# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--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 Ni Ni Fe Mn Cr Cr Fe Fe Al Co Cr Ni Mn Mn Co Ni Cr Mn Fe Ni Co Co Al Fe Co Mn Al Cr Co Cr Cr Fe Co Fe Al Ni Al Al Al Mn Mn Ni 0.02 7.761120216e+02 7.410171306e+02 1.112091054e+03 7.753685477e+02 6.708933520e+02 9.278063874e+02 7.094765773e+02 8.259917267e+02 8.887851709e+02 7.760307345e+02 8.792993277e+02 6.258523763e+02 7.895861169e+02 7.569926957e+02 9.882607574e+02 9.286624689e+02 8.264321947e+02 7.142657709e+02 4.910145130e+02 6.005154398e+02 7.409050674e+02 0.04 7.340123634e+02 7.011258529e+02 1.049946326e+03 7.341025388e+02 6.368605342e+02 8.767209272e+02 6.708475548e+02 7.809121831e+02 8.397560492e+02 7.343326583e+02 8.310183272e+02 5.946329589e+02 7.464141543e+02 7.182238952e+02 9.335174500e+02 8.780038033e+02 7.817512956e+02 6.783260259e+02 4.681601560e+02 5.701913135e+02 7.006415903e+02 0.06 6.941695935e+02 6.633588143e+02 9.912405703e+02 6.950072933e+02 6.045335347e+02 8.284182179e+02 6.343005559e+02 7.382648936e+02 7.934048104e+02 6.948490064e+02 7.853590445e+02 5.649517838e+02 7.055777536e+02 6.814184592e+02 8.817751294e+02 8.300792527e+02 7.394587196e+02 6.441738346e+02 4.463555861e+02 5.413809908e+02 6.625423607e+02 0.08 6.564634267e+02 6.276035042e+02 9.357843996e+02 6.579692754e+02 5.738273572e+02 7.827474794e+02 5.997239264e+02 6.979193669e+02 7.495859126e+02 6.574628579e+02 7.421798977e+02 5.367335176e+02 6.669512256e+02 6.464775066e+02 8.328701310e+02 7.847420302e+02 6.994275200e+02 6.117207952e+02 4.255528947e+02 5.140093282e+02 6.264916736e+02 0.10 6.207799696e+02 5.937533556e+02 8.833988312e+02 6.228808704e+02 5.446612281e+02 7.395660798e+02 5.670119844e+02 6.597520931e+02 7.081617049e+02 6.220634476e+02 7.013469297e+02 5.099065049e+02 6.304156272e+02 6.133071226e+02 7.866476924e+02 7.418532089e+02 6.615374785e+02 5.808828653e+02 4.057063525e+02 4.880049015e+02 5.923799932e+02 0.12 5.870113821e+02 5.617074308e+02 8.339147162e+02 5.896400765e+02 5.169583871e+02 6.987390957e+02 5.360647021e+02 6.236461703e+02 6.690019995e+02 5.885458420e+02 6.627333985e+02 4.844025892e+02 5.958584002e+02 5.818181091e+02 7.429614707e+02 7.012813010e+02 6.256747493e+02 5.515801472e+02 3.867723108e+02 4.632998225e+02 5.601036242e+02 0.14 5.550555557e+02 5.313701246e+02 7.871721995e+02 5.581502123e+02 4.906458878e+02 6.601388958e+02 5.067874029e+02 5.894909517e+02 6.319836676e+02 5.568106331e+02 6.262193888e+02 4.601569424e+02 5.631730286e+02 5.519257491e+02 7.016730846e+02 6.629018605e+02 5.917315221e+02 5.237366836e+02 3.687091064e+02 4.398295635e+02 5.295644009e+02 0.16 5.248158098e+02 5.026508834e+02 7.430202100e+02 5.283196396e+02 4.656544089e+02 6.236447478e+02 4.790904760e+02 5.571817116e+02 5.969902578e+02 5.267636477e+02 5.916914447e+02 4.371079023e+02 5.322587148e+02 5.235495808e+02 6.626516818e+02 6.265971066e+02 5.596057022e+02 4.972802640e+02 3.514769720e+02 4.175327919e+02 5.006693929e+02 0.18 4.962006031e+02 4.754639381e+02 7.013159782e+02 5.000615010e+02 4.419180738e+02 5.891424458e+02 4.528891056e+02 5.266193286e+02 5.639116337e+02 4.983156723e+02 5.590422227e+02 