# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti # implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--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 2024-03-01 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 -4.195713257e+02 nan nan 0.92 -3.909530428e+02 nan nan 0.94 -3.646466160e+02 nan nan 0.96 -3.409137403e+02 nan nan 0.98 -3.194905708e+02 nan nan 1.00 -2.998494916e+02 nan nan 1.02 -2.818102377e+02 -3.722818062e+02 -4.066026150e+02 1.04 -2.652332950e+02 -3.507511541e+02 -3.830012661e+02 1.06 -2.498122084e+02 -3.307589867e+02 -3.611973371e+02 1.08 -2.352525058e+02 -3.122791371e+02 -3.407229789e+02 1.10 -2.214024809e+02 -2.950146264e+02 -3.213681670e+02 1.12 -2.082376069e+02 -2.786082954e+02 -3.030869192e+02 1.14 -1.958551896e+02 -2.629187757e+02 -2.859258988e+02 1.16 -1.843238901e+02 -2.479275567e+02 -2.699074623e+02 1.18 -1.736894908e+02 -2.337357038e+02 -2.550409757e+02 1.20 -1.638819448e+02 -2.205082159e+02 -2.414189803e+02 1.22 -1.546425356e+02 -2.083107152e+02 -2.290391051e+02 1.24 -1.456717851e+02 -1.970926139e+02 -2.176322048e+02 1.26 -1.367856585e+02 -1.867537584e+02 -2.069081820e+02 1.28 -1.279684869e+02 -1.772046847e+02 -1.966314126e+02 1.30 -1.192772682e+02 -1.682679676e+02 -1.867108576e+02 1.32 -1.107347918e+02 -1.597726051e+02 -1.771449468e+02 1.34 -1.023477646e+02 -1.515789713e+02 -1.679225862e+02 1.36 -9.416345998e+01 -1.436201118e+02 -1.590451677e+02 1.38 -8.622535224e+01 -1.358912350e+02 -1.505116642e+02 1.40 -7.855343482e+01 -1.283716138e+02 -1.422970253e+02 1.42 -7.113640103e+01 -1.209784157e+02 -1.343786440e+02 1.44 -6.400546650e+01 -1.136324878e+02 -1.267604846e+02 1.46 -5.718984158e+01 -1.062755081e+02 -1.194053922e+02 1.48 -5.068525794e+01 -9.888125734e+01 -1.122587928e+02 1.50 -4.446515141e+01 -9.146735218e+01 -1.052623284e+02 1.52 -3.852067267e+01 -8.408048494e+01 -9.834759147e+01 1.54 -3.288044686e+01 -7.677007313e+01 -9.148278403e+01 1.56 -2.758309596e+01 -6.956789021e+01 -8.468566691e+01 1.58 -2.264753615e+01 -6.249518960e+01 -7.799291563e+01 1.60 -1.804990569e+01 -5.557611516e+01 -7.143405173e+01 1.62 -1.372582913e+01 -4.885229421e+01 -6.500607508e+01 1.64 -9.630826644e+00 -4.239533630e+01 -5.870468430e+01 1.66 -6.295461891e+00 -3.628817987e+01 -5.254923303e+01 1.68 -3.971830263e+00 -3.057417429e+01 -4.655722574e+01 1.70 -2.458081327e+00 -2.524758810e+01 -4.074563587e+01 1.72 -1.559891566e+00 -2.030145792e+01 -3.513058803e+01 1.74 -1.103216747e+00 -1.573668819e+01 -2.973568143e+01 1.76 -9.514470860e-01 -1.155490638e+01 -2.460602533e+01 1.78 -1.000086060e+00 -7.887927562e+00 -1.977938766e+01 1.80 -1.168448794e+00 -5.215450804e+00 -1.527693096e+01 