# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Al-Mn # implementation = 2025--Sharifi-H--Fe-Al-Mn--LAMMPS--ipr1 # composition = Mn # 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 2025-07-01 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 nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan 8.841489073e+02 nan nan nan nan 0.80 nan nan nan nan nan 8.120611275e+02 nan nan nan nan 0.82 nan nan nan nan nan 7.456433816e+02 nan nan 8.879513796e+02 nan 0.84 nan nan nan nan nan 6.844596916e+02 nan nan 8.108725874e+02 nan 0.86 nan nan nan nan nan 6.281070118e+02 nan nan 7.403396365e+02 nan 0.88 nan nan nan nan nan 5.762130520e+02 nan nan 6.758032862e+02 nan 0.90 nan 1.314747506e+03 nan nan nan 5.284338284e+02 nan nan 6.167600390e+02 8.914892244e+02 0.92 nan 1.196898139e+03 nan nan nan 4.844514762e+02 9.176964319e+02 nan 5.627484253e+02 8.195926488e+02 0.94 nan 1.089394530e+03 nan nan nan 4.439722649e+02 8.401543705e+02 nan 5.133455112e+02 7.533389159e+02 0.96 nan 9.913415303e+02 nan nan nan 4.067247804e+02 7.690158945e+02 nan 4.681644951e+02 6.922937309e+02 0.98 nan 9.019206497e+02 1.189258837e+03 nan nan 3.724582512e+02 7.037596169e+02 nan 4.268496276e+02 6.360557508e+02 1.00 nan 8.203835425e+02 1.091355437e+03 nan 1.343811829e+03 3.409410006e+02 6.439062507e+02 1.234881282e+03 3.890745937e+02 5.842541082e+02 1.02 1.237232192e+03 7.460460388e+02 1.001332999e+03 1.237013021e+03 1.236793850e+03 3.119590149e+02 5.890152235e+02 1.134483684e+03 3.545408135e+02 5.365461220e+02 1.04 1.138519246e+03 6.782826833e+02 9.185669522e+02 1.138305040e+03 1.138090834e+03 2.853146179e+02 5.386815679e+02 1.042047937e+03 3.229748741e+02 4.926151772e+02 1.06 1.047487162e+03 6.165217358e+02 8.424816880e+02 1.047277836e+03 1.047068510e+03 2.608252418e+02 4.925371713e+02 9.569542342e+02 2.941262978e+02 4.521687647e+02 1.08 9.635493715e+02 5.602405960e+02 7.725467500e+02 9.633448427e+02 9.631403139e+02 2.383222910e+02 4.502431145e+02 8.786303383e+02 2.677655658e+02 4.149365807e+02 1.10 8.861635551e+02 5.089616146e+02 7.082733188e+02 8.859637418e+02 8.857639285e+02 2.176500880e+02 4.114770422e+02 8.065482908e+02 2.436823447e+02 3.806954032e+02 1.12 8.148281689e+02 4.622482608e+02 6.492109691e+02 8.146329905e+02 8.144378122e+02 1.986648993e+02 3.759467407e+02 7.402204254e+02 2.216838813e+02 3.492136719e+02 1.14 7.490793935e+02 4.197016132e+02 5.949446785e+02 7.488887709e+02 7.486981483e+02 1.812340327e+02 3.433861149e+02 6.791962538e+02 2.015935399e+02 3.202479034e+02 1.16 6.884884792e+02 3.809571497e+02 5.450920680e+02 6.883023341e+02 6.881161891e+02 1.652350024e+02 3.135517958e+02 6.230601948e+02 1.832494648e+02 2.935900556e+02 1.18 6.326591025e+02 3.456818084e+02 4.993008563e+02 6.324773583e+02 6.322956140e+02 1.505547565e+02 2.862205885e+02 5.714288232e+02 1.665033551e+02 2.690570858e+02 1.20 5.812249303e+02 3.135712989e+02 4.572465120e+02 5.810475111e+02 5.808700918e+02 1.370889620e+02 2.611874721e+02 5.239483638e+02 1.512193405e+02 2.464843300e+02 