# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2003--Mendelev-M-I-Han-S-Srolovitz-D-J-et-al--Fe-2 # implementation = EAM_MagneticCubic_MendelevHanSrolovitz_2003_Fe__MO_856295952425_002 # composition = Fe # 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 nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan 3.428803845e+02 nan nan nan nan 0.84 nan nan nan nan nan 3.218584513e+02 nan nan nan nan 0.86 nan nan nan nan nan 3.011886597e+02 nan nan 2.804928454e+02 nan 0.88 nan nan nan nan nan 2.812854681e+02 nan nan 2.643053465e+02 nan 0.90 nan nan nan nan nan 2.622992438e+02 nan nan 2.476147468e+02 nan 0.92 nan nan nan nan nan 2.442984189e+02 nan nan 2.309888139e+02 nan 0.94 nan 2.426756447e+02 nan nan nan 2.273042360e+02 2.553051829e+02 nan 2.147701801e+02 2.617922665e+02 0.96 nan 2.314371087e+02 nan nan nan 2.113687692e+02 2.440566476e+02 nan 1.991946403e+02 2.492107624e+02 0.98 nan 2.189105339e+02 nan nan nan 1.964890055e+02 2.315384082e+02 nan 1.843718882e+02 2.361213310e+02 1.00 nan 2.056666107e+02 nan nan nan 1.826137276e+02 2.183554762e+02 nan 1.703839743e+02 2.230729559e+02 1.02 nan 1.920496525e+02 2.422109939e+02 nan nan 1.695102445e+02 2.048260969e+02 nan 1.571462026e+02 2.099730990e+02 1.04 nan 1.783495371e+02 2.332333555e+02 nan nan 1.570015104e+02 1.911775501e+02 2.372933911e+02 1.445640381e+02 1.967501976e+02 1.06 2.374882595e+02 1.648640192e+02 2.225498626e+02 2.377812314e+02 2.381120141e+02 1.450824079e+02 1.776941722e+02 2.270920999e+02 1.326580043e+02 1.835932650e+02 1.08 2.275319489e+02 1.517925726e+02 2.106196683e+02 2.278531996e+02 2.282492699e+02 1.337195019e+02 1.645713056e+02 2.157584969e+02 1.214505325e+02 1.706903505e+02 1.10 2.164776467e+02 1.391950847e+02 1.979895889e+02 2.167576984e+02 2.171166418e+02 1.229616912e+02 1.519367861e+02 2.037835712e+02 1.109647045e+02 1.581953286e+02 1.12 2.047742970e+02 1.271912744e+02 1.850660513e+02 2.049724258e+02 2.052197205e+02 1.128200273e+02 1.398649189e+02 1.915039671e+02 1.012085377e+02 1.462107809e+02 1.14 1.927763839e+02 1.158096897e+02 1.721741613e+02 1.928664339e+02 1.929640545e+02 1.033051451e+02 1.284105230e+02 1.791322041e+02 9.215919821e+01 1.348046271e+02 1.16 1.807183347e+02 1.050898212e+02 1.595802215e+02 1.806967370e+02 1.806506204e+02 9.442658019e+01 1.176171614e+02 1.668143084e+02 8.380214953e+01 1.239873665e+02 1.18 1.686119314e+02 9.505720157e+01 1.474501851e+02 1.685150644e+02 1.683783382e+02 8.616143758e+01 1.075011892e+02 1.546376403e+02 7.610813361e+01 1.137125629e+02 1.20 1.566061260e+02 8.573984436e+01 1.358738265e+02 1.564738032e+02 1.563007493e+02 7.847847532e+01 9.806034482e+01 1.427720547e+02 6.903491025e+01 1.040093619e+02 1.22 1.448831134e+02 7.713245423e+01 1.249076446e+02 1.447442255e+02 1.445736180e+02 7.135176143e+01 8.928139957e+01 1.313510276e+02 6.254190684e+01 9.492829043e+01 1.24 1.335733933e+02 6.920866604e+01 1.145605854e+02 1.334469019e+02 1.333058883e+02 6.472991735e+01 8.112538627e+01 1.204718395e+02 