# Potential energy (eV/atom) vs. nearest neighbor 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 # composition = CoMn3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 2.292877613e+02 nan nan 0.98 2.095080973e+02 nan nan 1.00 1.916068809e+02 nan nan 1.02 1.752203120e+02 nan nan 1.04 1.603875589e+02 nan nan 1.06 1.467488366e+02 nan nan 1.08 1.342806778e+02 1.999248482e+02 nan 1.10 1.229531425e+02 1.843043380e+02 2.090782577e+02 1.12 1.124510600e+02 1.697384912e+02 1.928807081e+02 1.14 1.029910049e+02 1.562929019e+02 1.782288835e+02 1.16 9.418453006e+01 1.440562731e+02 1.644741862e+02 1.18 8.619283212e+01 1.327324381e+02 1.518720354e+02 1.20 7.873525359e+01 1.225744993e+02 1.403192370e+02 1.22 7.205669397e+01 1.129385192e+02 1.297883453e+02 1.24 6.576138305e+01 1.039867631e+02 1.198631143e+02 1.26 6.014761314e+01 9.585495689e+01 1.107609418e+02 1.28 5.482887444e+01 8.831411062e+01 1.023084200e+02 1.30 5.006421560e+01 8.135420386e+01 9.441808745e+01 1.32 4.558864912e+01 7.482945870e+01 8.723157502e+01 1.34 4.144222979e+01 6.899086673e+01 8.044568305e+01 1.36 3.771164924e+01 6.339885403e+01 7.422747592e+01 1.38 3.426485707e+01 5.824610520e+01 6.853836296e+01 1.40 3.103002179e+01 5.346597296e+01 6.313122264e+01 1.42 2.812095471e+01 4.904527403e+01 5.818650714e+01 1.44 2.548120960e+01 4.513838745e+01 5.353773902e+01 1.46 2.297013181e+01 4.146973527e+01 4.941715495e+01 1.48 2.064323024e+01 3.793451940e+01 4.540160609e+01 1.50 1.850526866e+01 3.466372441e+01 4.175763913e+01 1.52 1.664217416e+01 3.170302501e+01 3.829724112e+01 1.54 1.485723960e+01 2.902307282e+01 3.521634181e+01 1.56 1.318771532e+01 2.641119738e+01 3.222691186e+01 1.58 1.167211017e+01 2.401697093e+01 2.948818765e+01 1.60 1.026448142e+01 2.177895221e+01 2.691391959e+01 1.62 9.083819578e+00 1.970857495e+01 2.452668822e+01 1.64 7.889267129e+00 1.779347587e+01 2.244043900e+01 1.66 6.795066078e+00 1.608552314e+01 2.037485409e+01 1.68 5.793397935e+00 1.450439072e+01 1.845999885e+01 1.70 4.877069099e+00 1.297836622e+01 1.668508935e+01 1.72 4.101917006e+00 1.156823556e+01 1.504016056e+01 1.74 3.383010682e+00 1.032945839e+01 1.351599781e+01 1.76 2.689744239e+00 9.120502022e+00 1.229687949e+01 1.78 2.042788747e+00 8.004688529e+00 1.097119139e+01 1.80 1.453883861e+00 6.975321487e+00 9.744228339e+00 1.82 9.412774899e-01 6.111180589e+00 8.677321543e+00 1.84 4.532381469e-01 5.228880168e+00 7.621326526e+00 1.86 4.267442580e-02 4.543702671e+00 6.645274369e+00 1.88 -3.062026876e-01 3.784791212e+00 5.743577467e+00 1.90 -6.542546600e-01 3.087123679e+00 4.979319143e+00 1.92 -9.881715129e-01 2.446308753e+00 4.205219901e+00 1.94 -1.288333737e+00 1.890973705e+00 3.491504941e+00 1.96 -1.557405471e+00 1.349135709e+00 2.833968672e+00 1.98 -1.797849545e+00 8.530178112e-01 2.228700719e+00 2.00 -2.011943119e+00 3.993366986e-01 1.738501443e+00 2.02 -2.201792015e+00 -1.495827492e-02 1.221605057e+00 2.04 -2.369343877e+00 -3.927023800e-01 7.472600946e-01 2.06 -2.471413902e+00 -7.365314142e-01 3.124963646e-01 2.08 -2.585740185e+00 -1.048896336e+00 -8.545192460e-02 2.10 -2.690350915e+00 -1.274754565e+00 -3.816581713e-01 2.12 -2.782387642e+00 -1.504153632e+00 -6.864861282e-01 2.14 -2.868389843e+00 -1.741801313e+00 -9.962029464e-01 2.16 -2.940636318e+00 -1.955674575e+00 -1.277816956e+00 2.18 -3.000291332e+00 -2.147523025e+00 -1.533317256e+00 2.20 -3.048431847e+00 -2.318974994e+00 -1.764558114e+00 2.22 -3.086053991e+00 -2.471546103e+00 -1.973268365e+00 2.24 -3.081361704e+00 -2.541212557e+00 -2.144701466e+00 2.26 -3.103077889e+00 -2.665029743e+00 -2.314296372e+00 2.28 -3.116655729e+00 -2.773551471e+00 -2.465788119e+00 2.30 -3.122836632e+00 -2.867942739e+00 -2.600491365e+00 2.32 -3.092487804e+00 -2.949288080e+00 -2.719632442e+00 2.34 -3.033566413e+00 -3.018597111e+00 -2.824355349e+00 2.36 -3.027330119e+00 -3.076809680e+00 -2.915727318e+00 2.38 -3.015722826e+00 -3.124800646e+00 -2.994743983e+00 2.40 -2.999272688e+00 -3.163384321e+00 -2.934504468e+00 2.42 -2.978467315e+00 -3.193318590e+00 -3.000459559e+00 2.44 -2.953756702e+00 -3.146894683e+00 -3.056042163e+00 2.46 -2.925555950e+00 -3.166261167e+00 -3.102049189e+00 2.48 -2.894247792e+00 -3.178633633e+00 -3.139223911e+00 2.50 -2.860184929e+00 -3.184601366e+00 -3.168259516e+00 2.52 -2.823692207e+00 -3.120099649e+00 -3.189802401e+00 2.54 -2.785068632e+00 -3.119162116e+00 -3.204455255e+00 2.56 -2.744589244e+00 -3.113066694e+00 -3.212779927e+00 2.58 -2.702506853e+00 -3.102272591e+00 -3.193006194e+00 2.60 -2.659053654e+00 -3.087206616e+00 -3.191654876e+00 2.62 -2.614442728e+00 -3.068265336e+00 -3.185348479e+00 2.64 -2.568869432e+00 -3.045817098e+00 -3.174516520e+00 2.66 -2.522512695e+00 -3.020203912e+00 -3.159559014e+00 2.68 -2.475536219e+00 -2.991743204e+00 -3.140848395e+00 2.70 -2.412736171e+00 -2.960729463e+00 -3.118731312e+00 2.72 -2.365908070e+00 -2.927435767e+00 -3.093530308e+00 2.74 -2.318811934e+00 -2.875578435e+00 -3.065545383e+00 2.76 -2.236398568e+00 -2.839477960e+00 -3.035055465e+00 2.78 -2.191245895e+00 -2.801740381e+00 -3.002319774e+00 2.80 -2.146014883e+00 -2.762570259e+00 -2.967579111e+00 2.82 -2.084885109e+00 -2.722156790e+00 -2.863170230e+00 2.84 -2.040716246e+00 -2.680674828e+00 -2.829101239e+00 2.86 -1.996672926e+00 -2.638285853e+00 -2.793412800e+00 2.88 -1.952828869e+00 -2.595138869e+00 -2.756297208e+00 2.90 -1.909250584e+00 -2.551371242e+00 -2.717932799e+00 2.92 -1.865997917e+00 -2.507109488e+00 -2.678484857e+00 2.94 -1.823124545e+00 -2.462470007e+00 -2.638106459e+00 2.96 -1.780678455e+00 -2.417559767e+00 -2.596939267e+00 2.98 -1.738702367e+00 -2.372476952e+00 -2.555114279e+00 