# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Ostovari-Moghaddam-A-Fereidonnejad-R-Moaddeli-M-et-al--Zr-Co # implementation = 2025--Ostovari-Moghaddam-A--Zr-Co--LAMMPS--ipr1 # composition = Co # 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 1.233157368e+02 nan nan nan nan 0.80 nan nan nan nan nan 1.153671304e+02 nan nan nan nan 0.82 nan nan nan nan nan 1.078985113e+02 nan nan 1.653259911e+02 nan 0.84 nan nan nan nan nan 1.008804525e+02 nan nan 1.536230167e+02 nan 0.86 nan nan nan nan nan 9.428543891e+01 nan nan 1.426871593e+02 nan 0.88 nan nan nan nan nan 8.808773402e+01 nan nan 1.324694325e+02 nan 0.90 nan 2.201899231e+02 nan nan nan 8.226325662e+01 nan nan 1.229239614e+02 1.797536971e+02 0.92 nan 2.054173981e+02 nan nan nan 7.678946645e+01 1.936862687e+02 nan 1.140077850e+02 1.678994558e+02 0.94 nan 1.915386009e+02 nan nan nan 7.164525821e+01 1.806784310e+02 nan 1.056806697e+02 1.567661770e+02 0.96 nan 1.785026784e+02 nan nan nan 6.681086333e+01 1.684689008e+02 nan 9.790493671e+01 1.463113434e+02 0.98 nan 1.662615475e+02 2.249952578e+02 nan nan 6.226775899e+01 1.570107716e+02 nan 9.064529875e+01 1.364949209e+02 1.00 nan 1.547697499e+02 2.110360008e+02 nan 2.185701772e+02 5.799858363e+01 1.462598281e+02 2.064545649e+02 8.386870818e+01 1.272792144e+02 1.02 2.056094987e+02 1.439843137e+02 1.978583405e+02 2.055573081e+02 2.055051175e+02 5.398705867e+01 1.361743944e+02 1.937886322e+02 7.754421455e+01 1.186287304e+02 1.04 1.932448916e+02 1.338646222e+02 1.854210823e+02 1.931945187e+02 1.931441457e+02 5.021791584e+01 1.267151901e+02 1.818216515e+02 7.164283116e+01 1.105100495e+02 1.06 1.815486946e+02 1.243722898e+02 1.736851126e+02 1.815000883e+02 1.814514820e+02 4.667682973e+01 1.178451953e+02 1.705172826e+02 6.613741032e+01 1.028917046e+02 1.08 1.704868770e+02 1.154710434e+02 1.626132969e+02 1.704399872e+02 1.703930975e+02 4.335035524e+01 1.095295218e+02 1.598410037e+02 6.100252645e+01 9.574406754e+01 1.10 1.600270753e+02 1.071266107e+02 1.521703832e+02 1.599818527e+02 1.599366302e+02 4.022586943e+01 1.017352929e+02 1.497600229e+02 5.621436669e+01 8.903924160e+01 1.12 1.501385136e+02 9.930661379e+01 1.423229099e+02 1.500949098e+02 1.500513060e+02 3.729151749e+01 9.443152901e+01 1.402431936e+02 5.175062849e+01 8.275096051e+01 1.14 1.407919280e+02 9.198046836e+01 1.330391181e+02 1.407498953e+02 1.407078627e+02 3.453616266e+01 8.758904006e+01 1.312609344e+02 4.759042377e+01 7.685449347e+01 1.16 1.319594940e+02 8.511928790e+01 1.242888679e+02 1.319189859e+02 1.318784777e+02 3.194933955e+01 8.118032380e+01 1.227851526e+02 4.371418913e+01 7.132655546e+01 1.18 1.236147581e+02 7.869579311e+01 1.160435589e+02 1.235757286e+02 1.235366992e+02 2.952121077e+01 7.517946988e+01 1.147891714e+02 4.010360183e+01 6.614522297e+01 1.20 1.157325717e+02 7.268422578e+01 1.082760539e+02 1.156949761e+02 1.156573805e+02 2.724252667e+01 6.956206928e+01 1.072476603e+02 3.674150114e+01 6.128985467e+01 1.22 1.082890288e+02 6.706026721e+01 