5.657977908e+01 8.650204643e+01 1.26 1.227622024e+02 6.194311445e+01 1.047904458e+02 1.226659340e+02 1.225713014e+02 5.853500110e+01 7.356012499e+01 1.101929023e+02 5.107587946e+01 7.873406126e+01 1.28 1.125256645e+02 5.531487472e+01 9.560287406e+01 1.124757568e+02 1.124364377e+02 5.276913965e+01 6.657503692e+01 1.005503456e+02 4.600403849e+01 7.160458437e+01 1.30 1.029069618e+02 4.929747337e+01 8.698894372e+01 1.029100230e+02 1.029254865e+02 4.743526518e+01 6.015517977e+01 9.154482688e+01 4.134260567e+01 6.507758025e+01 1.32 9.390261510e+01 4.386149654e+01 7.894860996e+01 9.395845925e+01 9.402614565e+01 4.253302151e+01 5.428003403e+01 8.316726792e+01 3.707174586e+01 5.910432268e+01 1.34 8.550251006e+01 3.897405601e+01 7.147574551e+01 8.560386514e+01 8.571644722e+01 3.805068770e+01 4.892268385e+01 7.540730521e+01 3.317095905e+01 5.363476731e+01 1.36 7.770391368e+01 3.459655391e+01 6.456104638e+01 7.783733495e+01 7.797976507e+01 3.397128262e+01 4.405518366e+01 6.825091528e+01 2.959432389e+01 4.862226830e+01 1.38 7.050356773e+01 3.068122146e+01 5.817998809e+01 7.064976003e+01 7.080073845e+01 3.026333841e+01 3.963313095e+01 6.168009214e+01 2.630778979e+01 4.402762825e+01 1.40 6.388965199e+01 2.717456668e+01 5.230727512e+01 6.402635907e+01 6.416361129e+01 2.689103711e+01 3.558404565e+01 5.566939758e+01 2.329553614e+01 3.981658632e+01 1.42 5.783708810e+01 2.402423934e+01 4.691778629e+01 5.794374137e+01 5.804898554e+01 2.381976808e+01 3.188053830e+01 5.018032882e+01 2.053858667e+01 3.595275708e+01 1.44 5.227996231e+01 2.118713546e+01 4.199135637e+01 5.234397220e+01 5.240617969e+01 2.102223583e+01 2.850068000e+01 4.515588753e+01 1.802000904e+01 3.235130874e+01 1.46 4.717580413e+01 1.862636743e+01 3.750939793e+01 4.719208219e+01 4.720656825e+01 1.847860570e+01 2.542263434e+01 4.055423771e+01 1.572811150e+01 2.898155890e+01 1.48 4.248556039e+01 1.631375578e+01 3.344977604e+01 4.245591841e+01 4.242399265e+01 1.617157750e+01 2.262497342e+01 3.634125787e+01 1.365242602e+01 2.583361931e+01 1.50 3.817160686e+01 1.422598381e+01 2.978825766e+01 3.810337589e+01 3.803193586e+01 1.408490167e+01 2.008603307e+01 3.248525494e+01 1.178047553e+01 2.290110176e+01 1.52 3.420865018e+01 1.234494521e+01 2.649866541e+01 3.411121167e+01 3.401004301e+01 1.220442519e+01 1.778468560e+01 2.896340677e+01 1.009631395e+01 2.018867468e+01 1.54 3.058048227e+01 1.065450070e+01 2.355479920e+01 3.046447290e+01 3.034500439e+01 1.051787397e+01 1.569598345e+01 2.575531907e+01 8.585169768e+00 1.770086258e+01 1.56 2.727282443e+01 9.140160444e+00 2.092911736e+01 2.714985375e+01 2.702448066e+01 9.011461096e+00 1.379467835e+01 2.284176057e+01 7.231112494e+00 1.543880992e+01 1.58 2.426811444e+01 7.789895460e+00 1.859219736e+01 2.415007454e+01 2.403122672e+01 7.669167674e+00 1.205656518e+01 2.020216131e+01 6.019210952e+00 1.339759263e+01 1.60 2.153953075e+01 6.593875363e+00 1.651041436e+01 2.143701596e+01 2.133516692e+01 6.472979586e+00 1.046303288e+01 