4.151968186e+02 5.030200732e+02 4.966131852e+02 6.257735303e+02 5.922555669e+02 5.292006080e+02 4.721422399e+02 3.350379496e+02 3.963512117e+02 4.733306261e+02 0.20 4.691232612e+02 4.497280520e+02 6.619245814e+02 4.732934709e+02 4.193742801e+02 5.565239581e+02 4.281030146e+02 4.977099865e+02 5.326436322e+02 4.713821920e+02 5.281701628e+02 3.943679056e+02 4.753668399e+02 4.710439826e+02 5.909216312e+02 5.597717403e+02 5.004246846e+02 4.482573491e+02 3.193558090e+02 3.762294136e+02 4.474648188e+02 0.22 4.435017182e+02 4.253662819e+02 6.247185121e+02 4.479375192e+02 3.979635373e+02 5.256870937e+02 4.046562222e+02 4.703648909e+02 5.030877404e+02 4.458831439e+02 4.989791769e+02 3.745681028e+02 4.492135981e+02 4.467730403e+02 5.579853530e+02 5.290457775e+02 4.731912324e+02 4.255635495e+02 3.043959684e+02 3.571147325e+02 4.229931318e+02 0.24 4.192582721e+02 4.023057508e+02 5.895772718e+02 4.239196876e+02 3.776293119e+02 4.965351875e+02 3.824768143e+02 4.445000004e+02 4.751507888e+02 4.217426828e+02 4.713783552e+02 3.557469419e+02 4.244795185e+02 4.237348895e+02 5.268600855e+02 4.999831788e+02 4.474181499e+02 4.040018602e+02 2.901254204e+02 3.389571113e+02 3.998409322e+02 0.26 3.963193531e+02 3.804774341e+02 5.563869860e+02 4.011698778e+02 3.583178808e+02 4.689768015e+02 3.614967260e+02 4.200357732e+02 4.487446627e+02 3.988889591e+02 4.452816872e+02 3.378564204e+02 4.010881129e+02 4.018673518e+02 4.974469127e+02 4.724945079e+02 4.230276905e+02 3.835162105e+02 2.765126597e+02 3.217089725e+02 3.779375686e+02 0.28 3.746153044e+02 3.598159562e+02 5.250400405e+02 3.796216499e+02 3.399781922e+02 4.429254428e+02 3.416515361e+02 3.968969261e+02 4.237860276e+02 3.772539092e+02 4.206077980e+02 3.208508816e+02 3.789670017e+02 3.811113737e+02 4.696523035e+02 4.464951209e+02 3.999462315e+02 3.640532969e+02 2.635276157e+02 3.053250953e+02 3.572161596e+02 0.30 3.540801741e+02 3.402593973e+02 4.954347381e+02 3.592120324e+02 3.225617327e+02 4.182992967e+02 3.228802724e+02 3.750122073e+02 4.001960711e+02 3.567730560e+02 3.972796992e+02 3.046868997e+02 3.580476935e+02 3.614108703e+02 4.433878185e+02 4.219049102e+02 3.781040561e+02 3.455624468e+02 2.511415864e+02 2.897624990e+02 3.376133931e+02 0.32 3.346515191e+02 3.217491119e+02 4.674749736e+02 3.398813410e+02 3.060224013e+02 3.950209742e+02 3.051252270e+02 3.543141805e+02 3.779002571e+02 3.373853206e+02 3.752245529e+02 2.893231715e+02 3.382653767e+02 3.427125760e+02 4.185698339e+02 3.986480616e+02 3.574351466e+02 3.279954886e+02 2.393271770e+02 2.749803326e+02 3.190693355e+02 0.34 3.162702182e+02 3.042295554e+02 4.410699266e+02 3.215730075e+02 2.903163899e+02 3.730172725e+02 2.883317823e+02 3.347390216e+02 3.568280950e+02 3.190328431e+02 3.543734481e+02 2.747204123e+02 3.195587218e+02 3.249659030e+02 3.951192796e+02 3.766528248e+02 3.378769882e+02 3.113066286e+02 2.280582401e+02 2.609397691e+02 3.015272524e+02 0.36 2.988802962e+02 2.876481207e+02 4.161337720e+02 3.042334175e+02 2.754020694e+02 3.522189497e+02 2.724482455e+02 3.162263249e+02 3.369129197e+02 3.016608138e+02 3.346611894e+02 2.608412581e+02 3.018696953e+02 3.081228072e+02 3.729613914e+02 