1.22 5.338473692e+02 2.843476410e+02 4.186300872e+02 5.336742004e+02 5.335010316e+02 1.247413437e+02 2.382627544e+02 4.802923978e+02 1.372729492e+02 2.257214291e+02 1.24 4.902134869e+02 2.577570248e+02 3.831762197e+02 4.900444951e+02 4.898755033e+02 1.134230725e+02 2.177368162e+02 4.401597587e+02 1.245480296e+02 2.066298227e+02 1.26 4.500340900e+02 2.341485369e+02 3.506312904e+02 4.498692029e+02 4.497043158e+02 1.030521996e+02 1.996766094e+02 4.032725958e+02 1.135886878e+02 1.890811851e+02 1.28 4.130419453e+02 2.147350065e+02 3.207617229e+02 4.128810917e+02 4.127202381e+02 9.355313332e+01 1.832745845e+02 3.693745890e+02 1.045907236e+02 1.729564055e+02 1.30 3.789901337e+02 1.977520340e+02 2.933524162e+02 3.788332434e+02 3.786763531e+02 8.485615461e+01 1.680864656e+02 3.382293019e+02 9.657625016e+01 1.581448733e+02 1.32 3.476505270e+02 1.820654123e+02 2.682044421e+02 3.474975310e+02 3.473445350e+02 7.689696981e+01 1.538924155e+02 3.096186604e+02 8.904327551e+01 1.445439213e+02 1.34 3.188123773e+02 1.671542160e+02 2.457389856e+02 3.186632076e+02 3.185140379e+02 6.961629648e+01 1.405948841e+02 2.833415471e+02 8.178217121e+01 1.320583491e+02 1.36 2.922810121e+02 1.528406579e+02 2.262778991e+02 2.921356017e+02 2.919901914e+02 6.295948054e+01 1.281563746e+02 2.592125027e+02 7.474177155e+01 1.205999828e+02 1.38 2.678766251e+02 1.397313805e+02 2.087363299e+02 2.677349081e+02 2.675931912e+02 5.687614236e+01 1.165632338e+02 2.370605251e+02 6.794716003e+01 1.100872501e+02 1.40 2.454331579e+02 1.292050657e+02 1.924841702e+02 2.452950693e+02 2.451569808e+02 5.131984937e+01 1.058060149e+02 2.167279595e+02 6.145145650e+01 1.004447655e+02 1.42 2.247972640e+02 1.199349914e+02 1.772012236e+02 2.246627400e+02 2.245282161e+02 4.624781350e+01 9.587004868e+01 1.980694731e+02 5.530941789e+01 9.160292401e+01 1.44 2.058273510e+02 1.111020001e+02 1.627467832e+02 2.056963287e+02 2.055653063e+02 4.162061137e+01 8.672990401e+01 1.809511067e+02 4.956461940e+01 8.349750509e+01 1.46 1.883926929e+02 1.023644282e+02 1.490762329e+02 1.882651102e+02 1.881375275e+02 3.740192572e+01 7.873836038e+01 1.652493989e+02 4.424473395e+01 7.606929119e+01 1.48 1.723726092e+02 9.364807904e+01 1.361895667e+02 1.722484052e+02 1.721242011e+02 3.355830630e+01 7.197464371e+01 1.508442734e+02 3.936134032e+01 6.926370282e+01 1.50 1.576557056e+02 8.501350171e+01 1.241011573e+02 1.575348201e+02 1.574139346e+02 3.005894894e+01 6.597666616e+01 1.388540816e+02 3.491201178e+01 6.303045271e+01 1.52 1.441406979e+02 7.657555646e+01 1.128243454e+02 1.440230718e+02 1.439054458e+02 2.687600075e+01 6.047481843e+01 1.300434907e+02 3.088368945e+01 5.732398447e+01 1.54 1.325338263e+02 6.855697363e+01 1.028959539e+02 1.324194014e+02 1.323049766e+02 2.425049963e+01 5.559109647e+01 1.229929635e+02 2.745539003e+01 5.250236043e+01 1.56 1.252875370e+02 6.138169878e+01 9.600021641e+01 1.251762561e+02 1.250649751e+02 2.300542036e+01 5.210326224e+01 1.175614450e+02 2.523593421e+01 4.979680688e+01 1.58 1.202840480e+02 