# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Jeong-G-U-Park-C-S-Do-H-S-et-al--Pd-Co # implementation = 2018--Jeong-G-U--Pd-Co--LAMMPS--ipr1 # composition = Co3Pd # 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 1.519779514e+03 nan nan 0.86 1.395680455e+03 nan nan 0.88 1.281360124e+03 nan nan 0.90 1.176066963e+03 nan nan 0.92 1.079105957e+03 1.421016738e+03 nan 0.94 9.898344620e+02 1.312815702e+03 1.573764845e+03 0.96 9.076583448e+02 1.212595097e+03 1.459112163e+03 0.98 8.320283919e+02 1.119778085e+03 1.352523565e+03 1.00 7.624369858e+02 1.033828849e+03 1.253445377e+03 1.02 6.984150165e+02 9.542497280e+02 1.161361169e+03 1.04 6.395290223e+02 8.805785353e+02 1.075789303e+03 1.06 5.853785346e+02 8.123860715e+02 9.962806267e+02 1.08 5.355936194e+02 7.492738039e+02 9.224163344e+02 1.10 4.898325951e+02 6.908717095e+02 8.538059510e+02 1.12 4.477799215e+02 6.368362658e+02 7.900854551e+02 1.14 4.091442380e+02 5.868485821e+02 7.309155215e+02 1.16 3.736565518e+02 5.406126591e+02 6.759798792e+02 1.18 3.410685534e+02 4.978537718e+02 6.249837750e+02 1.20 3.111510616e+02 4.583169626e+02 5.776525388e+02 1.22 2.836925785e+02 4.217656411e+02 5.337302420e+02 1.24 2.584979549e+02 3.879802810e+02 4.929784437e+02 1.26 2.353871520e+02 3.567572079e+02 4.551750194e+02 1.28 2.141940966e+02 3.279074723e+02 4.201130665e+02 1.30 1.947656201e+02 3.012558017e+02 3.875998817e+02 1.32 1.769604774e+02 2.766396253e+02 3.574560059e+02 1.34 1.606484380e+02 2.539081681e+02 3.295143318e+02 1.36 1.457094459e+02 2.329216082e+02 3.036192709e+02 1.38 1.320328412e+02 2.135502935e+02 2.796259748e+02 1.40 1.195166414e+02 1.956740139e+02 2.573996094e+02 1.42 1.080668749e+02 1.791813241e+02 2.368146756e+02 1.44 9.759696647e+01 1.639689150e+02 2.177543765e+02 1.46 8.802716719e+01 1.499410290e+02 2.001100260e+02 1.48 7.928402866e+01 1.370089171e+02 1.837804967e+02 1.50 7.129991630e+01 1.250903342e+02 1.686717054e+02 1.52 6.401255960e+01 1.141090701e+02 1.546961318e+02 1.54 5.736463650e+01 1.039945141e+02 1.417723705e+02 1.56 5.130338921e+01 9.468125071e+01 1.298247126e+02 1.58 4.578026937e+01 8.610868319e+01 1.187827548e+02 1.60 4.075061006e+01 7.822068522e+01 1.085810359e+02 1.62 3.617332305e+01 7.096527649e+01 9.915869683e+01 1.64 3.201061891e+01 6.429432179e+01 9.045916392e+01 1.66 2.822774884e+01 5.816325164e+01 8.242985360e+01 1.68 2.479276597e+01 5.253080278e+01 7.502189696e+01 1.70 2.167630535e+01 4.735877741e+01 6.818988296e+01 1.72 1.885138045e+01 4.261181958e+01 6.189161907e+01 1.74 1.629319579e+01 3.825720769e+01 5.608790812e+01 1.76 1.397897359e+01 3.426466194e+01 5.074234034e+01 1.78 1.188779420e+01 3.060616560e+01 4.582109955e+01 1.80 1.000044860e+01 2.725579913e+01 4.129278256e+01 1.82 8.299302554e+00 2.418958637e+01 3.712823086e+01 1.84 6.768171141e+00 2.138535172e+01 3.330037388e+01 1.86 5.392203231e+00 1.882258775e+01 2.978408293e+01 1.88 4.157774791e+00 1.648233232e+01 2.655603517e+01 1.90 3.052390691e+00 1.434705463e+01 2.359458691e+01 1.92 2.064594048e+00 1.240054957e+01 2.087965560e+01 1.94 1.183882798e+00 1.062783967e+01 1.839261001e+01 1.96 4.006327186e-01 9.015084299e+00 1.611616791e+01 1.98 -2.939734114e-01 7.549495306e+00 1.403430085e+01 2.00 -9.080111337e-01 6.219258978e+00 1.213214550e+01 2.02 -1.448874430e+00 5.013463593e+00 1.039592118e+01 2.04 -1.923331117e+00 3.922032291e+00 8.812853019e+00 2.06 -2.337573836e+00 2.935660864e+00 7.371100558e+00 2.08 -2.697267000e+00 2.045760090e+00 