1.009606074e+02 1.082528231e+02 1.082166175e+02 2.510458776e+01 6.430512879e+01 1.001365695e+02 3.361181467e+01 5.674101654e+01 1.24 1.012614064e+02 6.180096089e+01 9.407279626e+01 1.012265477e+02 1.011916890e+02 2.309920982e+01 5.938699038e+01 9.343306703e+01 3.069948942e+01 5.248041156e+01 1.26 9.462810767e+01 5.688463910e+01 8.758945434e+01 9.459455377e+01 9.456099988e+01 2.121869139e+01 5.478725503e+01 8.711547852e+01 2.799042722e+01 4.849081341e+01 1.28 8.836860745e+01 5.229085343e+01 8.148861027e+01 8.833631729e+01 8.830402714e+01 1.945578344e+01 5.048671092e+01 8.116323064e+01 2.547142424e+01 4.475600403e+01 1.30 8.246340120e+01 4.800030883e+01 7.574942805e+01 8.243233459e+01 8.240126799e+01 1.780366117e+01 4.646726560e+01 7.555679677e+01 2.313011447e+01 4.126071491e+01 1.32 7.689395547e+01 4.399480117e+01 7.035215051e+01 7.686407317e+01 7.683419087e+01 1.625589773e+01 4.271188205e+01 7.027764541e+01 2.095491662e+01 3.799057172e+01 1.34 7.164266110e+01 4.025715804e+01 6.527804552e+01 7.161392480e+01 7.158518850e+01 1.480643960e+01 3.920451824e+01 6.530819105e+01 1.893498456e+01 3.493204221e+01 1.36 6.669278869e+01 3.677118267e+01 6.050935490e+01 6.666516100e+01 6.663753332e+01 1.344958376e+01 3.593007027e+01 6.063174742e+01 1.706016081e+01 3.207238714e+01 1.38 6.202844590e+01 3.352160074e+01 5.602924558e+01 6.200189039e+01 6.197533488e+01 1.217995628e+01 3.287431857e+01 5.623248303e+01 1.532093304e+01 2.939961412e+01 1.40 5.763453703e+01 3.049401008e+01 5.182176333e+01 5.760901816e+01 5.758349929e+01 1.099249238e+01 3.002387719e+01 5.209537883e+01 1.370839329e+01 2.690243406e+01 1.42 5.349672441e+01 2.767483293e+01 4.787178864e+01 5.347220756e+01 5.344769070e+01 9.882417785e+00 2.736614603e+01 4.820618790e+01 1.221419982e+01 2.457022026e+01 1.44 4.960139152e+01 2.505127076e+01 4.416499472e+01 4.957784297e+01 4.955429442e+01 8.845231271e+00 2.488926566e+01 4.455139708e+01 1.083054135e+01 2.239296979e+01 1.46 4.593560805e+01 2.261126150e+01 4.068780760e+01 4.591299498e+01 4.589038191e+01 7.876688409e+00 2.258207475e+01 4.111819053e+01 9.550103583e+00 2.036126717e+01 1.48 4.248709648e+01 2.034343901e+01 3.742736816e+01 4.246538695e+01 4.244367741e+01 6.972786312e+00 2.043406999e+01 3.789441503e+01 8.366037849e+00 1.846625022e+01 1.50 3.924420026e+01 1.823709467e+01 3.437149596e+01 3.922336319e+01 3.920252612e+01 6.129749353e+00 1.843536811e+01 3.486854688e+01 7.271931723e+00 1.669957778e+01 1.52 3.619585357e+01 1.628214111e+01 3.150865491e+01 3.617585874e+01 3.615586392e+01 5.344015843e+00 1.657667025e+01 3.202966053e+01 6.261781534e+00 1.505339942e+01 1.54 3.333155241e+01 1.446907776e+01 2.882792058e+01 3.331237047e+01 3.329318852e+01 4.612225506e+00 1.484922821e+01 2.936739864e+01 5.329966569e+00 1.352032687e+01 1.56 3.064132720e+01 1.278895829e+01 2.631894912e+01 3.062292959e+01 3.060453199e+01 3.931207754e+00 1.324481267e+01 2.687194370e+01 4.471224946e+00 1.209340708e+01 1.58 2.811571655e+01 1.123335983e+01 