# 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-Bi # implementation = 2026--Park-J-H--Fe-Cu-Bi--LAMMPS--ipr1 # composition = Bi3Fe # 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 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 7.174961937e+02 nan nan 0.80 6.830546217e+02 nan nan 0.82 6.502546143e+02 nan nan 0.84 6.190181751e+02 6.002191707e+02 nan 0.86 5.892709903e+02 5.723900322e+02 6.496404627e+02 0.88 5.609422364e+02 5.458380896e+02 6.159014587e+02 0.90 5.339643198e+02 5.205048799e+02 5.827972372e+02 0.92 5.082723474e+02 4.963346084e+02 5.504116221e+02 0.94 4.838028473e+02 4.732740267e+02 5.188632548e+02 0.96 4.604908821e+02 4.512723181e+02 4.882898089e+02 0.98 4.382645627e+02 4.302809865e+02 4.588312031e+02 1.00 4.170365941e+02 4.102537508e+02 4.306145522e+02 1.02 3.966941865e+02 3.911464449e+02 4.037428384e+02 1.04 3.770910050e+02 3.729169198e+02 3.782882117e+02 1.06 3.580465887e+02 3.555249474e+02 3.542898010e+02 1.08 3.393583394e+02 3.389321109e+02 3.317551970e+02 1.10 3.208279323e+02 3.231016423e+02 3.106644329e+02 1.12 3.022982567e+02 3.079981077e+02 2.909752878e+02 1.14 2.836908479e+02 2.935867555e+02 2.726289464e+02 1.16 2.650305615e+02 2.798322648e+02 2.555553371e+02 1.18 2.464468849e+02 2.666966620e+02 2.396777595e+02 1.20 2.281496875e+02 2.541364130e+02 2.249166333e+02 1.22 2.103872967e+02 2.420991724e+02 2.111923636e+02 1.24 1.934008599e+02 2.305212526e+02 1.984274056e+02 1.26 1.773880770e+02 2.193272942e+02 1.865476574e+02 1.28 1.624832760e+02 2.084335667e+02 1.754833187e+02 1.30 1.487537657e+02 1.977556145e+02 1.651693437e+02 1.32 1.362078443e+02 1.872196039e+02 1.555456007e+02 1.34 1.248086286e+02 1.767750757e+02 1.465568265e+02 1.36 1.144889418e+02 1.664055497e+02 1.381524467e+02 1.38 1.051643911e+02 1.561333403e+02 1.302863132e+02 1.40 9.674344834e+01 1.460164441e+02 1.229163970e+02 1.42 8.913445823e+01 1.361379914e+02 1.160044624e+02 1.44 8.225004192e+01 1.265912959e+02 1.095157404e+02 1.46 7.600953629e+01 1.174647175e+02 1.034186129e+02 1.48 7.034007120e+01 1.088299545e+02 9.768431456e+01 1.50 6.517677093e+01 1.007355888e+02 9.228665601e+01 1.52 6.046243564e+01 9.320578816e+01 8.720176946e+01 1.54 5.614694618e+01 8.624281211e+01 8.240787792e+01 1.56 5.218654921e+01 7.983158053e+01 7.788508624e+01 1.58 4.854311813e+01 7.394481061e+01 7.361519330e+01 1.60 4.518344404e+01 6.854773856e+01 6.958152347e+01 1.62 4.207858444e+01 6.360194629e+01 6.576877576e+01 1.64 3.920328102e+01 5.906817698e+01 6.216288904e+01 1.66 3.653544823e+01 5.490823203e+01 5.875092162e+01 1.68 3.405572939e+01 5.108612928e+01 5.552094368e+01 1.70 3.174711424e+01 4.756871616e+01 5.246194119e+01 1.72 2.959461108e+01 4.432590739e+01 4.956373013e+01 1.74 2.758496655e+01 4.133068107e+01 4.681687967e+01 1.76 2.570642646e+01 3.855893059e+01 4.421264351e+01 1.78 2.394853187e+01 3.598923992e+01 4.174289835e+01 1.80 2.230194508e+01 3.360262616e+01 3.940008870e+01 1.82 2.075830121e+01 3.138227707e+01 3.717717736e+01 1.84 1.931008135e+01 2.931329920e+01 3.506760095e+01 