# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Aslam-I-Baskes-M-I-Dickel-D-E-et-al--Fe-Mn-Si-C # implementation = 2019--Aslam-I--Fe-Mn-Si-C--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 2022-05-24 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 7.990466376e+02 nan nan nan nan 0.80 nan nan nan nan nan 7.322497220e+02 nan nan nan nan 0.82 nan nan nan nan nan 6.717554078e+02 nan nan 6.966373817e+02 nan 0.84 nan nan nan nan nan 6.167939254e+02 nan nan 6.360173801e+02 nan 0.86 nan nan nan nan nan 5.666798887e+02 nan nan 5.810690343e+02 nan 0.88 nan nan nan nan nan 5.209613359e+02 nan nan 5.312090162e+02 nan 0.90 nan 7.816964255e+02 nan nan nan 4.792518458e+02 nan nan 4.859399994e+02 7.177477905e+02 0.92 nan 7.187654316e+02 nan nan nan 4.412071169e+02 7.003601566e+02 nan 4.446300719e+02 6.606222720e+02 0.94 nan 6.615604017e+02 nan nan nan 4.065120979e+02 6.436320979e+02 nan 4.068229773e+02 6.086382209e+02 0.96 nan 6.094964609e+02 nan nan nan 3.748745067e+02 5.916331221e+02 nan 3.722307906e+02 5.611562425e+02 0.98 nan 5.620548611e+02 7.945001376e+02 nan nan 3.460219145e+02 5.439315606e+02 nan 3.406116331e+02 5.173419450e+02 1.00 nan 5.187747643e+02 7.356940028e+02 nan 7.689378905e+02 3.197006371e+02 5.001719112e+02 7.368577569e+02 3.117489187e+02 4.768218908e+02 1.02 7.351205196e+02 4.792461736e+02 6.818123987e+02 7.241410210e+02 7.131644061e+02 2.956754587e+02 4.600471999e+02 6.827905805e+02 2.854400746e+02 4.393430195e+02 1.04 6.821512499e+02 4.431038166e+02 6.323907015e+02 6.720138772e+02 6.618791361e+02 2.737295416e+02 4.232818025e+02 6.330974641e+02 2.614911319e+02 4.047068933e+02 1.06 6.333999647e+02 4.100218331e+02 5.870130225e+02 6.240435710e+02 6.146895766e+02 2.536642221e+02 3.896212626e+02 5.873972585e+02 2.397147950e+02 3.727440588e+02 1.08 5.885061882e+02 3.797091448e+02 5.453065681e+02 5.798737298e+02 5.712434570e+02 2.352985862e+02 3.587965717e+02 5.453469115e+02 2.199303925e+02 3.432988048e+02 1.10 5.471436986e+02 3.518780337e+02 5.069367288e+02 5.391819904e+02 5.312222714e+02 2.184687946e+02 3.303785617e+02 5.066355920e+02 2.019273472e+02 3.162208398e+02 1.12 5.090157447e+02 3.259987997e+02 4.716027940e+02 5.016752275e+02 4.943365193e+02 2.030271905e+02 3.041324173e+02 4.709803566e+02 1.853910239e+02 2.913614441e+02 1.14 4.738514565e+02 3.018021514e+02 4.390341979e+02 4.670859765e+02 4.603221403e+02 1.888412448e+02 2.798988336e+02 4.381228848e+02 1.701665123e+02 2.685723706e+02 1.16 4.414030696e+02 2.791601896e+02 4.089861839e+02 4.351696689e+02 4.289377607e+02 1.757923590e+02 2.575427213e+02 4.078269398e+02 1.561434226e+02 2.477063056e+02 1.18 4.114437187e+02 2.579846174e+02 3.810436390e+02 4.057024370e+02 3.999625097e+02 1.637743179e+02 2.369434259e+02 3.798763259e+02 1.432305913e+02 2.286181156e+02 1.20 3.837656145e+02 2.382053268e+02 3.548538004e+02 3.784793015e+02 3.731942165e+02 1.526917997e+02 2.179887841e+02 3.540731818e+02 1.313492832e+02 2.111663688e+02 1.22 3.581784789e+02 2.195545986e+02 