# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-As # implementation = 2026--Park-J-H--Fe-Cu-As--LAMMPS--ipr1 # composition = As # 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 2026-06-16 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan 1.057325587e+03 nan nan nan nan 0.68 nan nan nan nan nan 9.916510762e+02 nan nan nan nan 0.70 nan nan nan nan nan 9.299340418e+02 nan nan 1.172372880e+03 nan 0.72 nan nan nan nan nan 8.719364894e+02 nan nan 1.094280435e+03 nan 0.74 nan nan nan nan nan 8.174350341e+02 nan nan 1.021229443e+03 nan 0.76 nan nan nan nan nan 7.662199843e+02 nan nan 9.529007671e+02 nan 0.78 nan 1.405184021e+03 nan nan nan 7.180944863e+02 1.244060374e+03 nan 8.889952191e+02 1.157236271e+03 0.80 nan 1.311334602e+03 nan nan nan 6.728737218e+02 1.165262372e+03 nan 8.292323192e+02 1.086555358e+03 0.82 nan 1.223453575e+03 nan nan nan 6.303841564e+02 1.091245895e+03 nan 7.733491374e+02 1.020013380e+03 0.84 nan 1.141176781e+03 1.436383172e+03 nan nan 5.904628352e+02 1.021729928e+03 nan 7.210992034e+02 9.573747393e+02 0.86 1.505182195e+03 1.064161486e+03 1.348910251e+03 1.503158138e+03 1.501134062e+03 5.529567223e+02 9.564495642e+02 1.424038136e+03 6.722514856e+02 8.984170045e+02 0.88 1.415797386e+03 9.920851549e+02 1.266501208e+03 1.413897825e+03 1.411998245e+03 5.177220807e+02 8.951551025e+02 1.337635272e+03 6.265894320e+02 8.429301841e+02 0.90 1.331443986e+03 9.246443034e+02 1.188875071e+03 1.329661386e+03 1.327878769e+03 4.846238903e+02 8.376111912e+02 1.256200496e+03 5.839100705e+02 7.907160360e+02 0.92 1.251851412e+03 8.615534081e+02 1.115765892e+03 1.250178688e+03 1.248505947e+03 4.535353025e+02 7.835960189e+02 1.179460898e+03 5.440231660e+02 7.415874184e+02 0.94 1.176763059e+03 8.025438774e+02 1.046921968e+03 1.175193547e+03 1.173624018e+03 4.243371264e+02 7.329005501e+02 1.107157969e+03 5.067504279e+02 6.953676736e+02 0.96 1.105935605e+03 7.473630808e+02 9.821051053e+02 1.104463038e+03 1.102990456e+03 3.969173488e+02 6.853278049e+02 1.039046872e+03 4.719247679e+02 6.518900485e+02 0.98 1.039138346e+03 6.957734315e+02 9.210899167e+02 1.037756832e+03 1.036375303e+03 3.711706814e+02 6.406921772e+02 9.748957347e+02 4.393896029e+02 6.109971448e+02 1.00 9.761525640e+02 6.475515208e+02 8.636631536e+02 9.748565631e+02 9.735605485e+02 3.469981376e+02 5.988187914e+02 9.144849978e+02 4.089982015e+02 5.725404009e+02 1.02 9.167709293e+02 6.024873007e+02 8.096230750e+02 9.155552332e+02 9.143395241e+02 3.243066351e+02 5.595428955e+02 8.576067768e+02 3.806130707e+02 5.363796026e+02 1.04 8.607969254e+02 5.603833113e+02 7.587788471e+02 8.596566377e+02 8.585163378e+02 3.030086233e+02 5.227092870e+02 8.040642662e+02 3.541053805e+02 5.023824191e+02 1.06 8.080443071e+02 5.210539534e+02 7.109499731e+02 8.069748251e+02 8.059053318e+02 2.830217352e+02 4.881717715e+02 7.536711704e+02 3.293544243e+02 4.704239671e+02 1.08 7.583365822e+02 4.843247999e+02 6.659657516e+02 7.573335800e+02 7.563305670e+02 2.642684606e+02 4.557926514e+02 7.062511620e+02 3.062471127e+02 4.403863964e+02 1.10 