5.487472067e+01 9.075693080e+01 1.201758545e+02 1.200676610e+02 2.243937451e+01 4.930622128e+01 1.125734601e+02 2.368667965e+01 4.815223927e+01 1.60 1.159001520e+02 4.889325135e+01 8.610160096e+01 1.157949904e+02 1.156898287e+02 2.201557957e+01 4.668021975e+01 1.073200336e+02 2.239017507e+01 4.676069623e+01 1.62 1.112786009e+02 4.336293034e+01 8.146922139e+01 1.111764165e+02 1.110742322e+02 2.145237814e+01 4.396852262e+01 1.015221184e+02 2.111948051e+01 4.519710116e+01 1.64 1.060488463e+02 3.824727341e+01 7.661082583e+01 1.059495853e+02 1.058503242e+02 2.063013343e+01 4.107681212e+01 9.515377145e+01 1.976934158e+01 4.327959000e+01 1.66 1.001345513e+02 3.352864601e+01 7.146763347e+01 1.000381606e+02 9.994177001e+01 1.952705945e+01 3.800503622e+01 8.832471367e+01 1.830871795e+01 4.097324246e+01 1.68 9.362386015e+01 2.919693820e+01 6.608664849e+01 9.353028774e+01 9.343671533e+01 1.817597695e+01 3.480242268e+01 8.120480488e+01 1.674873849e+01 3.832520347e+01 1.70 8.668431889e+01 2.524325310e+01 6.056560788e+01 8.659351334e+01 8.650270780e+01 1.663595809e+01 3.153874536e+01 7.397757248e+01 1.512162577e+01 3.542213876e+01 1.72 7.950925782e+01 2.165678477e+01 5.501850470e+01 7.942116859e+01 7.933307937e+01 1.497446144e+01 2.828685499e+01 6.681353639e+01 1.346734993e+01 3.236342725e+01 1.74 7.228586375e+01 1.842363737e+01 4.955522005e+01 7.220044110e+01 7.211501845e+01 1.325669858e+01 2.511282824e+01 5.985665242e+01 1.182561465e+01 2.924520185e+01 1.76 6.517789448e+01 1.552676208e+01 4.427062537e+01 6.509508943e+01 6.501228439e+01 1.153988243e+01 2.207111044e+01 5.321915805e+01 1.023144792e+01 2.615171381e+01 1.78 5.831798944e+01 1.294646900e+01 3.923985095e+01 5.823775380e+01 5.815751816e+01 9.870674510e+00 1.920283079e+01 4.698154325e+01 8.713144488e+00 2.315149590e+01 1.80 5.180599851e+01 1.066109120e+01 3.451739047e+01 5.172828484e+01 5.165057117e+01 8.284638234e+00 1.653609406e+01 4.119540883e+01 7.291641463e+00 2.029653653e+01 1.82 4.571088124e+01 8.647698385e+00 3.013845721e+01 4.563564286e+01 4.556040447e+01 6.806881741e+00 1.408735400e+01 3.588773374e+01 5.980837680e+00 1.762323934e+01 1.84 4.007448691e+01 6.882870106e+00 2.612150458e+01 4.000167787e+01 3.992886882e+01 5.453327148e+00 1.186327818e+01 3.106559508e+01 4.788436343e+00 1.515432232e+01 1.86 3.491612776e+01 5.343372538e+00 2.247121637e+01 3.484570283e+01 3.477527790e+01 4.232243399e+00 9.862744111e+00 2.672076832e+01 3.717001314e+00 1.290111327e+01 1.88 3.023725806e+01 4.006700019e+00 1.918153122e+01 3.016917274e+01 3.010108743e+01 3.145813621e+00 8.078750024e+00 2.283388796e+01 2.765051962e+00 1.086589773e+01 1.90 2.602584234e+01 2.851477694e+00 1.623841073e+01 2.596005284e+01 2.589426335e+01 2.191598027e+00 6.500118275e+00 1.937801208e+01 1.928090831e+00 9.044110909e+00 1.92 2.226020752e+01 1.857737645e+00 1.362221816e+01 2.219667075e+01 2.213313399e+01 1.363824000e+00 5.112941750e+00 1.632155113e+01 1.199511288e+00 7.426271211e+00 1.94 1.891228714e+01 1.007085194e+00 1.130975789e+01 