7.724314517e-03 1.158585978e-02 5.46 1.647830428e-03 7.331994051e-03 1.099772413e-02 5.48 1.531278386e-03 6.813570833e-03 1.022027202e-02 5.50 1.392146499e-03 6.194164000e-03 9.291247832e-03 5.52 1.238675678e-03 5.510762408e-03 8.266179544e-03 5.54 1.078992711e-03 4.799956570e-03 7.199979808e-03 5.56 9.177033058e-04 4.082163185e-03 6.123287766e-03 5.58 7.595378359e-04 3.378391151e-03 5.067623204e-03 5.60 6.093418269e-04 2.710161867e-03 4.065271093e-03 5.62 4.715349413e-04 2.097112812e-03 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