1.781194354e+01 4.935817664e+00 1.155874214e+01 1.62 1.906104015e+01 5.542212614e+00 1.465088725e+01 1.898233248e+01 1.890521867e+01 5.406821095e+00 8.994743251e+00 1.564796961e+01 3.968440915e+00 9.902016987e+00 1.64 1.681001963e+01 4.620395642e+00 1.298504970e+01 1.676080052e+01 1.671345987e+01 4.458298045e+00 7.636847872e+00 1.369307390e+01 3.103779470e+00 8.408213825e+00 1.66 1.476964723e+01 3.792324921e+00 1.148660665e+01 1.475271727e+01 1.473744311e+01 3.615626617e+00 6.386494820e+00 1.193427076e+01 2.324521041e+00 7.064502887e+00 1.68 1.292699476e+01 3.044734484e+00 1.013238892e+01 1.294192409e+01 1.295811988e+01 2.866889296e+00 5.241737182e+00 1.035953772e+01 1.625960880e+00 5.861153342e+00 1.70 1.126907766e+01 2.371338138e+00 8.901739172e+00 1.131259221e+01 1.135699562e+01 2.199738435e+00 4.201120627e+00 8.955007951e+00 1.001872784e+00 4.786134028e+00 1.72 9.783744083e+00 1.765590040e+00 7.775949777e+00 9.850029059e+00 9.916791669e+00 1.602726297e+00 3.262176156e+00 7.707233313e+00 4.437480468e-01 3.827864678e+00 1.74 8.460461615e+00 1.221193800e+00 6.736642666e+00 8.541398278e+00 8.622339130e+00 1.065896774e+00 2.420726219e+00 6.602550792e+00 -5.571853310e-02 2.977180027e+00 1.76 7.287529148e+00 7.316898748e-01 5.756738930e+00 7.374665090e+00 7.461353995e+00 5.839304374e-01 1.672255172e+00 5.625885553e+00 -5.019101263e-01 2.226017774e+00 1.78 6.250738459e+00 2.907603727e-01 4.832803090e+00 6.336380325e+00 6.421318816e+00 1.534943452e-01 1.011501456e+00 4.763136069e+00 -8.974360839e-01 1.565767342e+00 1.80 5.335220314e+00 -1.088655118e-01 3.967452662e+00 5.412852545e+00 5.489805101e+00 -2.283083721e-01 4.298032488e-01 4.000165480e+00 -1.244102718e+00 9.861945321e-01 1.82 4.525523920e+00 -4.881649790e-01 3.163657236e+00 4.590215884e+00 4.654438832e+00 -5.639667925e-01 -8.060774433e-02 3.322712655e+00 -1.545117165e+00 4.760243635e-01 1.84 3.806890929e+00 -8.512008046e-01 2.424758808e+00 3.855339957e+00 3.903601328e+00 -8.554882246e-01 -5.268049070e-01 2.716161834e+00 -1.805037520e+00 2.445563595e-02 1.86 3.165747807e+00 -1.198582031e+00 1.753681783e+00 3.196166160e+00 3.226646464e+00 -1.104916617e+00 -9.154512176e-01 2.168121763e+00 -2.028471446e+00 -3.778597721e-01 1.88 2.589653915e+00 -1.530033559e+00 1.151093237e+00 2.601868751e+00 2.614295883e+00 -1.315688763e+00 -1.252422471e+00 1.669020235e+00 -2.219995347e+00 -7.371954408e-01 1.90 2.066246017e+00 -1.845107985e+00 6.166420701e-01 2.061841091e+00 2.057694795e+00 -1.491373240e+00 -1.545483379e+00 1.210520919e+00 -2.383211538e+00 -1.059054277e+00 1.92 1.585114495e+00 -2.141209698e+00 1.496369734e-01 1.567112438e+00 1.549349345e+00 -1.635400026e+00 -1.804951304e+00 7.884854574e-01 -2.520497214e+00 -1.347485251e+00 1.94 1.140992882e+00 -2.414974814e+00 -2.536415590e-01 1.113201613e+00 1.085596099e+00 -1.750972083e+00 -2.034436283e+00 4.009119699e-01 -2.633984363e+00 -1.605199938e+00 1.96 7.312647350e-01 -2.662860065e+00 -6.001014411e-01 6.975488354e-01 