3.302758904e+02 3.533126159e+02 3.484478656e+02 1.424593710e+02 2.005717685e+02 3.302364999e+02 1.204288085e+02 1.952148219e+02 1.24 3.345081662e+02 2.018674703e+02 3.072086793e+02 3.300306977e+02 3.255542369e+02 1.330005550e+02 1.845888296e+02 3.082008049e+02 1.104037980e+02 1.806337029e+02 1.26 3.125954100e+02 1.851284610e+02 2.855755343e+02 3.084765847e+02 3.043586712e+02 1.242469313e+02 1.699393051e+02 2.878149425e+02 1.012125275e+02 1.673007023e+02 1.28 2.922946661e+02 1.693393817e+02 2.653138172e+02 2.885068857e+02 2.847199298e+02 1.161372860e+02 1.564830835e+02 2.689409548e+02 9.279603687e+01 1.551016491e+02 1.30 2.734730316e+02 1.545070703e+02 2.463678517e+02 2.699907091e+02 2.665091317e+02 1.086168226e+02 1.440678802e+02 2.514509679e+02 8.509778991e+01 1.439308201e+02 1.32 2.560092267e+02 1.406357693e+02 2.286844844e+02 2.528086527e+02 2.496087517e+02 1.016364389e+02 1.326103364e+02 2.350101642e+02 7.806360058e+01 1.336909881e+02 1.34 2.397895714e+02 1.277224792e+02 2.122084528e+02 2.368487878e+02 2.339086117e+02 9.515104960e+01 1.220373445e+02 2.193569810e+02 7.164093601e+01 1.242918092e+02 1.36 2.244016182e+02 1.157168266e+02 1.966774359e+02 2.217002993e+02 2.189995284e+02 8.901715502e+01 1.121808813e+02 2.043256197e+02 6.570266924e+01 1.154968635e+02 1.38 2.095330629e+02 1.045706351e+02 1.818881049e+02 2.070524027e+02 2.045722365e+02 8.312540002e+01 1.029091904e+02 1.898108561e+02 6.014702263e+01 1.071231645e+02 1.40 1.951439906e+02 9.426014256e+01 1.678115929e+02 1.928665960e+02 1.905896464e+02 7.745773124e+01 9.418308682e+01 1.758141224e+02 5.494082490e+01 9.912720389e+01 1.42 1.812315919e+02 8.475784820e+01 1.544375910e+02 1.791413831e+02 1.770515751e+02 7.200883401e+01 8.597689157e+01 1.623566633e+02 5.006101445e+01 9.148714336e+01 1.44 1.678152790e+02 7.603219147e+01 1.417655119e+02 1.658973960e+02 1.639798736e+02 6.678109747e+01 7.827313782e+01 1.494688085e+02 4.549119087e+01 8.419514809e+01 1.46 1.549254189e+02 6.804776433e+01 1.297980866e+02 1.531661340e+02 1.514071736e+02 6.178082596e+01 7.105868340e+01 1.371824464e+02 4.121900030e+01 7.725149476e+01 1.48 1.425954884e+02 6.076590572e+01 1.185371929e+02 1.409821248e+02 1.393690528e+02 5.701559879e+01 6.432208616e+01 1.255261193e+02 3.723430930e+01 7.066037515e+01 1.50 1.308568421e+02 5.414549112e+01 1.079813313e+02 1.293776971e+02 1.278988141e+02 5.249250665e+01 5.805191652e+01 1.145220572e+02 3.352785179e+01 6.442700500e+01 1.52 1.197354379e+02 4.814379034e+01 9.812428695e+01 1.183797121e+02 1.170242216e+02 4.821704482e+01 5.223570937e+01 1.041846404e+02 3.009028586e+01 5.855572158e+01 1.54 1.092500119e+02 4.271730635e+01 8.895462917e+01 1.080077428e+02 1.067656848e+02 4.419249219e+01 4.685924762e+01 9.451988562e+01 2.691176553e+01 5.304883016e+01 1.56 9.941129740e+01 3.782255714e+01 8.045577919e+01 9.827329739e+01 9.713548661e+01 4.041964091e+01 4.190634409e+01 8.552562497e+01 2.398177044e+01 4.790596942e+01 1.58 9.022193883e+01 3.341676114e+01 