2.397194770e+01 2.809807557e+01 2.808043459e+01 3.297970724e+00 1.175568324e+01 2.453399089e+01 3.680630996e+00 1.076609697e+01 1.60 2.574574238e+01 9.794353772e+00 2.177764641e+01 2.572883110e+01 2.571191983e+01 2.709690955e+00 1.037456018e+01 2.234472241e+01 2.953574077e+00 9.532239470e+00 1.62 2.352288616e+01 8.464478156e+00 1.972727157e+01 2.350667847e+01 2.349047079e+01 2.163703727e+00 9.094597738e+00 2.029578297e+01 2.285738719e+00 8.386041130e+00 1.64 2.143906637e+01 7.236711579e+00 1.781252029e+01 2.142353692e+01 2.140800747e+01 1.657493998e+00 7.909359038e+00 1.837925652e+01 1.673086037e+00 7.322050924e+00 1.66 1.948661691e+01 6.104448459e+00 1.602553636e+01 1.947174111e+01 1.945686530e+01 1.188687871e+00 6.812792332e+00 1.658764409e+01 1.111836300e+00 6.335140313e+00 1.68 1.765826666e+01 5.061475673e+00 1.435888729e+01 1.764402066e+01 1.762977466e+01 7.550445978e-01 5.799208681e+00 1.491384272e+01 5.984526087e-01 5.420484491e+00 1.70 1.594711998e+01 4.101950431e+00 1.280554249e+01 1.593348067e+01 1.591984135e+01 3.544490650e-01 4.863260865e+00 1.335112548e+01 1.296256009e-01 4.573544704e+00 1.72 1.434663811e+01 3.220379366e+00 1.135885258e+01 1.433358308e+01 1.432052806e+01 -1.509529140e-02 3.999923511e+00 1.189312238e+01 -2.977408908e-01 3.790051577e+00 1.74 1.285062153e+01 2.411598752e+00 1.001252964e+01 1.283812909e+01 1.282563664e+01 -3.554731189e-01 3.204474361e+00 1.053380228e+01 -6.865432590e-01 3.065989460e+00 1.76 1.145319311e+01 1.670755799e+00 8.760628546e+00 1.144124223e+01 1.142929135e+01 -6.684634132e-01 2.472476605e+00 9.267455680e+00 -1.039490717e+00 2.397581633e+00 1.78 1.014878208e+01 9.932909624e-01 7.597529158e+00 1.013735241e+01 1.012592274e+01 -9.557454082e-01 1.799762221e+00 8.088678326e+00 -1.359117093e+00 1.781276393e+00 1.80 8.932108827e+00 3.749212329e-01 6.517919446e+00 8.921180664e+00 8.910252500e+00 -1.218904108e+00 1.182416289e+00 6.992355682e+00 -1.647791881e+00 1.213733962e+00 1.82 7.798170342e+00 -1.883756816e-01 5.516779431e+00 7.787724621e+00 7.777278900e+00 -1.459435521e+00 6.167621742e-01 5.973648113e+00 -1.907730606e+00 6.918141199e-01 1.84 6.742226427e+00 -7.003762882e-01 4.589365951e+00 6.732244703e+00 6.722262980e+00 -1.678751572e+00 9.934758675e-02 5.027976821e+00 -2.141004532e+00 2.125645870e-01 1.86 5.759786564e+00 -1.164625430e+00 3.731198193e+00 5.750250998e+00 5.740715431e+00 -1.878184733e+00 -3.730685693e-01 4.151010502e+00 -2.349549759e+00 -2.267899291e-01 1.88 4.846597383e+00 -1.584449631e+00 2.938043929e+00 4.837490723e+00 4.828384063e+00 -2.058992409e+00 -8.035285987e-01 3.338652618e+00 -2.535175765e+00 -6.288580653e-01 1.90 3.998630780e+00 -1.962969700e+00 2.205906475e+00 3.989936350e+00 3.981241921e+00 -2.222361045e+00 -1.194887692e+00 2.587029335e+00 -2.699573385e+00 -9.960915142e-01 1.92 3.212072594e+00 -2.303112646e+00 1.531012295e+00 3.203774278e+00 3.195475962e+00 -2.369410020e+00 -1.549824937e+00 1.892478047e+00 -2.844322320e+00 -1.330794183e+00 1.94 2.483311815e+00 -2.607622923e+00 9.097992259e-01 2.475394041e+00 2.467476267e+00 -2.501195321e+00 -1.870853702e+00 1.251536471e+00 -2.970898153e+00 -1.635130830e+00 1.96 1.808930359e+00 -2.879073066e+00 3.389053165e-01 1.801378086e+00 1.793825812e+00 -2.618712996e+00 -2.160331409e+00 6.609322946e-01 -3.080678941e+00 -1.911135179e+00 1.98 1.185693305e+00 -3.119873722e+00 -1.848417838e-01 1.178492005e+00 1.171290705e+00 -2.722902433e+00 -2.420468753e+00 1.175733218e-01 -3.174951382e+00 -2.160717585e+00 2.00 6.105396095e-01 -3.332283131e+00 -6.644348941e-01 6.036752587e-01 5.968109078e-01 -2.814649445e+00 -2.653338390e+00 -3.814618763e-01 -3.254916607e+00 -2.385672246e+00 2.02 8.057331015e-02 -3.518416073e+00 -1.102696843e+00 7.403237036e-02 6.749143058e-02 -2.894789184e+00 -2.860883112e+00 -8.389328375e-01 -3.321695601e+00 -2.587683994e+00 2.04 -4.069448899e-01 -3.680252321e+00 -1.502289545e+00 -4.131754830e-01 -4.194060761e-01 -2.964108902e+00 -3.044923566e+00 -1.257445656e+00 -3.376334293e+00 -2.768334705e+00 2.06 -8.546055936e-01 -3.819644612e+00 -1.865722600e+00 -8.605384446e-01 -8.664712957e-01 -3.023350553e+00 -3.207165516e+00 -1.639460999e+00 -3.419808322e+00 -2.929109324e+00 2.08 -1.264858292e+00 -3.938326179e+00 -2.195361447e+00 -1.270505559e+00 -1.276152826e+00 -3.073213253e+00 -3.349206683e+00 -1.987301716e+00 -3.453027505e+00 -3.071401548e+00 2.10 -1.640018596e+00 -4.037917851e+00 -2.493435123e+00 -1.645392004e+00 -1.650765412e+00 -3.114355614e+00 -3.472543201e+00 -2.303160072e+00 -3.476840030e+00 -3.196519187e+00 2.12 -1.982275089e+00 -4.119934759e+00 -2.762043593e+00 -1.987385942e+00 -1.992496795e+00 -3.147397939e+00 -3.578575687e+00 -2.589104616e+00 -3.492036386e+00 -3.305689197e+00 2.14 -2.293695849e+00 -4.185792660e+00 -3.003164725e+00 -2.298555045e+00 -2.303414240e+00 -3.172925294e+00 -3.668614959e+00 -2.847086695e+00 -3.499353043e+00 -3.400062441e+00 2.16 -2.576234666e+00 -4.236813904e+00 -3.218660897e+00 -2.580852705e+00 -2.585470743e+00 -3.191497481e+00 -3.743887436e+00 -3.078946658e+00 -3.499475909e+00 -3.480718163e+00 2.18 -2.831736923e+00 -4.274233060e+00 -3.410285260e+00 -2.836123922e+00 -2.840510921e+00 -3.203610707e+00 -3.805540202e+00 -3.286419718e+00 -3.493043563e+00 -3.548668204e+00 2.20 -3.061945207e+00 -4.299202223e+00 -3.579687684e+00 -3.066110913e+00 -3.070276619e+00 -3.209759702e+00 -3.854645795e+00 -3.471141543e+00 -3.480650305e+00 -3.604860980e+00 2.22 -3.268504645e+00 -4.312796022e+00 -3.728420394e+00 -3.272458445e+00 -3.276412244e+00 -3.210404657e+00 -3.892206710e+00 -3.634653552e+00 -3.462848973e+00 -3.650185227e+00 2.24 -3.452967955e+00 -4.316016336e+00 -3.857943301e+00 -3.456718885e+00 -3.460469816e+00 -3.205976029e+00 -3.919159631e+00 -3.778407939e+00 -3.440153619e+00 -3.685473521e+00 2.26 -3.616800267e+00 -4.309796741e+00 -3.969629076e+00 -3.620357029e+00 -3.623913791e+00 -3.196878390e+00 -3.936379432e+00 -3.903772447e+00 -3.413042048e+00 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