6.059691224e+00 2.10 -3.007590012e+00 1.244402294e+00 4.868458490e+00 2.12 -3.273277028e+00 5.242718456e-01 3.787984333e+00 2.14 -3.498653569e+00 -1.213807242e-01 2.809545708e+00 2.16 -3.687670173e+00 -6.987812189e-01 1.925064771e+00 2.18 -3.843933388e+00 -1.213671145e+00 1.127062587e+00 2.20 -3.970734239e+00 -1.671344176e+00 4.086160823e-01 2.22 -4.071074443e+00 -2.076679930e+00 -2.366819726e-01 2.24 -4.147690478e+00 -2.434175240e+00 -8.147601715e-01 2.26 -4.203075737e+00 -2.747973117e+00 -1.331103055e+00 2.28 -4.239500864e+00 -3.021889566e+00 -1.790783253e+00 2.30 -4.259032467e+00 -3.259438410e+00 -2.198491357e+00 2.32 -4.263550286e+00 -3.463854270e+00 -2.558563679e+00 2.34 -4.254762986e+00 -3.638113835e+00 -2.875008039e+00 2.36 -4.234222643e+00 -3.784955551e+00 -3.151527725e+00 2.38 -4.203338062e+00 -3.906897837e+00 -3.391543749e+00 2.40 -4.163386986e+00 -4.006255943e+00 -3.598215514e+00 2.42 -4.115527327e+00 -4.085157550e+00 -3.774460016e+00 2.44 -4.060807442e+00 -4.145557192e+00 -3.922969665e+00 2.46 -4.000175595e+00 -4.189249611e+00 -4.046228834e+00 2.48 -3.934488605e+00 -4.217882099e+00 -4.146529225e+00 2.50 -3.864519805e+00 -4.232965910e+00 -4.225984126e+00 2.52 -3.790966319e+00 -4.235886825e+00 -4.286541650e+00 2.54 -3.714455746e+00 -4.227914908e+00 -4.329997013e+00 2.56 -3.635552280e+00 -4.210213531e+00 -4.358003933e+00 2.58 -3.554762321e+00 -4.183847716e+00 -4.372085196e+00 2.60 -3.472539612e+00 -4.149791842e+00 -4.373642468e+00 2.62 -3.389289947e+00 -4.108936774e+00 -4.363965388e+00 2.64 -3.305375481e+00 -4.062096444e+00 -4.344239998e+00 2.66 -3.221118675e+00 -4.010013933e+00 -4.315556566e+00 2.68 -3.136805904e+00 -3.953367090e+00 -4.278916830e+00 2.70 -3.052690764e+00 -3.892773723e+00 -4.235240718e+00 2.72 -2.968997090e+00 -3.828796393e+00 -4.185372574e+00 2.74 -2.885921719e+00 -3.761946841e+00 -4.130086921e+00 2.76 -2.803637017e+00 -3.692690060e+00 -4.070093804e+00 2.78 -2.722293184e+00 -3.621448072e+00 -4.006043738e+00 2.80 -2.642020366e+00 -3.548603438e+00 -3.938532287e+00 2.82 -2.562930573e+00 -3.474502436e+00 -3.868104300e+00 2.84 -2.485119443e+00 -3.399458036e+00 -3.795257834e+00 2.86 -2.408667841e+00 -3.323752638e+00 -3.720447782e+00 2.88 -2.333643325e+00 -3.247640590e+00 -3.644089221e+00 2.90 -2.260101477e+00 -3.171350514e+00 -3.566560519e+00 2.92 -2.188087117e+00 -3.095087454e+00 -3.488206189e+00 2.94 -2.117635415e+00 -3.019034848e+00 -3.409339533e+00 2.96 -2.048772896e+00 -2.943356356e+00 -3.330245081e+00 2.98 -1.981518356e+00 -2.868197530e+00 -3.251180837e+00 3.00 -1.915883699e+00 -2.793687371e+00 -3.172380342e+00 3.02 -1.851874696e+00 -2.719939745e+00 -3.094054581e+00 3.04 -1.789491673e+00 -2.647054697e+00 -3.016393731e+00 3.06 -1.728730137e+00 -2.575119662e+00 -2.939568759e+00 3.08 -1.669581343e+00 -2.504210572e+00 -2.863732897e+00 3.10 -1.612032811e+00 -2.434392881e+00 -2.789022976e+00 3.12 -1.556068792e+00 -2.365722503e+00 -2.715572257e+00 3.14 -1.501670688e+00 -2.298246680e+00 -2.644768240e+00 3.16 -1.448817439e+00 -2.232004775e+00 -2.582363267e+00 3.18 -1.397485861e+00 -2.167029004e+00 -2.526729077e+00 3.20 -1.347650966e+00 -2.103345108e+00 -2.458997612e+00 3.22 -1.299286237e+00 -2.040972965e+00 -2.392670079e+00 3.24 -1.252363881e+00 -1.979927162e+00 -2.328064207e+00 3.26 -1.206855062e+00 -1.920217510e+00 -2.265221030e+00 3.28 -1.162730100e+00 -1.861849523e+00 -2.204172789e+00 3.30 -1.119958657e+00 -1.804824853e+00 -2.144943397e+00 3.32 -1.078509902e+00 -1.749141692e+00 -2.087548852e+00 3.34 -1.038352655e+00 -1.694795135e+00 -2.031997600e+00 3.36 -9.994555215e-01 -1.641777521e+00 -1.978290871e+00 3.38 -9.617870059e-01 -1.590078736e+00 -1.926422978e+00 3.40 -9.253156168e-01 -1.539686493e+00 -1.876381595e+00 3.42 -8.900099580e-01 -1.490586594e+00 -1.828148023e+00 3.44 -8.558388094e-01 -1.442763159e+00 -1.781697432e+00 3.46 -8.227711979e-01 -1.396198841e+00 -1.736999093e+00 3.48 -7.907764600e-01 -1.350875022e+00 -1.694016589e+00 3.50 -7.598242958e-01 -1.306771992e+00 -1.652708006e+00 3.52 -7.298848159e-01 -1.263869106e+00 -1.613026074e+00 3.54 -7.009285821e-01 -1.222144935e+00 -1.574918278e+00 3.56 -6.729266419e-01 -1.181577399e+00 -1.538326895e+00 3.58 -6.458505579e-01 -1.142143885e+00 -1.503188982e+00 3.60 -6.196565393e-01 -1.103821361e+00 -1.469436327e+00 3.62 -5.923955562e-01 -1.066586473e+00 -1.436995377e+00 3.64 -6.299220657e-01 -1.030415635e+00 -1.405787243e+00 3.66 -8.318867415e-01 -9.952851090e-01 -1.375727841e+00 3.68 -7.821341243e-01 -9.611710808e-01 -1.346728301e+00 3.70 -7.605332229e-01 -9.280497221e-01 -1.318695754e+00 3.72 -7.394879573e-01 -8.958972513e-01 -1.291534591e+00 3.74 -7.189873416e-01 -8.646899851e-01 -1.265148256e+00 3.76 -6.990203552e-01 -8.344043861e-01 -1.239441514e+00 3.78 -6.795759679e-01 -8.050171039e-01 -1.214323106e+00 3.80 -6.606431622e-01 -7.765050124e-01 -1.189708537e+00 3.82 -6.422109542e-01 -7.488512538e-01 -1.165522751e+00 3.84 -6.242684115e-01 -7.225614933e-01 -1.141702357e+00 3.86 -6.068046699e-01 -6.995837053e-01 -1.118197161e+00 3.88 -5.898089481e-01 -6.776002668e-01 -1.094970806e+00 3.90 -5.732705608e-01 -6.505120337e-01 -1.072000459e+00 3.92 -5.571789303e-01 -6.268632383e-01 -1.049275610e+00 3.94 -5.415226461e-01 -6.038836639e-01 -1.026796165e+00 3.96 -5.255009683e-01 -5.815555442e-01 -1.004570079e+00 3.98 -5.028385173e-01 -5.598614660e-01 -9.826108242e-01 4.00 -4.557778640e-01 -5.387843791e-01 -9.609349518e-01 4.02 -3.621586924e-01 -5.183076050e-01 -9.395599576e-01 4.04 -3.400667706e-01 -4.984148452e-01 -9.185025989e-01 4.06 -3.318473343e-01 -4.790901870e-01 -8.977777123e-01 4.08 -3.238154332e-01 -4.603181095e-01 -8.773975239e-01 4.10 -3.159674284e-01 -4.420834887e-01 -8.573713826e-01 4.12 -3.082997139e-01 -4.243716012e-01 -8.377058203e-01 4.14 -3.008087190e-01 -4.071681280e-01 -8.184048287e-01 4.16 -2.934909104e-01 -3.904591575e-01 -7.994702521e-01 4.18 -2.863427936e-01 -3.742311878e-01 -7.809022118e-01 4.20 -2.793609150e-01 -3.584711287e-01 -7.626995067e-01 4.22 -2.725418632e-01 -3.431663037e-01 -7.448599534e-01 4.24 -2.658822702e-01 -3.283044508e-01 -7.273806560e-01 4.26 -2.593788127e-01 -3.138737239e-01 -7.102582049e-01 4.28 -2.530282130e-01 -2.998626929e-01 -6.934888185e-01 4.30 -2.468272399e-01 -2.862603444e-01 -6.770684376e-01 4.32 -2.407727096e-01 -2.730560813e-01 -6.609927895e-01 4.34 -2.348614861e-01 -2.602397224e-01 -6.452574308e-01 4.36 -2.290904818e-01 -2.478015011e-01 -6.298577774e-01 4.38 -2.234566580e-01 -2.357320644e-01 -6.147891269e-01 4.40 -2.179570250e-01 -2.240224708e-01 -6.000466770e-01 4.42 -2.121201158e-01 -2.123983267e-01 -5.850696060e-01 4.44 -2.000364871e-01 -1.976138609e-01 -5.623437863e-01 4.46 -1.663688020e-01 -1.700167983e-01 -5.042270606e-01 4.48 -9.110066572e-02 -1.056033302e-01 -3.282017735e-01 4.50 -6.370990020e-23 -2.437658717e-22 -2.164560994e-22 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 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