1.82 -1.398851821e+00 -3.372252908e+00 -1.111404856e+01 1.84 -1.653794080e+00 -2.152080332e+00 -7.483838315e+00 1.86 -1.909739777e+00 -1.396676662e+00 -4.852906262e+00 1.88 -2.156142863e+00 -9.809389378e-01 -3.062118938e+00 1.90 -2.388902019e+00 -8.059363648e-01 -1.890484818e+00 1.92 -2.608397796e+00 -7.955470340e-01 -1.166025699e+00 1.94 -2.815477197e+00 -8.962633449e-01 -7.599639084e-01 1.96 -3.007928308e+00 -1.070143313e+00 -5.792564127e-01 1.98 -3.182773479e+00 -1.287955144e+00 -5.555868927e-01 2.00 -3.340247052e+00 -1.528944950e+00 -6.396355980e-01 2.02 -3.482810335e+00 -1.778689842e+00 -7.977514821e-01 2.04 -3.612594205e+00 -2.028171843e+00 -1.007590472e+00 2.06 -3.731041071e+00 -2.272522184e+00 -1.253473892e+00 2.08 -3.838434836e+00 -2.509055938e+00 -1.521754238e+00 2.10 -3.934516202e+00 -2.735960006e+00 -1.798353186e+00 2.12 -4.019144806e+00 -2.952422697e+00 -2.071382560e+00 2.14 -4.092812615e+00 -3.157520277e+00 -2.333384028e+00 2.16 -4.155793982e+00 -3.349324336e+00 -2.583224451e+00 2.18 -4.207943724e+00 -3.525294838e+00 -2.820714142e+00 2.20 -4.248416471e+00 -3.681287477e+00 -3.045357015e+00 2.22 -4.276336520e+00 -3.814480757e+00 -3.256028218e+00 2.24 -4.291450786e+00 -3.926132644e+00 -3.451759711e+00 2.26 -4.293966665e+00 -4.018063537e+00 -3.631165507e+00 2.28 -4.284387405e+00 -4.092012716e+00 -3.792723446e+00 2.30 -4.263679190e+00 -4.150218184e+00 -3.934859237e+00 2.32 -4.233268089e+00 -4.195603044e+00 -4.056549135e+00 2.34 -4.194714902e+00 -4.230817130e+00 -4.157624732e+00 2.36 -4.149608326e+00 -4.258084255e+00 -4.239013254e+00 2.38 -4.099328646e+00 -4.279169719e+00 -4.302704184e+00 2.40 -4.044827336e+00 -4.294944097e+00 -4.351182560e+00 2.42 -3.986387492e+00 -4.305622144e+00 -4.386857558e+00 2.44 -3.924192404e+00 -4.311021196e+00 -4.412067973e+00 2.46 -3.858523042e+00 -4.310827732e+00 -4.428715851e+00 2.48 -3.789725117e+00 -4.305569433e+00 -4.437533625e+00 2.50 -3.718436075e+00 -4.295971337e+00 -4.438902358e+00 2.52 -3.645255276e+00 -4.281946837e+00 -4.432600550e+00 2.54 -3.570592568e+00 -4.262943122e+00 -4.418202630e+00 2.56 -3.494824935e+00 -4.238338381e+00 -4.395852184e+00 2.58 -3.418091478e+00 -4.207634145e+00 -4.366241037e+00 2.60 -3.340637804e+00 -4.170697325e+00 -4.330459872e+00 2.62 -3.262835452e+00 -4.127600346e+00 -4.289621543e+00 2.64 -3.185047824e+00 -4.078590271e+00 -4.244504802e+00 2.66 -3.107327433e+00 -4.024064994e+00 -4.195945135e+00 2.68 -3.028829940e+00 -3.964378543e+00 -4.144880770e+00 2.70 -2.948743478e+00 -3.899916086e+00 -4.092259916e+00 2.72 -2.866341315e+00 -3.831143358e+00 -4.038891008e+00 2.74 -2.781010928e+00 -3.758574885e+00 -3.985277217e+00 2.76 -2.692155198e+00 -3.682802909e+00 -3.931457723e+00 2.78 -2.599237547e+00 -3.604616575e+00 -3.876925902e+00 2.80 -2.502119640e+00 -3.525084349e+00 -3.821183381e+00 2.82 -2.401060751e+00 -3.445311930e+00 -3.763766902e+00 2.84 -2.296829731e+00 -3.366219899e+00 -3.704251330e+00 2.86 -2.191181074e+00 -3.288373391e+00 -3.642379605e+00 2.88 -2.085892133e+00 -3.211854442e+00 -3.578077786e+00 2.90 -1.982395684e+00 -3.136351767e+00 -3.511416776e+00 2.92 -1.881736919e+00 -3.061261527e+00 -3.442534834e+00 2.94 -1.784447714e+00 -2.985421029e+00 -3.371467395e+00 2.96 -1.690648062e+00 -2.907721378e+00 -3.298259852e+00 2.98 -1.600369636e+00 -2.827430182e+00 -3.223072082e+00 3.00 -1.513647484e+00 -2.744211657e+00 -3.146161589e+00 3.02 -1.430468768e+00 -2.658070543e+00 -3.067205260e+00 3.04 -1.350826400e+00 -2.569259875e+00 -2.985786130e+00 3.06 -1.274746147e+00 -2.478019506e+00 -2.901788430e+00 3.08 -1.202283338e+00 -2.384427684e+00 -2.815263408e+00 3.10 -1.133548404e+00 -2.288522614e+00 -2.726242998e+00 3.12 -1.068619655e+00 -2.190635455e+00 -2.634854245e+00 3.14 -1.007388978e+00 -2.091830871e+00 -2.541209322e+00 3.16 -9.496900774e-01 -1.993242028e+00 -2.445313197e+00 3.18 -8.954117490e-01 -1.895908207e+00 -2.347053706e+00 3.20 -8.444448287e-01 -1.800649116e+00 -2.246388631e+00 3.22 -7.966977812e-01 -1.708079507e+00 -2.144311921e+00 3.24 -7.520932253e-01 -1.618701728e+00 -2.041914309e+00 3.26 -7.105181513e-01 -1.532921665e+00 -1.940066977e+00 3.28 -6.718214463e-01 -1.451052353e+00 -1.839555559e+00 3.30 -6.358311544e-01 -1.373303377e+00 -1.741098788e+00 3.32 -6.023553762e-01 -1.299760649e+00 -1.645351201e+00 3.34 -5.711840205e-01 -1.230366590e+00 -1.552900571e+00 3.36 -5.420932868e-01 -1.164945585e+00 -1.464261282e+00 3.38 -5.148588753e-01 -1.103217731e+00 -1.379746113e+00 3.40 -4.892624237e-01 -1.044854574e+00 -1.299427505e+00 3.42 -4.650855520e-01 -9.896267717e-01 -1.223309372e+00 3.44 -4.421364790e-01 -9.373241895e-01 -1.151354902e+00 3.46 -4.202879999e-01 -8.877601045e-01 -1.083496113e+00 3.48 -3.994731494e-01 -8.407862295e-01 -1.019641891e+00 3.50 -3.796377062e-01 -7.962935311e-01 -9.596844365e-01 3.52 -3.607282009e-01 -7.542044890e-01 -9.035038297e-01 3.54 -3.426918256e-01 -7.144622314e-01 -8.509724092e-01 3.56 -3.254766972e-01 -6.770194384e-01 -8.019571465e-01 3.58 -3.090315381e-01 -6.417945892e-01 -7.563223972e-01 3.60 -2.933058957e-01 -6.086448878e-01 -7.139309986e-01 3.62 -2.782499340e-01 -5.774215204e-01 -6.746460034e-01 3.64 -2.638145329e-01 -5.479817473e-01 -6.383264848e-01 3.66 -2.499509527e-01 -5.202194393e-01 -6.048164616e-01 3.68 -2.366109413e-01 -4.940420869e-01 -5.739590664e-01 3.70 -2.237469483e-01 -4.693579492e-01 -5.455955979e-01 3.72 -2.113113533e-01 -4.460759359e-01 -5.195545143e-01 3.74 -1.992566122e-01 -4.241058833e-01 -4.956636782e-01 3.76 -1.875462160e-01 -4.033582841e-01 -4.737533938e-01 3.78 -1.761895135e-01 -3.837445707e-01 -4.536558411e-01 3.80 -1.652086213e-01 -3.651767983e-01 -4.352027967e-01 3.82 -1.546259183e-01 -3.475678209e-01 -4.182221175e-01 3.84 -1.444641192e-01 -3.308313471e-01 -4.025332778e-01 3.86 -1.347466101e-01 -3.148860772e-01 -3.879498165e-01 3.88 -1.255002234e-01 -2.996877535e-01 -3.743261066e-01 3.90 -1.167427839e-01 -2.852108176e-01 -3.615300173e-01 3.92 -1.084594749e-01 -2.714300828e-01 -3.494303297e-01 3.94 -1.006287417e-01 -2.583209014e-01 -3.379400936e-01 3.96 -9.322875348e-02 -2.458598135e-01 -3.269849099e-01 3.98 -8.623740028e-02 -2.340230664e-01 -3.164938876e-01 4.00 -7.963216657e-02 -2.227860837e-01 -3.064018829e-01 4.02 -7.339031918e-02 -2.121238621e-01 -2.966507758e-01 4.04 -6.748881293e-02 -2.020105302e-01 -2.871886343e-01 4.06 -6.190468414e-02 -1.924196207e-01 -2.779688348e-01 4.08 -5.661581645e-02 -1.833237612e-01 -2.689482463e-01 4.10 -5.160010476e-02 -1.746949836e-01 -2.600861212e-01 4.12 -4.683556127e-02 -1.665041451e-01 -2.513398441e-01 4.14 -4.230036584e-02 -1.587079549e-01 -2.426490789e-01 4.16 -3.797378581e-02 -1.512407631e-01 -2.339456138e-01 4.18 -3.383687956e-02 -1.440341255e-01 -2.251611148e-01 4.20 -2.987469063e-02 -1.370261580e-01 -2.162385484e-01 4.22 -2.608377977e-02 -1.301950142e-01 -2.071819990e-01 4.24 -2.246847198e-02 -1.235317463e-01 -1.980161718e-01 4.26 -1.903951935e-02 -1.170265928e-01 -1.887657303e-01 4.28 -1.580094524e-02 -1.106691203e-01 -1.794552666e-01 4.30 -1.275405852e-02 -1.044482137e-01 -1.701093335e-01 4.32 -9.910366007e-03 -9.835234455e-02 -1.607524755e-01 4.34 -7.291358745e-03 -9.236972495e-02 -1.514092444e-01 4.36 -4.926544713e-03 -8.648847403e-02 -1.421040151e-01 4.38 -2.849454519e-03 -8.069713549e-02 -1.328612496e-01 4.40 -1.091718868e-03 -7.498496873e-02 -1.237053006e-01 4.42 3.237191559e-04 -6.934255159e-02 -1.146604467e-01 4.44 1.390225671e-03 -6.376249240e-02 -1.057509168e-01 4.46 2.123259007e-03 -5.824025979e-02 -9.700104044e-02 4.48 2.561500942e-03 -5.277508536e-02 -8.843477076e-02 4.50 2.784066791e-03 -4.737105842e-02 -8.007626194e-02 4.52 2.893093382e-03 -4.203835426e-02 -7.194949061e-02 4.54 2.954512033e-03 -3.679492656e-02 -6.407850348e-02 4.56 3.013805780e-03 -3.166693788e-02 -5.648764151e-02 4.58 3.108322414e-03 -2.668845170e-02 -4.920091398e-02 4.60 3.264730360e-03 -2.190060961e-02 -4.224191798e-02 4.62 3.498549942e-03 -1.735029238e-02 -3.563372348e-02 4.64 3.814686498e-03 -1.308762146e-02 -2.939894231e-02 