3.00 -1.697234150e+00 -2.327311555e+00 -2.512752519e+00 3.02 -1.656307190e+00 -2.282145943e+00 -2.469965693e+00 3.04 -1.615950745e+00 -2.237055382e+00 -2.426856801e+00 3.06 -1.576190270e+00 -2.192108525e+00 -2.383520706e+00 3.08 -1.537047718e+00 -2.147367872e+00 -2.340044679e+00 3.10 -1.498541824e+00 -2.102890200e+00 -2.296508894e+00 3.12 -1.460688361e+00 -2.058726959e+00 -2.252986904e+00 3.14 -1.423500390e+00 -2.014924654e+00 -2.209546084e+00 3.16 -1.370275283e+00 -1.949334036e+00 -2.132821645e+00 3.18 -1.335337583e+00 -1.907556283e+00 -2.091502323e+00 3.20 -1.301043242e+00 -1.866190038e+00 -2.050338834e+00 3.22 -1.267399043e+00 -1.825268582e+00 -2.009382686e+00 3.24 -1.234409900e+00 -1.784821618e+00 -1.968680776e+00 3.26 -1.202079024e+00 -1.744875521e+00 -1.928275701e+00 3.28 -1.170408069e+00 -1.705453584e+00 -1.888206049e+00 3.30 -1.139397275e+00 -1.599913419e+00 -1.848506675e+00 3.32 -1.109045595e+00 -1.564999764e+00 -1.809208958e+00 3.34 -1.079350818e+00 -1.530490977e+00 -1.770341040e+00 3.36 -1.050309674e+00 -1.496408851e+00 -1.731928054e+00 3.38 -9.908460213e-01 -1.462772654e+00 -1.693992332e+00 3.40 -9.646455640e-01 -1.429599312e+00 -1.656553608e+00 3.42 -9.390068941e-01 -1.396903578e+00 -1.619629199e+00 3.44 -9.139272500e-01 -1.364698189e+00 -1.583234182e+00 3.46 -8.894030757e-01 -1.332994019e+00 -1.547381556e+00 3.48 -8.654300989e-01 -1.301800216e+00 -1.512082392e+00 3.50 -8.240741080e-01 -1.271124332e+00 -1.477345982e+00 3.52 -8.020521581e-01 -1.240972446e+00 -1.443179964e+00 3.54 -7.805235195e-01 -1.211349281e+00 -1.409590455e+00 3.56 -7.594837031e-01 -1.182258304e+00 -1.376582164e+00 3.58 -7.389277239e-01 -1.153701833e+00 -1.344158501e+00 3.60 -7.188501536e-01 -1.125681124e+00 -1.312321682e+00 3.62 -6.992451704e-01 -1.098196463e+00 -1.281072823e+00 3.64 -6.732883536e-01 -1.071247244e+00 -1.182427987e+00 3.66 -6.549268072e-01 -1.044832047e+00 -1.155499501e+00 3.68 -6.370037695e-01 -1.018948706e+00 -1.129011682e+00 3.70 -6.195129443e-01 -9.935943798e-01 -1.102968709e+00 3.72 -6.024478077e-01 -9.687656081e-01 -1.077373752e+00 3.74 -5.858016400e-01 -9.444583729e-01 -1.052229057e+00 3.76 -5.695675556e-01 -9.206681501e-01 -1.027536008e+00 3.78 -5.537385298e-01 -8.973899601e-01 -1.003295202e+00 3.80 -5.383074242e-01 -8.746184135e-01 -9.795065074e-01 3.82 -5.232670097e-01 -8.523477547e-01 -9.561691261e-01 3.84 -5.086099876e-01 -8.305719019e-01 -9.332816455e-01 3.86 -4.943290090e-01 -7.750883950e-01 -9.108420924e-01 3.88 -4.804166928e-01 -7.557766251e-01 -8.888479800e-01 3.90 -4.668656418e-01 -7.368748241e-01 -8.672963541e-01 3.92 -4.536684575e-01 -7.183787562e-01 -8.461838345e-01 3.94 -4.408177541e-01 -7.002839015e-01 -8.255066548e-01 3.96 -4.283061701e-01 -6.825854862e-01 -8.052606993e-01 3.98 -4.161263803e-01 -6.652785112e-01 -7.854415373e-01 4.00 -4.042711051e-01 -6.483577779e-01 -7.660444550e-01 4.02 -3.927331204e-01 -6.318179132e-01 -7.470644856e-01 4.04 -3.815052654e-01 -6.156533919e-01 -7.284964374e-01 4.06 -3.705804503e-01 -5.998585578e-01 -7.103349192e-01 4.08 -3.599516624e-01 -5.844276435e-01 -6.925743649e-01 4.10 -3.496119726e-01 -5.693547882e-01 -6.752090561e-01 4.12 -3.395545403e-01 -5.546340548e-01 -6.582331424e-01 4.14 -3.297726178e-01 -5.402594451e-01 -6.416406614e-01 4.16 -3.202595549e-01 -5.262249146e-01 -6.254255563e-01 4.18 -3.110088017e-01 -5.125243852e-01 -6.095816931e-01 4.20 -3.020139121e-01 -4.991517579e-01 -5.941028753e-01 4.22 -2.932685461e-01 -4.861009236e-01 -5.789828589e-01 4.24 -2.847664719e-01 -4.733657738e-01 -5.642153653e-01 4.26 -2.765015678e-01 -4.609402098e-01 -5.497940936e-01 4.28 -2.684678235e-01 -4.488181516e-01 -5.357127318e-01 4.30 -2.606593412e-01 -4.369935457e-01 -5.219649672e-01 4.32 -2.530703360e-01 -4.254603724e-01 -5.085444960e-01 4.34 -2.456951370e-01 -4.142126524e-01 -4.954450318e-01 4.36 -2.385281873e-01 -4.032444529e-01 -4.826603140e-01 4.38 -2.315640435e-01 -3.925498927e-01 -4.701841147e-01 4.40 -2.247973765e-01 -3.821231474e-01 -4.580102459e-01 4.42 -2.182229700e-01 -3.719584540e-01 -4.461325650e-01 4.44 -2.118357210e-01 -3.620501143e-01 -4.345449808e-01 4.46 -2.056306382e-01 -3.523924987e-01 -4.062375916e-01 4.48 -1.996028418e-01 -3.429800498e-01 -3.958573662e-01 4.50 -1.937475619e-01 -3.338072842e-01 -3.857249365e-01 4.52 -1.880601381e-01 -3.248687958e-01 -3.758353755e-01 4.54 -1.825360177e-01 -3.161592574e-01 -3.661837942e-01 4.56 -1.771707549e-01 -3.076734227e-01 -3.567653457e-01 4.58 -1.719600089e-01 -2.994061278e-01 -3.475752288e-01 4.60 -1.668995430e-01 -2.913522926e-01 -3.386086915e-01 4.62 -1.619852227e-01 -2.835069214e-01 -3.298610339e-01 4.64 -1.572130145e-01 -2.758651044e-01 -3.213276108e-01 4.66 -1.525789839e-01 -2.684220178e-01 -3.130038344e-01 4.68 -1.480792940e-01 -2.611729244e-01 -3.048851759e-01 4.70 -1.437102040e-01 -2.541131739e-01 -2.969671679e-01 4.72 -1.394680671e-01 -2.472382030e-01 -2.892454058e-01 4.74 -1.353493291e-01 -2.405435353e-01 -2.817155490e-01 4.76 -1.313505266e-01 -2.340247813e-01 -2.743733225e-01 4.78 -1.274682850e-01 -2.276776379e-01 -2.672145179e-01 4.80 -1.236993172e-01 -2.214978882e-01 -2.602349936e-01 4.82 -1.200404215e-01 -2.154814007e-01 -2.534306764e-01 4.84 -1.164884800e-01 -2.096241293e-01 -2.467975613e-01 4.86 -1.130404567e-01 -2.039221118e-01 -2.403317123e-01 4.88 -1.096933961e-01 -1.983714698e-01 -2.340292625e-01 4.90 -1.064444210e-01 -1.929684076e-01 -2.278864142e-01 4.92 -1.032907309e-01 -1.877092115e-01 -2.218994390e-01 4.94 -1.002296008e-01 -1.825902487e-01 -2.160646775e-01 4.96 -9.725837862e-02 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