3.558512959e+02 3.193703837e+02 2.954523339e+02 2.173098191e+02 2.476039056e+02 2.849334379e+02 0.38 2.824287565e+02 2.719549831e+02 3.925854052e+02 2.878117565e+02 2.612398814e+02 3.325605105e+02 2.574256924e+02 2.987189210e+02 3.180916850e+02 2.852173122e+02 3.160260974e+02 2.476501716e+02 2.851433822e+02 2.921376605e+02 3.520254773e+02 3.361792113e+02 3.018592778e+02 2.803912211e+02 2.070580939e+02 2.349376679e+02 2.692370532e+02 0.40 2.668654233e+02 2.571029532e+02 3.703481831e+02 2.722598639e+02 2.477922355e+02 3.139800037e+02 2.432178191e+02 2.821627032e+02 3.003047672e+02 2.696531557e+02 2.984098191e+02 2.351133527e+02 2.693278193e+02 2.769671293e+02 3.322446957e+02 3.175757535e+02 2.852905906e+02 2.660839503e+02 1.972803297e+02 2.229077206e+02 2.543899740e+02 0.42 2.521427914e+02 2.430473382e+02 3.493496790e+02 2.575320946e+02 2.350234118e+02 2.964188314e+02 2.297808026e+02 2.665064644e+02 2.834957796e+02 2.549217548e+02 2.817571493e+02 2.231986545e+02 2.543738364e+02 2.625700596e+02 3.135558468e+02 2.999833662e+02 2.696140602e+02 2.524931241e+02 1.879548274e+02 2.114823805e+02 2.403466456e+02 0.44 2.382158847e+02 2.297458099e+02 3.295214516e+02 2.435851881e+02 2.228994677e+02 2.798215672e+02 2.170731673e+02 2.517017415e+02 2.676113974e+02 2.409789772e+02 2.660158605e+02 2.118755020e+02 2.402349071e+02 2.489073676e+02 2.958991737e+02 2.833475799e+02 2.547820932e+02 2.395831926e+02 1.790608764e+02 2.006315351e+02 2.270639463e+02 0.46 2.250421216e+02 2.171582798e+02 3.107988255e+02 2.303781441e+02 2.113881499e+02 2.641357854e+02 2.050556602e+02 2.377026689e+02 2.526011914e+02 2.277830184e+02 2.511365434e+02 2.011148160e+02 2.268670062e+02 2.359419356e+02 2.792181760e+02 2.676168469e+02 2.407496233e+02 2.273203615e+02 1.705787099e+02 1.903265651e+02 2.145010575e+02 0.48 2.125811881e+02 2.052467808e+02 2.931206848e+02 2.178721048e+02 2.004588106e+02 2.493118988e+02 1.936911316e+02 2.244658398e+02 2.384174715e+02 2.152942791e+02 2.370724546e+02 1.908889394e+02 2.142284760e+02 2.236385133e+02 2.634594324e+02 2.527423847e+02 2.274739777e+02 2.156725063e+02 1.624894620e+02 1.805402702e+02 2.026193411e+02 0.50 2.007949170e+02 1.939753556e+02 2.764292772e+02 2.060302431e+02 1.900823275e+02 2.353030051e+02 1.829444229e+02 2.119501745e+02 2.250151378e+02 2.034752491e+02 2.237793734e+02 1.811715685e+02 2.022798993e+02 2.119636246e+02 2.485724331e+02 2.386780280e+02 2.149147501e+02 2.046090896e+02 1.547751264e+02 1.712467992e+02 1.913822233e+02 0.52 1.896471744e+02 1.833099501e+02 2.606700300e+02 1.948176568e+02 1.802310281e+02 2.220647422e+02 1.727822600e+02 2.001167957e+02 2.123515406e+02 1.922903977e+02 2.112154659e+02 1.719376863e+02 1.909839789e+02 2.008854776e+02 2.345094218e+02 2.253800888e+02 2.030336807e+02 1.941010828e+02 1.474185179e+02 1.624215828e+02 1.807550846e+02 0.54 1.791037511e+02 1.732183129e+02 2.457913748e+02 1.842012680e+02 1.708786179e+02 2.095551508e+02 1.631731525e+02 1.889289114e+02 2.003863473e+02 1.817060692e+02 1.993411565e+02 1.631635005e+02 1.803054240e+02 1.903738809e+02 2.212252457e+02 2.128072235e+02 1.917945422e+02 1.841208922e+02 1.404032347e+02 