7.260644433e+01 8.917973763e+01 8.813770601e+01 3.689677135e+01 3.735898531e+01 7.719210703e+01 2.128907806e+01 4.312371589e+01 1.60 8.167687857e+01 2.945840468e+01 6.538127175e+01 8.072266984e+01 7.976861298e+01 3.361979360e+01 3.319761188e+01 6.950285070e+01 1.882183020e+01 3.869537206e+01 1.62 7.376412840e+01 2.590769511e+01 5.875160912e+01 7.289071989e+01 7.201744733e+01 3.058250198e+01 2.940146980e+01 6.243570035e+01 1.656766109e+01 3.461123073e+01 1.64 6.646573146e+01 2.272690380e+01 5.268629684e+01 6.566649887e+01 6.486738788e+01 2.777689593e+01 2.594898524e+01 5.596393759e+01 1.451386802e+01 3.085900609e+01 1.66 5.975879823e+01 1.988060867e+01 4.715244988e+01 5.902764215e+01 5.829659476e+01 2.519347884e+01 2.281813201e+01 5.005736762e+01 1.264754637e+01 2.742430750e+01 1.68 5.361654308e+01 1.733584256e+01 4.211617977e+01 5.294784904e+01 5.227925209e+01 2.282158582e+01 1.998677850e+01 4.468333518e+01 1.095573718e+01 2.429111849e+01 1.70 4.800927529e+01 1.506217134e+01 3.754324084e+01 4.739787670e+01 4.678656479e+01 2.064970481e+01 1.743299910e+01 3.980764375e+01 9.425570948e+00 2.144225732e+01 1.72 4.290531207e+01 1.303171426e+01 3.339959054e+01 4.234645584e+01 4.178767692e+01 1.866577231e+01 1.513534297e+01 3.539536316e+01 8.044389178e+00 1.885980233e+01 1.74 3.827179460e+01 1.121910558e+01 2.965186056e+01 3.776110924e+01 3.725049281e+01 1.685743744e+01 1.307305730e+01 3.141151986e+01 6.799838815e+00 1.652547230e+01 1.76 3.407539908e+01 9.601415521e+00 2.626774078e+01 3.360886522e+01 3.314239275e+01 1.521229152e+01 1.122626464e+01 2.782167200e+01 5.679936295e+00 1.442095730e+01 1.78 3.028293988e+01 8.158040412e+00 2.321628043e+01 2.985686287e+01 2.943084051e+01 1.371806225e+01 9.576052043e+00 2.459237530e+01 4.673111580e+00 1.252819831e+01 1.80 2.686186826e+01 6.870567371e+00 2.046811392e+01 2.647285289e+01 2.608388613e+01 1.236277352e+01 8.104462586e+00 2.169154244e+01 3.768154583e+00 1.082961696e+01 1.82 2.378067250e+01 5.722534007e+00 1.799561933e+01 2.342559956e+01 2.307056982e+01 1.113487285e+01 6.794584719e+00 1.908870779e+01 2.954015336e+00 9.308298200e+00 1.84 2.100918794e+01 4.699130739e+00 1.577301817e+01 2.068519253e+01 2.036123548e+01 1.002332917e+01 5.630594787e+00 1.675521862e+01 2.219526676e+00 7.948129702e+00 1.86 1.851882660e+01 3.787067154e+00 1.377642448e+01 1.822327811e+01 1.792776365e+01 9.017703933e+00 4.597779779e+00 1.466436362e+01 1.552910882e+00 6.733906461e+00 1.88 1.628273596e+01 2.974467932e+00 1.198384676e+01 1.601321954e+01 1.574373328e+01 8.108196259e+00 3.682550689e+00 1.279143933e+01 9.405804122e-01 5.651429224e+00 1.90 1.427589660e+01 2.250767542e+00 1.037516599e+01 1.403019603e+01 1.378452217e+01 7.285673506e+00 2.872439189e+00 1.111375912e+01 3.636715116e-01 4.687515984e+00 1.92 1.247516892e+01 1.606604248e+00 8.932056970e+00 1.225125081e+01 1.202735633e+01 6.541685004e+00 2.156076344e+00 9.610623497e+00 -2.165900062e-01 3.829991512e+00 1.94 1.085929785e+01 1.033714689e+00 7.637785050e+00 