6.639426717e-01 -1.841909625e+00 -2.236481744e+00 3.146190893e-02 -2.725924311e+00 -1.834649290e+00 1.98 3.537644832e-01 -2.881407929e+00 -8.987315681e-01 3.174650392e-01 2.811876886e-01 -1.912961188e+00 -2.413182955e+00 -3.329619947e-01 -2.798362660e+00 -2.038061117e+00 2.00 6.799383274e-03 -3.069776907e+00 -1.158441593e+00 -2.935339302e-02 -6.555913813e-02 -1.968755012e+00 -2.566442151e+00 -6.880330277e-01 -2.853186237e+00 -2.217278996e+00 2.02 -3.319044780e-01 -3.232915729e+00 -1.401007725e+00 -3.658454122e-01 -3.998791736e-01 -2.020793554e+00 -2.705101753e+00 -1.036495019e+00 -2.897526205e+00 -2.384025781e+00 2.04 -6.791602693e-01 -3.375438051e+00 -1.642751417e+00 -7.094211950e-01 -7.397810860e-01 -2.078202977e+00 -2.835920996e+00 -1.379687032e+00 -2.937606182e+00 -2.547110255e+00 2.06 -1.028149269e+00 -3.499217648e+00 -1.881974339e+00 -1.053663588e+00 -1.079260439e+00 -2.139985573e+00 -2.957085135e+00 -1.711158455e+00 -2.973414492e+00 -2.703460962e+00 2.08 -1.372255318e+00 -3.606842892e+00 -2.116581778e+00 -1.392314909e+00 -1.412429202e+00 -2.204583702e+00 -3.067458758e+00 -2.024839382e+00 -3.004921907e+00 -2.850066735e+00 2.10 -1.705042070e+00 -3.700260820e+00 -2.344518383e+00 -1.719308661e+00 -1.733601902e+00 -2.270452185e+00 -3.166923212e+00 -2.315405732e+00 -3.032433720e+00 -2.983969046e+00 2.12 -2.020178404e+00 -3.781196233e+00 -2.563361718e+00 -2.028699782e+00 -2.037229790e+00 -2.336047848e+00 -3.255513235e+00 -2.577748213e+00 -3.056327870e+00 -3.102246702e+00 2.14 -2.311431129e+00 -3.851086786e+00 -2.770484633e+00 -2.314692254e+00 -2.317954757e+00 -2.399840688e+00 -3.333204710e+00 -2.807681297e+00 -3.076711410e+00 -3.202278108e+00 2.16 -2.574105492e+00 -3.910365537e+00 -2.963288663e+00 -2.572934343e+00 -2.571763199e+00 -2.460300409e+00 -3.400029634e+00 -3.004489527e+00 -3.093276749e+00 -3.282961303e+00 2.18 -2.805754381e+00 -3.958919474e+00 -3.139302513e+00 -2.801076293e+00 -2.796398206e+00 -2.515880111e+00 -3.456143508e+00 -3.170804586e+00 -3.105698966e+00 -3.344242990e+00 2.20 -3.004304321e+00 -3.996456993e+00 -3.296725465e+00 -2.997102734e+00 -2.989901147e+00 -2.565008824e+00 -3.501630673e+00 -3.309630005e+00 -3.113608192e+00 -3.386222958e+00 2.22 -3.168913724e+00 -4.022865460e+00 -3.434538448e+00 -3.160140085e+00 -3.151366447e+00 -2.606320215e+00 -3.536667455e+00 -3.424333089e+00 -3.116913200e+00 -3.409612377e+00 2.24 -3.303415026e+00 -4.038900189e+00 -3.554283173e+00 -3.293851373e+00 -3.284287719e+00 -2.639724983e+00 -3.562955026e+00 -3.519540545e+00 -3.116167768e+00 -3.417442483e+00 2.26 -3.412843066e+00 -4.045830782e+00 -3.658231347e+00 -3.403097048e+00 -3.393351031e+00 -2.665482031e+00 -3.582577857e+00 -3.599184123e+00 -3.111645004e+00 -3.413329566e+00 2.28 -3.502271045e+00 -4.045257100e+00 -3.748189143e+00 -3.492786705e+00 -3.483302365e+00 -2.683910622e+00 -3.597211271e+00 -3.665990730e+00 -3.103596138e+00 -3.400893300e+00 2.30 -3.576800239e+00 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