1.540412708e+02 1.707051552e+02 0.56 1.691322606e+02 1.636699007e+02 2.317445825e+02 1.741497285e+02 1.620001120e+02 1.977345447e+02 1.540872984e+02 1.783517028e+02 1.890814170e+02 1.716903842e+02 1.881190064e+02 1.548263828e+02 1.702108427e+02 1.804001628e+02 2.086772142e+02 2.009203078e+02 1.811630326e+02 1.746422878e+02 1.337136226e+02 1.460836714e+02 1.612014171e+02 0.58 1.597020422e+02 1.546357872e+02 2.184836077e+02 1.646333291e+02 1.535717697e+02 1.865653877e+02 1.454964938e+02 1.683522188e+02 1.784006816e+02 1.622131463e+02 1.775135981e+02 1.469048129e+02 1.606686397e+02 1.709370952e+02 1.968249647e+02 1.896823175e+02 1.711066727e+02 1.656403362e+02 1.273347415e+02 1.385276938e+02 1.522145103e+02 0.60 1.507840695e+02 1.460885785e+02 2.059649412e+02 1.556239146e+02 1.455710330e+02 1.760121777e+02 1.373740471e+02 1.588992762e+02 1.683100334e+02 1.532457534e+02 1.674914272e+02 1.393783239e+02 1.516489202e+02 1.619588207e+02 1.856303360e+02 1.790582161e+02 1.615947096e+02 1.570913368e+02 1.212523326e+02 1.313532939e+02 1.437166444e+02 0.62 1.423508633e+02 1.380023316e+02 1.941474703e+02 1.470948021e+02 1.379764678e+02 1.660413368e+02 1.296946988e+02 1.499633653e+02 1.587772190e+02 1.447611138e+02 1.580207990e+02 1.322274511e+02 1.431233985e+02 1.534407844e+02 1.750572486e+02 1.690148485e+02 1.525980254e+02 1.489727607e+02 1.154527876e+02 1.245414224e+02 1.356815150e+02 0.64 1.343764094e+02 1.303524781e+02 1.829923475e+02 1.390207051e+02 1.307677079e+02 1.566211068e+02 1.224345440e+02 1.415165601e+02 1.497717384e+02 1.367335665e+02 1.490717310e+02 1.254336831e+02 1.350653116e+02 1.453596679e+02 1.650715917e+02 1.595208405e+02 1.440890504e+02 1.412631935e+02 1.099231187e+02 1.180739757e+02 1.280842245e+02 0.66 1.268360809e+02 1.231157514e+02 1.724628658e+02 1.313776597e+02 1.239254023e+02 1.477214517e+02 1.155709607e+02 1.335324335e+02 1.412647503e+02 1.291388063e+02 1.406158608e+02 1.189794149e+02 1.274493375e+02 1.376933278e+02 1.556411156e+02 1.505465026e+02 1.360416808e+02 1.339422798e+02 1.046509312e+02 1.119337489e+02 1.209012070e+02 0.68 1.197065641e+02 1.162701180e+02 1.625243412e+02 1.241429565e+02 1.174311643e+02 1.393139637e+02 1.090825406e+02 1.259859773e+02 1.332289819e+02 1.219538118e+02 1.326263587e+02 1.128479042e+02 1.202515179e+02 1.304207358e+02 1.467353307e+02 1.420637408e+02 1.284312016e+02 1.269906710e+02 9.962439548e+01 1.061043915e+02 1.141101573e+02 0.70 1.129657893e+02 1.097947121e+02 1.531440016e+02 1.172950745e+02 1.112675241e+02 1.313717760e+02 1.029490246e+02 1.188535263e+02 1.256386439e+02 1.151567783e+02 1.250778452e+02 1.070232290e+02 1.134491849e+02 1.235219237e+02 1.383254119e+02 1.340459704e+02 1.212342121e+02 1.203899761e+02 9.483222221e+01 1.005703648e+02 1.076899636e+02 0.72 1.065928641e+02 1.036697744e+02 1.442908815e+02 1.108136195e+02 1.054178827e+02 1.238694788e+02 9.715124086e+01 1.121126861e+02 1.184693501e+02 1.087270535e+02 1.179463131e+02 1.014902472e+02 1.070208917e+02 1.169779295e+02 1.303841076e+02 1.264680354e+02 1.144285570e+02 1.141227140e+02 9.026363725e+01 9.531690226e+01 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