7.115065209e+02 4.500319475e+02 6.236647640e+02 7.105659322e+02 7.096253335e+02 2.466758417e+02 4.254422431e+02 6.616373684e+02 2.846774982e+02 4.121585004e+02 1.12 6.673956859e+02 4.180214039e+02 5.838943861e+02 6.665136894e+02 6.656316837e+02 2.301751883e+02 3.969984210e+02 6.196718839e+02 2.645463299e+02 3.856353467e+02 1.14 6.258539891e+02 3.881485101e+02 5.465103264e+02 6.250269938e+02 6.241999899e+02 2.147018129e+02 3.703461875e+02 5.802053054e+02 2.457606358e+02 3.607179293e+02 1.16 5.867392668e+02 3.602773950e+02 5.113761862e+02 5.859638981e+02 5.851885215e+02 2.001947823e+02 3.453772663e+02 5.430962920e+02 2.282333298e+02 3.373128384e+02 1.18 5.499168781e+02 3.342804611e+02 4.783630437e+02 5.491899654e+02 5.484630454e+02 1.865966884e+02 3.219897195e+02 5.082111465e+02 2.118828453e+02 3.153319501e+02 1.20 5.152593215e+02 3.100378995e+02 4.473490586e+02 5.145778858e+02 5.138964433e+02 1.738534334e+02 3.000875849e+02 4.754234179e+02 1.966327889e+02 2.946921320e+02 1.22 4.826458716e+02 2.874372315e+02 4.182190969e+02 4.820071140e+02 4.813683503e+02 1.619140304e+02 2.795805348e+02 4.446135240e+02 1.824116178e+02 2.753149659e+02 1.24 4.519622322e+02 2.663728778e+02 3.908643754e+02 4.513635236e+02 4.507648094e+02 1.507304185e+02 2.603835535e+02 4.156683926e+02 1.691523358e+02 2.571264848e+02 1.26 4.231002082e+02 2.467457508e+02 3.651821241e+02 4.225390788e+02 4.219779443e+02 1.402572902e+02 2.424166323e+02 3.884811215e+02 1.567922085e+02 2.400569255e+02 1.28 3.959573926e+02 2.284628710e+02 3.410752662e+02 3.954315225e+02 3.949056478e+02 1.304519315e+02 2.256044831e+02 3.629506547e+02 1.452724969e+02 2.240404940e+02 1.30 3.704368688e+02 2.114370050e+02 3.184521144e+02 3.699440792e+02 3.694512855e+02 1.212740724e+02 2.098762664e+02 3.389814762e+02 1.345382062e+02 2.090151444e+02 1.32 3.464469291e+02 1.955863242e+02 2.972260830e+02 3.459851736e+02 3.455234144e+02 1.126857483e+02 1.951653362e+02 3.164833181e+02 1.245378515e+02 1.949223697e+02 1.34 3.239008051e+02 1.808340836e+02 2.773154148e+02 3.234681621e+02 3.230355157e+02 1.046511702e+02 1.814089979e+02 2.953708843e+02 1.152232370e+02 1.817070041e+02 1.36 3.027164138e+02 1.671083181e+02 2.586429224e+02 3.023110785e+02 3.019057404e+02 9.713660350e+01 1.685482809e+02 2.755635879e+02 1.065492500e+02 1.693170366e+02 1.38 2.828161139e+02 1.543415570e+02 2.411357424e+02 2.824363920e+02 2.820566675e+02 9.011025493e+01 1.565277236e+02 2.569853022e+02 9.847366645e+01 1.577034342e+02 1.40 2.641264766e+02 1.424705550e+02 2.247251029e+02 2.637707771e+02 2.634150753e+02 8.354216601e+01 1.452951702e+02 2.395641241e+02 9.095696976e+01 1.468199759e+02 1.42 2.465780661e+02 1.314360382e+02 2.093461027e+02 2.462448952e+02 2.459117224e+02 7.740411317e+01 1.348015801e+02 2.232321500e+02 8.396218008e+01 1.366230946e+02 1.44 2.301052320e+02 1.211824654e+02 1.949375024e+02 2.297931874e+02 2.294811412e+02 7.166951369e+01 1.250008465e+02 2.079252624e+02 7.745469462e+01 1.270717289e+02 1.46 2.146459117e+02 1.116578027e+02 1.814415259e+02 2.143536772e+02 2.140614412e+02 