1.86 1.795050416e+01 2.738248536e+01 3.306522983e+01 1.88 1.667343295e+01 2.557810486e+01 3.116433207e+01 1.90 1.547329612e+01 2.388971733e+01 2.935954095e+01 1.92 1.434501872e+01 2.230800917e+01 2.764582558e+01 1.94 1.328396371e+01 2.082465096e+01 2.601846439e+01 1.96 1.228588124e+01 1.943217363e+01 2.447302110e+01 1.98 1.134686492e+01 1.812386116e+01 2.300532303e+01 2.00 1.046331409e+01 1.689365783e+01 2.161144129e+01 2.02 9.631901016e+00 1.573608801e+01 2.028767294e+01 2.04 8.849542491e+00 1.464618673e+01 1.903052463e+01 2.06 8.113375160e+00 1.361943963e+01 1.783669781e+01 2.08 7.420733964e+00 1.265173082e+01 1.670307519e+01 2.10 6.769133338e+00 1.173929771e+01 1.562670839e+01 2.12 6.156250742e+00 1.087869167e+01 1.460480663e+01 2.14 5.579912193e+00 1.006674378e+01 1.363472643e+01 2.16 5.038079537e+00 9.300534945e+00 1.271396216e+01 2.18 4.528839194e+00 8.577369778e+00 1.184013724e+01 2.20 4.050392202e+00 7.894753734e+00 1.101099629e+01 2.22 3.601045358e+00 7.250373034e+00 1.022439762e+01 2.24 3.179203321e+00 6.642077040e+00 9.478306583e+00 2.26 2.783361544e+00 6.067862727e+00 8.770789191e+00 2.28 2.412099931e+00 5.525860988e+00 8.100006390e+00 2.30 2.064077111e+00 5.014324535e+00 7.464208657e+00 2.32 1.738025263e+00 4.531617182e+00 6.861731029e+00 2.34 1.432745421e+00 4.076204338e+00 6.290988472e+00 2.36 1.147103186e+00 3.646644555e+00 5.750471570e+00 2.38 8.800248127e-01 3.241582003e+00 5.238742513e+00 2.40 6.304936159e-01 2.859739740e+00 4.754431347e+00 2.42 3.975466603e-01 2.499913699e+00 4.296232475e+00 2.44 1.802717053e-01 2.160967291e+00 3.862901377e+00 2.46 -2.219562708e-02 1.841826551e+00 3.453251533e+00 2.48 -2.106744829e-01 1.541475762e+00 3.066151544e+00 2.50 -3.859412268e-01 1.258953501e+00 2.700522416e+00 2.52 -5.487317317e-01 9.933490560e-01 2.355335012e+00 2.54 -6.997435202e-01 7.437991664e-01 2.029607645e+00 2.56 -8.396377751e-01 5.094850573e-01 1.722403813e+00 2.58 -9.690412277e-01 2.896297277e-01 1.432830054e+00 2.60 -1.088547936e+00 8.349546622e-02 1.160033928e+00 2.62 -1.198720959e+00 -1.096184318e-01 9.032020921e-01 2.64 -1.300093944e+00 -2.903777659e-01 6.615584934e-01 2.66 -1.393172616e+00 -4.594153738e-01 4.343626442e-01 2.68 -1.478436201e+00 -6.173329285e-01 2.209079921e-01 2.70 -1.556338760e+00 -7.647026086e-01 2.052036730e-02 2.72 -1.627310462e+00 -9.020686511e-01 -1.674434881e-01 2.74 -1.691758793e+00 -1.029948801e+00 -3.435973229e-01 2.76 -1.750069697e+00 -1.148835666e+00 -5.085267093e-01 2.78 -1.802608661e+00 -1.259197984e+00 -6.627903143e-01 2.80 -1.849721753e+00 -1.361481815e+00 -8.069211271e-01 2.82 -1.891736598e+00 -1.456111661e+00 -9.414275883e-01 2.84 -1.928963310e+00 -1.543491518e+00 -1.066794569e+00 2.86 -1.961695385e+00 -1.624005873e+00 -1.183484683e+00 2.88 -1.990210537e+00 -1.698020644e+00 -1.291939127e+00 2.90 -2.014771502e+00 -1.765884065e+00 -1.392578634e+00 2.92 -2.035626802e+00 -1.827927531e+00 -1.485804406e+00 2.94 -2.053011469e+00 -1.884466394e+00 -1.571998986e+00 2.96 -2.067147736e+00 -1.935800721e+00 -1.651527086e+00 