4.66 4.209233407e-03 -9.162148300e-03 -2.355955405e-02 4.68 4.670836422e-03 -5.618869235e-03 -1.813713938e-02 4.70 5.181317590e-03 -2.493383514e-03 -1.315267278e-02 4.72 5.714278430e-03 1.919786607e-04 -8.626655992e-03 4.74 6.233974308e-03 2.431173951e-03 -4.578908554e-03 4.76 6.702520711e-03 4.235775143e-03 -1.027849753e-03 4.78 7.099110489e-03 5.648860207e-03 2.031858037e-03 4.80 7.404877064e-03 6.731485953e-03 4.629162814e-03 4.82 7.598684322e-03 7.527711247e-03 6.794586318e-03 4.84 7.661509449e-03 8.081663713e-03 8.559114537e-03 4.86 7.581468622e-03 8.437940262e-03 9.954475655e-03 4.88 7.357383857e-03 8.637795133e-03 1.101275596e-02 4.90 7.001012403e-03 8.717082225e-03 1.176658248e-02 4.92 6.537193850e-03 8.705005302e-03 1.224916503e-02 4.94 6.002049192e-03 8.623498967e-03 1.249391006e-02 4.96 5.429452664e-03 8.487246852e-03 1.253331387e-02 4.98 4.840766963e-03 8.319292666e-03 1.240617870e-02 5.00 4.258167168e-03 8.136558137e-03 1.217082388e-02 5.02 3.703326923e-03 7.945605470e-03 1.187525837e-02 5.04 3.195208738e-03 7.746106805e-03 1.155575339e-02 5.06 2.748435605e-03 7.545497618e-03 1.123860509e-02 5.08 2.372412203e-03 7.354890381e-03 1.094192074e-02 5.10 2.071173101e-03 7.182308755e-03 1.067794710e-02 5.12 1.843467238e-03 7.033595775e-03 1.045495657e-02 5.14 1.683493348e-03 6.913241738e-03 1.027877619e-02 5.16 1.581475041e-03 6.825342651e-03 1.015446787e-02 5.18 1.524532358e-03 6.773915860e-03 1.008696303e-02 5.20 1.497691476e-03 6.763125634e-03 1.008153167e-02 5.22 1.492011990e-03 6.796917062e-03 1.014324808e-02 5.24 1.505950165e-03 6.878516283e-03 1.027614735e-02 5.26 1.537247406e-03 7.008359898e-03 1.048031638e-02 5.28 1.582372418e-03 7.181737610e-03 1.074838962e-02 5.30 1.636573535e-03 7.387678015e-03 1.106383745e-02 5.32 1.694006601e-03 7.608319424e-03 1.139994988e-02 5.34 1.747984247e-03 7.819231684e-03 1.172024709e-02 5.36 1.791413463e-03 7.991368824e-03 1.198136172e-02 5.38 1.817328989e-03 8.093777578e-03 1.213706183e-02 5.40 1.819546879e-03 8.097346391e-03 1.214385845e-02 5.42 1.793353928e-03 7.978819546e-03 1.196702221e-02 5.44 1.736126160e-03 7.724285651e-03 1.158581642e-02 5.46 1.647827093e-03 7.331967001e-03 1.099768353e-02 5.48 1.531279405e-03 6.813581375e-03 1.022028784e-02 5.50 1.392148724e-03 6.194175758e-03 9.291265471e-03 5.52 1.238678759e-03 5.510789483e-03 8.266220151e-03 5.54 1.078990753e-03 4.799942889e-03 7.199959291e-03 5.56 9.177042115e-04 4.082170040e-03 6.123298046e-03 5.58 7.595357403e-04 3.378373049e-03 5.067596056e-03 5.60 6.093387408e-04 2.710139728e-03 4.065237892e-03 5.62 4.715363934e-04 2.097126395e-03 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