6.631333685e+01 1.158496267e+02 1.935829288e+02 7.140213775e+01 1.181271823e+02 1.48 2.001414433e+02 1.028133117e+02 1.688036724e+02 1.998677830e+02 1.995941216e+02 6.131202002e+01 1.073071814e+02 1.801480090e+02 6.577422047e+01 1.097529904e+02 1.50 1.865363867e+02 9.460334952e+01 1.569725391e+02 1.862801410e+02 1.860238944e+02 5.664338910e+01 9.933522310e+01 1.675665744e+02 6.054260867e+01 1.019147959e+02 1.52 1.737783553e+02 8.698518119e+01 1.458996514e+02 1.735384356e+02 1.732985152e+02 5.228658311e+01 9.189777309e+01 1.557877348e+02 5.568079954e+01 9.458022962e+01 1.54 1.618178550e+02 7.991880213e+01 1.355393042e+02 1.615932397e+02 1.613686239e+02 4.822198259e+01 8.496102690e+01 1.447634756e+02 5.116400573e+01 8.771879895e+01 1.56 1.506081316e+02 7.336677171e+01 1.258484095e+02 1.503978621e+02 1.501875922e+02 4.443114144e+01 7.849322708e+01 1.344485021e+02 4.696904673e+01 8.130178189e+01 1.58 1.401050264e+02 6.729405626e+01 1.167863535e+02 1.399082031e+02 1.397113795e+02 4.089672220e+01 7.246454340e+01 1.248000930e+02 4.307424706e+01 7.530212739e+01 1.60 1.302668386e+02 6.166788144e+01 1.083148606e+02 1.300826174e+02 1.298983961e+02 3.760243438e+01 6.684695979e+01 1.157779608e+02 3.945934073e+01 6.969436084e+01 1.62 1.210541949e+02 5.645759325e+01 1.003978646e+02 1.208817838e+02 1.207093728e+02 3.453297580e+01 6.161416787e+01 1.073441196e+02 3.610538172e+01 6.445449508e+01 1.64 1.124299256e+02 5.163452723e+01 9.300138702e+01 1.122685817e+02 1.121072379e+02 3.167397672e+01 5.674146639e+01 9.946276013e+01 3.299466013e+01 5.955994616e+01 1.66 1.043589475e+02 4.717188546e+01 8.609342135e+01 1.042079737e+02 1.040570002e+02 2.901194675e+01 5.220566661e+01 9.210013078e+01 3.011062382e+01 5.498945390e+01 1.68 9.680815194e+01 4.304462083e+01 7.964382414e+01 9.666689443e+01 9.652563731e+01 2.653422430e+01 4.798500298e+01 8.522442513e+01 2.743780402e+01 5.072300675e+01 1.70 8.974629939e+01 3.922932819e+01 7.362421133e+01 8.961414489e+01 8.948199086e+01 2.422892845e+01 4.405904900e+01 7.880567544e+01 2.496174655e+01 4.674177092e+01 1.72 8.314391906e+01 3.570414195e+01 6.800786039e+01 8.302029235e+01 8.289666617e+01 2.208490840e+01 4.040863792e+01 7.281565155e+01 2.266894713e+01 4.302802339e+01 1.74 7.697321366e+01 3.244863987e+01 6.276961758e+01 7.685757524e+01 7.674193743e+01 2.009171506e+01 3.701578797e+01 6.722776519e+01 2.054679053e+01 3.956508866e+01 1.76 7.120796917e+01 2.944375255e+01 5.788581026e+01 7.109981313e+01 7.099165774e+01 1.823955256e+01 3.386363192e+01 6.201697937e+01 1.858349289e+01 3.633727901e+01 1.78 6.582346922e+01 2.667167834e+01 5.333416379e+01 6.572232112e+01 6.562117371e+01 1.651922385e+01 3.093635070e+01 5.715972241e+01 1.676805124e+01 3.332983808e+01 1.80 6.079641393e+01 2.411580346e+01 4.909372306e+01 6.070182891e+01 6.060724462e+01 1.492211341e+01 2.821911088e+01 5.263380671e+01 1.509019063e+01 3.052888776e+01 1.82 5.610484288e+01 2.176062681e+01 4.514477807e+01 5.601640383e+01 5.592796555e+01 1.344014616e+01 2.569800558e+01 4.841835168e+01 1.354031713e+01 