1.885096070e+01 1.878963426e+01 6.544727645e-01 3.901760350e+00 1.363058279e+01 5.713610231e-01 5.999609132e+00 1.96 1.595025000e+01 2.827363248e-01 9.275936701e+00 1.589109215e+01 1.583193430e+01 5.416015500e-02 2.850481090e+00 1.127061232e+01 3.495835722e-02 4.749387961e+00 1.98 1.334055683e+01 -3.305792756e-01 7.495055248e+00 1.328352652e+01 1.322649620e+01 -4.471738874e-01 1.943070091e+00 9.207856191e+00 -4.186286236e-01 3.659937998e+00 2.00 1.104950796e+01 -8.466760462e-01 5.941770226e+00 1.099456478e+01 1.093962160e+01 -8.597460416e-01 1.164041879e+00 7.410129433e+00 -7.982252142e-01 2.715435803e+00 2.02 9.044359608e+00 -1.277964087e+00 4.591777828e+00 8.991463812e+00 8.938568016e+00 -1.193554482e+00 4.987885124e-01 5.847415774e+00 -1.112297887e+00 1.900467414e+00 2.04 7.294085518e+00 -1.635535788e+00 3.422268364e+00 7.243197997e+00 7.192310477e+00 -1.458122271e+00 -6.619530138e-02 4.492190677e+00 -1.368802225e+00 1.200413777e+00 2.06 5.769855756e+00 -1.929269058e+00 2.412199162e+00 5.720938034e+00 5.672020313e+00 -1.662335044e+00 -5.432094845e-01 3.319558558e+00 -1.575071862e+00 6.016944965e-01 2.08 4.445297546e+00 -2.167878166e+00 1.542428017e+00 4.398311770e+00 4.351325994e+00 -1.814351230e+00 -9.433445938e-01 2.307255406e+00 -1.737752931e+00 9.190224176e-02 2.10 3.296592249e+00 -2.359008273e+00 7.957425998e-01 3.251501179e+00 3.206410109e+00 -1.921566493e+00 -1.276513058e+00 1.435557708e+00 -1.862795124e+00 -3.401450423e-01 2.12 2.302455073e+00 -2.509338109e+00 1.568162220e-01 2.259222076e+00 2.215989079e+00 -1.990616602e+00 -1.551499485e+00 6.871045890e-01 -1.955470207e+00 -7.044108251e-01 2.14 1.444033602e+00 -2.624679815e+00 -3.878865408e-01 1.402622643e+00 1.361211683e+00 -2.027406443e+00 -1.776032176e+00 4.660756621e-02 -2.020408748e+00 -1.009687508e+00 2.16 7.047540297e-01 -2.710073985e+00 -8.502417518e-01 6.651296608e-01 6.255052919e-01 -2.037155260e+00 -1.956867337e+00 -4.993868865e-01 -2.061648147e+00 -1.263670313e+00 2.18 7.011976025e-02 -2.769880768e+00 -1.240634250e+00 3.224711646e-02 -5.625527323e-03 -2.024456337e+00 -2.099885006e+00 -9.626900307e-01 -2.082691010e+00 -1.473055195e+00 2.20 -4.726103248e-01 -2.807877382e+00 -1.568166392e+00 -5.087655362e-01 -5.449207476e-01 -1.993375175e+00 -2.210221462e+00 -1.353688521e+00 -2.086592290e+00 -1.643697126e+00 2.22 -9.346969194e-01 -2.827343458e+00 -1.840852011e+00 -9.691684261e-01 -1.003639933e+00 -1.947530390e+00 -2.292382875e+00 -1.681533957e+00 -2.076033547e+00 -1.780745209e+00 2.24 -1.326091167e+00 -2.831149028e+00 -2.065745294e+00 -1.358912139e+00 -1.391733112e+00 -1.890138167e+00 -2.350321419e+00 -1.954286559e+00 -2.053370117e+00 -1.888725837e+00 2.26 -1.655582486e+00 -2.821800779e+00 -2.249052234e+00 -1.686785545e+00 -1.717988604e+00 -1.824047526e+00 -2.387501250e+00 -2.179041273e+00 -2.020671552e+00 -1.971614484e+00 2.28 -1.930929949e+00 -2.801463446e+00 -2.396229323e+00 -1.960547174e+00 -1.990164399e+00 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