# Diatom energy (eV) vs. 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 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2025-07-01 r Co Co Co Zr Zr Zr 0.02 4.395167305e+02 4.718338379e+02 2.818972950e+02 0.04 4.168386505e+02 4.516003781e+02 2.716522177e+02 0.06 3.952506452e+02 4.321701559e+02 2.617570217e+02 0.08 3.747029443e+02 4.135133141e+02 2.522002374e+02 0.10 3.551479537e+02 3.956010347e+02 2.429707603e+02 0.12 3.365401637e+02 3.784055047e+02 2.340578401e+02 0.14 3.188360616e+02 3.618998840e+02 2.254510696e+02 0.16 3.019940475e+02 3.460582738e+02 2.171403734e+02 0.18 2.859743534e+02 3.308556852e+02 2.091159984e+02 0.20 2.707389657e+02 3.162680104e+02 2.013685029e+02 0.22 2.562515511e+02 3.022719930e+02 1.938887475e+02 0.24 2.424773849e+02 2.888452002e+02 1.866678853e+02 0.26 2.293832832e+02 2.759659961e+02 1.796973527e+02 0.28 2.169375366e+02 2.636135147e+02 1.729688607e+02 0.30 2.051098477e+02 2.517676347e+02 1.664743863e+02 0.32 1.938712708e+02 2.404089548e+02 1.602061640e+02 0.34 1.831941536e+02 2.295187694e+02 1.541566777e+02 0.36 1.730520823e+02 2.190790456e+02 1.483186531e+02 0.38 1.634198279e+02 2.090724006e+02 1.426850499e+02 0.40 1.542732956e+02 1.994820798e+02 1.372490546e+02 0.42 1.455894755e+02 1.902919357e+02 1.320040730e+02 0.44 1.373463961e+02 1.814864071e+02 1.269437239e+02 0.46 1.295230791e+02 1.730504999e+02 1.220618318e+02 0.48 1.220994964e+02 1.649697669e+02 1.173524208e+02 0.50 1.150565291e+02 1.572302899e+02 1.128097082e+02 0.52 1.083759274e+02 1.498186615e+02 1.084280983e+02 0.54 1.020402732e+02 1.427219673e+02 1.042021766e+02 0.56 9.603294358e+01 1.359277693e+02 1.001267041e+02 0.58 9.033807602e+01 1.294240891e+02 9.619661167e+01 0.60 8.494053507e+01 1.231993927e+02 9.240699473e+01 0.62 7.982588039e+01 1.172425744e+02 8.875310805e+01 0.64 7.498033624e+01 1.115429422e+02 8.523036065e+01 0.66 7.039076212e+01 1.060902037e+02 8.183431097e+01 0.68 6.604462470e+01 1.008744517e+02 7.856066209e+01 0.70 6.192997103e+01 9.588615094e+01 7.540525718e+01 0.72 5.803540272e+01 9.111612498e+01 7.236407500e+01 0.74 5.435005134e+01 8.655554368e+01 6.943322566e+01 0.76 5.086355487e+01 8.219591093e+01 6.660894637e+01 0.78 4.756603501e+01 7.802905277e+01 6.388759746e+01 0.80 4.444807569e+01 7.404710604e+01 6.126565842e+01 0.82 4.150070229e+01 7.024250734e+01 5.873972413e+01 0.84 3.871536185e+01 6.660798228e+01 5.630650115e+01 0.86 3.608390415e+01 6.313653517e+01 5.396280419e+01 0.88 3.359856353e+01 5.982143908e+01 5.170555263e+01 0.90 3.125194155e+01 5.665622609e+01 4.953176720e+01 0.92 2.903699039e+01 5.363467806e+01 4.743856673e+01 0.94 2.694699696e+01 5.075081751e+01 4.542316498e+01 0.96 2.497556767e+01 4.799889894e+01 4.348286767e+01 0.98 2.311661396e+01 4.537340044e+01 4.161506945e+01 1.00 2.136433831e+01 4.286901546e+01 3.981725111e+01 1.02 1.971322103e+01 4.048064502e+01 3.808697679e+01 1.04 1.815800746e+01 3.820339007e+01 