2.792137767e+01 1.84 5.172806220e+01 1.959168936e+01 4.146879370e+01 5.164537807e+01 5.156269474e+01 1.206575472e+01 2.335999886e+01 4.449371087e+01 1.210947564e+01 2.549503783e+01 1.86 4.764657532e+01 1.759550790e+01 3.804834310e+01 4.756927950e+01 4.749198450e+01 1.079184832e+01 2.119287520e+01 4.084140282e+01 1.078930809e+01 2.323833373e+01 1.88 4.384201746e+01 1.575951270e+01 3.486704487e+01 4.376976628e+01 4.369751595e+01 9.611783682e+00 1.918518646e+01 3.744404586e+01 9.572014925e+00 2.114042413e+01 1.90 4.029709341e+01 1.407198905e+01 3.190950350e+01 4.022956475e+01 4.016203694e+01 8.519337410e+00 1.732620362e+01 3.428529613e+01 8.450318987e+00 1.919112099e+01 1.92 3.699551870e+01 1.252202230e+01 2.916125315e+01 3.693241062e+01 3.686930340e+01 7.508680103e+00 1.560589096e+01 3.134978909e+01 7.417431727e+00 1.738085184e+01 1.94 3.392196377e+01 1.109944633e+01 2.660870446e+01 3.386299330e+01 3.380402370e+01 6.574351969e+00 1.401484345e+01 2.862308413e+01 6.467021523e+00 1.570062410e+01 1.96 3.106200109e+01 9.794795025e+00 2.423909426e+01 3.100690303e+01 3.095180585e+01 5.711239874e+00 1.254425126e+01 2.609161214e+01 5.593184001e+00 1.414199154e+01 1.98 2.840205511e+01 8.599252766e+00 2.204043805e+01 2.835058097e+01 2.829910770e+01 4.914555820e+00 1.118587149e+01 2.374262592e+01 4.790414261e+00 1.269702252e+01 2.00 2.592935477e+01 7.504615835e+00 2.000148507e+01 2.588127169e+01 2.583318948e+01 4.179816672e+00 9.931990120e+00 2.156415330e+01 4.053580835e+00 1.135827008e+01 2.02 2.363188868e+01 6.503279748e+00 1.811167591e+01 2.358697848e+01 2.354206916e+01 3.502825185e+00 8.775389719e+00 1.954495279e+01 3.377901195e+00 1.011874369e+01 2.04 2.149836243e+01 5.588137856e+00 1.636110231e+01 2.145642073e+01 2.141447989e+01 2.879651665e+00 7.709319023e+00 1.767447160e+01 2.758828885e+00 8.971882585e+00 2.06 1.951815848e+01 4.752596893e+00 1.474046826e+01 1.947899378e+01 1.943982994e+01 2.305500467e+00 6.727464333e+00 1.594280601e+01 2.191801427e+00 7.911530635e+00 2.08 1.768129789e+01 3.990529998e+00 1.324104982e+01 1.764473083e+01 1.760816461e+01 1.770268838e+00 5.823922573e+00 1.434066388e+01 1.673914069e+00 6.931912593e+00 2.10 1.597840433e+01 3.296232933e+00 1.185468647e+01 1.594426690e+01 1.591013030e+01 1.284056928e+00 4.993175960e+00 1.285932918e+01 1.201080579e+00 6.027611727e+00 2.12 1.440066987e+01 2.664144847e+00 1.057371464e+01 1.436880471e+01 1.433694037e+01 8.421513474e-01 4.230068167e+00 1.149062854e+01 7.698284583e-01 5.193548692e+00 2.14 1.293982269e+01 2.089394278e+00 9.390950326e+00 1.291008243e+01 1.288034297e+01 4.378796854e-01 3.529781906e+00 1.022689956e+01 3.775459796e-01 4.424961617e+00 2.16 1.158809647e+01 1.568276688e+00 8.299666560e+00 1.156034311e+01 1.153259053e+01 6.860218579e-02 2.887817842e+00 9.060960937e+00 2.096683512e-02 3.717387317e+00 2.18 1.033820148e+01 1.095956677e+00 7.293562709e+00 1.031230580e+01 1.028641088e+01 -2.681500342e-01 2.299974757e+00 7.986083396e+00 -3.026181014e-01 3.066643568e+00 2.20 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