1.065529705e+01 1.045131713e+01 5.868459504e+00 1.523154852e+00 8.263263507e+00 -1.594152948e+00 3.067683532e+00 1.96 9.408883743e+00 5.248315259e-01 6.477083618e+00 9.223089841e+00 9.037314372e+00 5.258891659e+00 9.643808040e-01 7.054760719e+00 -2.155234907e+00 2.390402875e+00 1.98 8.106325999e+00 7.356628075e-02 5.436093385e+00 7.937170902e+00 7.768032059e+00 4.706519700e+00 4.714177147e-01 5.969950046e+00 -2.334054431e+00 1.788910419e+00 2.00 6.935746490e+00 -3.257933346e-01 4.502292519e+00 6.781792949e+00 6.627853724e+00 4.205496627e+00 3.682552837e-02 4.995311009e+00 -2.439704405e+00 1.254874323e+00 2.02 5.882898488e+00 -6.784140702e-01 3.664418889e+00 5.742829519e+00 5.602773142e+00 3.750556805e+00 -3.460031870e-01 4.118852095e+00 -2.509337161e+00 7.808203797e-01 2.04 4.935065207e+00 -9.889643732e-01 2.912386947e+00 4.807674336e+00 4.680294527e+00 3.336979314e+00 -6.829083498e-01 3.329991606e+00 -2.556216328e+00 3.600775153e-01 2.06 4.080952683e+00 -1.261655639e+00 2.237202263e+00 3.965134958e+00 3.849326935e+00 2.960549601e+00 -9.790271009e-01 2.619438333e+00 -2.586925073e+00 -1.327917893e-02 2.08 3.310579952e+00 -1.500281228e+00 1.630875553e+00 3.205323660e+00 3.100075866e+00 2.617520403e+00 -1.238858901e+00 1.979074294e+00 -2.605384433e+00 -3.444866099e-01 2.10 2.615168909e+00 -1.708253189e+00 1.086337657e+00 2.519547949e+00 2.423934421e+00 2.304572720e+00 -1.466348960e+00 1.401841216e+00 -2.614204903e+00 -6.381515951e-01 2.12 1.987036459e+00 -1.888636581e+00 5.973571113e-01 1.900203319e+00 1.813376665e+00 2.018777678e+00 -1.664953690e+00 8.816321662e-01 -2.615248285e+00 -8.983074622e-01 2.14 1.419490045e+00 -2.044180892e+00 1.584609266e-01 1.340669329e+00 1.261854265e+00 1.757543045e+00 -1.837697081e+00 4.131825339e-01 -2.609895103e+00 -1.128468721e+00 2.16 9.067277861e-01 -2.177330329e+00 -2.351406855e-01 8.352102714e-01 7.636976699e-01 1.518442122e+00 -1.987228873e+00 -8.110374909e-03 -2.599178532e+00 -1.331683218e+00 2.18 4.437442584e-01 -2.290252512e+00 -5.876250444e-01 3.788814128e-01 3.140228294e-01 1.299859640e+00 -2.115863489e+00 -3.863560130e-01 -2.583885104e+00 -1.510581291e+00 2.20 2.623968009e-02 -2.384891912e+00 -9.026247387e-01 -3.256137101e-02 -9.135873363e-02 1.099942907e+00 -2.225616668e+00 -7.252308615e-01 -2.564618587e+00 -1.667423033e+00 2.22 -3.495382103e-01 -2.463002582e+00 -1.183339591e+00 -4.028193160e-01 -4.560972384e-01 9.171296221e-01 -2.318263976e+00 -1.028047227e+00 -2.541853598e+00 -1.804179062e+00 2.24 -6.870095791e-01 -2.526185228e+00 -1.432686235e+00 -7.352658210e-01 -7.835193236e-01 7.500214851e-01 -2.395417884e+00 -1.297839799e+00 -2.516000939e+00 -1.922639786e+00 2.26 -9.893252558e-01 -2.575904346e+00 -1.653345386e+00 -1.033008861e+00 -1.076690117e+00 5.973216323e-01 -2.458553499e+00 -1.537400097e+00 -2.487431521e+00 -2.024448201e+00 2.28 -1.259388159e+00 -2.613499424e+00 -1.847775306e+00 -1.298912096e+00 -1.338434026e+00 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