3.642189129e+01 1.06 1.669369588e+01 3.603254415e+01 3.481971752e+01 1.08 1.531552586e+01 3.396358631e+01 3.327825392e+01 1.10 1.401896713e+01 3.199217425e+01 3.179537209e+01 1.12 1.279970898e+01 3.011413768e+01 3.036901439e+01 1.14 1.165365014e+01 2.832547200e+01 2.899719168e+01 1.16 1.057688900e+01 2.662233205e+01 2.767798108e+01 1.18 9.565714425e+00 2.500102620e+01 2.640952387e+01 1.20 8.616596871e+00 2.345801061e+01 2.519002337e+01 1.22 7.726179921e+00 2.198988363e+01 2.401774295e+01 1.24 6.891272224e+00 2.059338048e+01 2.289100409e+01 1.26 6.108839795e+00 1.926536810e+01 2.180818448e+01 1.28 5.375998635e+00 1.800284007e+01 2.076771618e+01 1.30 4.690007737e+00 1.680291191e+01 1.976808389e+01 1.32 4.048262374e+00 1.566281633e+01 1.880782321e+01 1.34 3.448287709e+00 1.457989881e+01 1.788551895e+01 1.36 2.887732724e+00 1.355161323e+01 1.699980360e+01 1.38 2.364364397e+00 1.257551774e+01 1.614935568e+01 1.40 1.876062190e+00 1.164927066e+01 1.533289831e+01 1.42 1.420812787e+00 1.077062666e+01 1.454919771e+01 1.44 9.967050800e-01 9.937432956e+00 1.379706176e+01 1.46 6.019254201e-01 9.147625730e+00 1.307533868e+01 1.48 2.347530946e-01 8.399226601e+00 1.238291568e+01 1.50 -1.064439724e-01 7.690339264e+00 1.171871765e+01 1.52 -4.232132775e-01 7.019146236e+00 1.108170598e+01 1.54 -7.170216008e-01 6.383905704e+00 1.047087724e+01 1.56 -9.892586562e-01 5.782948488e+00 9.885262142e+00 1.58 -1.241240529e+00 5.214675115e+00 9.323924297e+00 1.60 -1.474212940e+00 4.677552970e+00 8.785959179e+00 1.62 -1.689354308e+00 4.170113555e+00 8.270493042e+00 1.64 -1.887778632e+00 3.690949844e+00 7.776681888e+00 1.66 -2.070538212e+00 3.238713697e+00 7.303710471e+00 1.68 -2.238626188e+00 2.812113376e+00 6.850791329e+00 1.70 -2.392978932e+00 2.409911127e+00 6.417163843e+00 1.72 -2.534478285e+00 2.030920822e+00 6.002093331e+00 1.74 -2.663953656e+00 1.674005675e+00 5.604870167e+00 1.76 -2.782183990e+00 1.338076013e+00 5.224808922e+00 1.78 -2.889899626e+00 1.022087084e+00 4.861247540e+00 1.80 -2.987784039e+00 7.250369274e-01 4.513546535e+00 1.82 -3.076475509e+00 4.459642656e-01 4.181088211e+00 1.84 -3.156568707e+00 1.839464267e-01 3.863275904e+00 1.86 -3.228616235e+00 -6.190270939e-02 3.559533257e+00 1.88 -3.293130132e+00 -2.924347660e-01 3.269303500e+00 1.90 -3.350583364e+00 -5.084689175e-01 2.992048770e+00 1.92 -3.401411321e+00 -7.107939559e-01 2.727249435e+00 1.94 -3.446013353e+00 -9.001703861e-01 2.474403448e+00 1.96 -3.484754337e+00 -1.077332555e+00 2.233025716e+00 1.98 -3.517966336e+00 -1.242990842e+00 2.002647490e+00 2.00 -3.545950337e+00 -1.397833915e+00 1.782815767e+00 2.02 -3.568978104e+00 -1.542531070e+00 1.573092717e+00 2.04 -3.587294168e+00 -1.677734663e+00 1.373055124e+00 2.06 -3.601117980e+00 -1.804082651e+00 1.182293835e+00 2.08 -3.610646238e+00 -1.922201219e+00 1.000413243e+00 2.10 -3.616055434e+00 -2.032707505e+00 8.270307605e-01 2.12 -3.617504614e+00 -2.136212368e+00 