2.98 -2.078245690e+00 -1.982216012e+00 -1.724736388e+00 3.00 -2.086503900e+00 -2.023983884e+00 -1.791958298e+00 3.02 -2.092110007e+00 -2.061362723e+00 -1.853508677e+00 3.04 -2.095241291e+00 -2.094598298e+00 -1.909688532e+00 3.06 -2.096065204e+00 -2.123924355e+00 -1.960784685e+00 3.08 -2.094739885e+00 -2.149563174e+00 -2.007070401e+00 3.10 -2.091414638e+00 -2.171726109e+00 -2.048806004e+00 3.12 -2.086230400e+00 -2.190614092e+00 -2.086239448e+00 3.14 -2.079320174e+00 -2.206418125e+00 -2.119606882e+00 3.16 -2.070809446e+00 -2.219319741e+00 -2.149133174e+00 3.18 -2.060816583e+00 -2.229491447e+00 -2.175032424e+00 3.20 -2.049661062e+00 -2.237097147e+00 -2.197508446e+00 3.22 -2.040468876e+00 -2.242292545e+00 -2.216755238e+00 3.24 -2.012173169e+00 -2.245225530e+00 -2.232957423e+00 3.26 -1.875586023e+00 -2.246036543e+00 -2.246290673e+00 3.28 -1.842679263e+00 -2.244858927e+00 -2.256922120e+00 3.30 -1.829301266e+00 -2.241819265e+00 -2.265010744e+00 3.32 -1.815229131e+00 -2.237037694e+00 -2.270707741e+00 3.34 -1.800516301e+00 -2.230628216e+00 -2.274156884e+00 3.36 -1.785213334e+00 -2.222698984e+00 -2.275494861e+00 3.38 -1.769368056e+00 -2.213352660e+00 -2.274851598e+00 3.40 -1.753025701e+00 -2.203089224e+00 -2.272350576e+00 3.42 -1.736229052e+00 -2.194084693e+00 -2.268109121e+00 3.44 -1.719018563e+00 -2.177459953e+00 -2.262238694e+00 3.46 -1.701432486e+00 -2.126058764e+00 -2.254845159e+00 3.48 -1.683506980e+00 -2.102564500e+00 -2.246029046e+00 3.50 -1.665125097e+00 -2.081758497e+00 -2.235885796e+00 3.52 -1.638385211e+00 -2.060464570e+00 -2.224505998e+00 3.54 -1.561945669e+00 -2.038731113e+00 -2.211975621e+00 3.56 -1.313487658e+00 -2.016603881e+00 -2.198376223e+00 3.58 -9.169333559e-01 -1.994126116e+00 -2.183785163e+00 3.60 -9.048773819e-01 -1.971338664e+00 -2.168275795e+00 3.62 -8.927032459e-01 -1.948280084e+00 -2.151917662e+00 3.64 -8.804281105e-01 -1.924986764e+00 -2.134776671e+00 3.66 -8.680682946e-01 -1.901493015e+00 -2.116915266e+00 3.68 -8.556393056e-01 -1.877831178e+00 -2.098392596e+00 3.70 -8.431558692e-01 -1.854031716e+00 -2.079264667e+00 3.72 -8.306319589e-01 -1.830123302e+00 -2.059584496e+00 3.74 -8.180808245e-01 -1.806132909e+00 -2.039402252e+00 3.76 -8.055150194e-01 -1.782085894e+00 -2.018765391e+00 3.78 -7.929464272e-01 -1.758006073e+00 -1.997718789e+00 3.80 -7.803862873e-01 -1.733915800e+00 -1.976304868e+00 3.82 -7.678452196e-01 -1.709836039e+00 -1.954563708e+00 3.84 -7.553332489e-01 -1.685786430e+00 -1.932533167e+00 3.86 -7.428598273e-01 -1.661785362e+00 -1.910248986e+00 3.88 -7.304338574e-01 -1.637850026e+00 -1.887744891e+00 3.90 -7.180637136e-01 -1.613996487e+00 -1.865052694e+00 3.92 -7.045778293e-01 -1.588148411e+00 -1.840659373e+00 3.94 -6.746329191e-01 -1.532442813e+00 -1.792668021e+00 3.96 -5.833562614e-01 -1.356578674e+00 -1.633111657e+00 3.98 -3.474100883e-01 -8.492123537e-01 -1.081957083e+00 4.00 -2.796940398e-22 -5.750971950e-22 -6.382891939e-22 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 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