6.617763329e-01 2.14 -3.615138385e+00 -2.233323129e+00 5.042919485e-01 2.16 -3.609090148e+00 -2.324646173e+00 3.542311694e-01 2.18 -3.599485525e+00 -2.410789201e+00 2.112586777e-01 2.20 -3.586445910e+00 -2.492362831e+00 7.504983236e-02 2.22 -3.570092037e+00 -2.569981075e+00 -5.470975929e-02 2.24 -3.550547410e+00 -2.644260027e+00 -1.783246542e-01 2.26 -3.527941413e+00 -2.715813807e+00 -2.960899754e-01 2.28 -3.502411899e+00 -2.785246471e+00 -4.082917976e-01 2.30 -3.474107069e+00 -2.853138250e+00 -5.152075181e-01 2.32 -3.443186484e+00 -2.920024139e+00 -6.171062140e-01 2.34 -3.409821104e+00 -2.986362791e+00 -7.142489816e-01 2.36 -3.374192356e+00 -3.052494081e+00 -8.068892595e-01 2.38 -3.336490289e+00 -3.118585152e+00 -8.952731351e-01 2.40 -3.296910983e+00 -3.184567692e+00 -9.796396283e-01 2.42 -3.255653424e+00 -3.250074226e+00 -1.060220957e+00 2.44 -3.212916117e+00 -3.314387841e+00 -1.137242777e+00 2.46 -3.168893703e+00 -3.376426415e+00 -1.210924397e+00 2.48 -3.123773831e+00 -3.434784926e+00 -1.281478966e+00 2.50 -3.077734488e+00 -3.487852263e+00 -1.349113624e+00 2.52 -3.030941931e+00 -3.533998832e+00 -1.414029624e+00 2.54 -2.983549293e+00 -3.571802073e+00 -1.476422409e+00 2.56 -2.935695861e+00 -3.600253132e+00 -1.536481645e+00 2.58 -2.887506986e+00 -3.618886482e+00 -1.594391204e+00 2.60 -2.839094513e+00 -3.627800762e+00 -1.650329098e+00 2.62 -2.790557623e+00 -3.627579200e+00 -1.704467337e+00 2.64 -2.741983937e+00 -3.619148285e+00 -1.756971736e+00 2.66 -2.693450771e+00 -3.603620665e+00 -1.808001634e+00 2.68 -2.645026413e+00 -3.582156881e+00 -1.857709540e+00 2.70 -2.596771353e+00 -3.555863024e+00 -1.906240685e+00 2.72 -2.548739388e+00 -3.525727175e+00 -1.953732487e+00 2.74 -2.500978587e+00 -3.492589272e+00 -2.000313909e+00 2.76 -2.453532090e+00 -3.457135827e+00 -2.046104726e+00 2.78 -2.406438760e+00 -3.419910697e+00 -2.091214683e+00 2.80 -2.359733700e+00 -3.381334498e+00 -2.135742550e+00 2.82 -2.313448658e+00 -3.341727154e+00 -2.179775094e+00 2.84 -2.267612349e+00 -3.301329947e+00 -2.223385959e+00 2.86 -2.222250716e+00 -3.260325038e+00 -2.266634487e+00 2.88 -2.177387139e+00 -3.218851551e+00 -2.309564503e+00 2.90 -2.133042619e+00 -3.177018092e+00 -2.352203089e+00 2.92 -2.089235935e+00 -3.134912038e+00 -2.394559406e+00 2.94 -2.045983794e+00 -3.092606126e+00 -2.436623608e+00 2.96 -2.003300959e+00 -3.050162928e+00 -2.478365906e+00 2.98 -1.961200376e+00 -3.007637793e+00 -2.519735875e+00 3.00 -1.919693289e+00 -2.965080705e+00 -2.560662058e+00 3.02 -1.878789351e+00 -2.922537431e+00 -2.601051970e+00 3.04 -1.838496730e+00 -2.880050226e+00 -2.640792576e+00 3.06 -1.798822205e+00 -2.837658269e+00 -2.679751312e+00 3.08 -1.759771257e+00 -2.795397952e+00 -2.717777719e+00 3.10 -1.721348162e+00 -2.753303082e+00 -2.754705723e+00 3.12 -1.683556071e+00 -2.711405044e+00 -2.790356561e+00 3.14 -1.646397086e+00 -2.669732931e+00 -2.824542338e+00 3.16 -1.609872340e+00 -2.628313675e+00 -2.857070120e+00 3.18 -1.573982061e+00 -2.587172159e+00 -2.887746459e+00 3.20 -1.538725643e+00 -2.546331323e+00 -2.916382193e+00 3.22 -1.504101701e+00 -2.505812272e+00 -2.942797314e+00 3.24 -1.470108140e+00 -2.465634372e+00 -2.966825702e+00 3.26 -1.436742199e+00 -2.425815342e+00 -2.988319500e+00 3.28 -1.404000513e+00 -2.386371349e+00 -3.007152928e+00 3.30 -1.371879155e+00 -2.347317087e+00 -3.023225352e+00 3.32 -1.340373687e+00 -2.308665863e+00 -3.036463488e+00 3.34 -1.309479199e+00 -2.270429673e+00 -3.046822667e+00 3.36 -1.279190354e+00 -2.232619276e+00 -3.054287135e+00 3.38 -1.249501424e+00 -2.195244266e+00 -3.058869452e+00 3.40 -1.220406328e+00 -2.158313137e+00 -3.060609078e+00 3.42 -1.191898664e+00 -2.121833346e+00 -3.059570269e+00 3.44 -1.163971742e+00 -2.085811380e+00 -3.055839454e+00 3.46 -1.136618613e+00 -2.050252805e+00 -3.049522240e+00 3.48 -1.109832099e+00 -2.015162330e+00 -3.040740218e+00 3.50 -1.083604818e+00 -1.980543853e+00 -3.029627692e+00 3.52 -1.057929209e+00 -1.946400514e+00 -3.016328482e+00 3.54 -1.032797553e+00 -1.912734741e+00 -3.000992865e+00 3.56 -1.008201998e+00 -1.879548297e+00 -2.983774762e+00 3.58 -9.841345781e-01 -1.846842321e+00 -2.964829193e+00 3.60 -9.605872299e-01 -1.814617368e+00 -2.944310045e+00 3.62 -9.375518131e-01 -1.782873450e+00 -2.922368168e+00 3.64 -9.150201255e-01 -1.751610072e+00 -2.899149791e+00 3.66 -8.929839186e-01 -1.720826263e+00 -2.874795249e+00 3.68 -8.714349114e-01 -1.690520616e+00 -2.849438006e+00 3.70 -8.503648039e-01 -1.660691311e+00 -2.823203944e+00 3.72 -8.297652893e-01 -1.631336152e+00 -2.796210899e+00 3.74 -8.096280654e-01 -1.602452589e+00 -2.768568397e+00 3.76 -7.899448446e-01 -1.574037748e+00 -2.740377582e+00 3.78 -7.707073646e-01 -1.546088455e+00 -2.711731290e+00 3.80 -7.519073962e-01 -1.518601260e+00 -2.682714247e+00 3.82 -7.335367525e-01 -1.491572459e+00 -2.653403365e+00 3.84 -7.155872959e-01 -1.464998113e+00 -2.623868110e+00 3.86 -6.980509454e-01 -1.438874073e+00 -2.594170928e+00 3.88 -6.809196827e-01 -1.413195994e+00 -2.564367701e+00 3.90 -6.641855582e-01 -1.387959356e+00 -2.534508220e+00 3.92 -6.478406964e-01 -1.363159478e+00 -2.504636676e+00 3.94 -6.318773004e-01 -1.338791535e+00 -2.474792130e+00 3.96 -6.162876564e-01 -1.314850575e+00 -2.445008990e+00 3.98 -6.010641377e-01 -1.291331528e+00 -2.415317451e+00 4.00 -5.861992082e-01 -1.268229224e+00 -2.385743926e+00 4.02 -5.716854255e-01 -1.245538404e+00 -2.356311443e+00 4.04 -5.575154435e-01 -1.223253729e+00 -2.327040015e+00 4.06 -5.436820151e-01 -1.201369794e+00 -2.297946981e+00 4.08 -5.301779944e-01 -1.179881139e+00 -2.269047322e+00 4.10 -5.169963383e-01 -1.158782253e+00 -2.240353938e+00 4.12 -5.041301080e-01 -1.138067591e+00 -2.211877904e+00 4.14 -4.915724707e-01 -1.117731575e+00 -2.183628704e+00 4.16 -4.793167004e-01 -1.097768609e+00 -2.155614422e+00 4.18 -4.673561790e-01 -1.078173079e+00 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