# 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 = Cr3Ni # 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 2.923394255e+02 nan nan 0.98 2.668693087e+02 nan nan 1.00 2.438157116e+02 nan nan 1.02 2.227361109e+02 nan nan 1.04 2.036509062e+02 nan nan 1.06 1.861279110e+02 nan nan 1.08 1.701137337e+02 2.544921019e+02 nan 1.10 1.555745860e+02 2.343672130e+02 2.662766812e+02 1.12 1.421178934e+02 2.156406837e+02 2.454394119e+02 1.14 1.299846917e+02 1.983721096e+02 2.265664455e+02 1.16 1.187183436e+02 1.826479056e+02 2.088939347e+02 1.18 1.084887419e+02 1.681131133e+02 1.927014410e+02 1.20 9.896780415e+01 1.550472739e+02 1.778560046e+02 1.22 9.042665509e+01 1.426967390e+02 1.643145384e+02 1.24 8.240446127e+01 1.312394161e+02 1.515859911e+02 1.26 7.523412548e+01 1.208223706e+02 1.399118028e+02 1.28 6.846962959e+01 1.111731793e+02 1.290821482e+02 1.30 6.240270402e+01 1.022729245e+02 1.189890561e+02 1.32 5.671735194e+01 9.394764862e+01 1.097881408e+02 1.34 5.146029091e+01 8.647967647e+01 1.011232394e+02 1.36 4.672886959e+01 7.935730182e+01 9.318055433e+01 1.38 4.236058430e+01 7.279743600e+01 8.591047021e+01 1.40 3.827278955e+01 6.671875767e+01 7.902289279e+01 1.42 3.459329363e+01 6.110176143e+01 7.272097846e+01 1.44 3.125332176e+01 5.611994280e+01 6.680915252e+01 1.46 2.808887250e+01 5.145237161e+01 6.155051202e+01 1.48 2.516407004e+01 4.697577116e+01 5.645435037e+01 1.50 2.248010887e+01 4.283784795e+01 5.182414859e+01 1.52 2.013262019e+01 3.908841267e+01 4.744095920e+01 1.54 1.789691051e+01 3.569093901e+01 4.352728204e+01 1.56 1.581059090e+01 3.239836326e+01 3.974889787e+01 1.58 1.391772816e+01 2.938089048e+01 3.628688164e+01 1.60 1.216409540e+01 2.656592140e+01 3.303991814e+01 1.62 1.068563816e+01 2.396478827e+01 3.003196807e+01 1.64 9.203094979e+00 2.156159755e+01 2.739227041e+01 1.66 7.847481392e+00 1.941447611e+01 2.479638420e+01 1.68 6.608798473e+00 1.742948557e+01 2.239267030e+01 1.70 5.477851123e+00 1.552287133e+01 2.016726899e+01 1.72 4.520406722e+00 1.376349003e+01 1.810737644e+01 1.74 3.631159094e+00 1.221383567e+01 1.620115620e+01 1.76 2.781044939e+00 1.071036994e+01 1.465950408e+01 1.78 1.990192624e+00 9.324910596e+00 1.300741079e+01 1.80 1.272173451e+00 8.048882719e+00 1.148053595e+01 1.82 6.473875876e-01 6.972226343e+00 1.014840414e+01 1.84 5.586653096e-02 5.882844732e+00 8.838746145e+00 1.86 -4.407619957e-01 5.028019317e+00 7.630199246e+00 1.88 -8.654462170e-01 4.095299223e+00 6.515616935e+00 1.90 -1.285588613e+00 3.239637722e+00 5.567004597e+00 1.92 -1.683901694e+00 2.455437295e+00 4.613998298e+00 1.94 -2.040345361e+00 1.775041340e+00 3.737059750e+00 1.96 -2.358283534e+00 1.115304482e+00 2.930823100e+00 1.98 -2.640823207e+00 5.128336794e-01 2.190301827e+00 2.00 -2.890834522e+00 -3.654479887e-02 1.587135430e+00 2.02 -3.110969170e+00 -5.367063521e-01 9.580402643e-01 2.04 -3.303677289e+00 -9.912503166e-01 3.822431741e-01 2.06 -3.417822862e+00 -1.403520440e+00 -1.440321467e-01 2.08 -3.547116266e+00 -1.776623717e+00 -6.242998695e-01 2.10 -3.662929926e+00 -2.047419091e+00 -9.841376613e-01 2.12 -3.763344083e+00 -2.320012096e+00 -1.350923400e+00 2.14 -3.856159879e+00 -2.599886051e+00 -1.720620944e+00 2.16 -3.932270651e+00 -2.850362143e+00 -2.055408741e+00 2.18 -3.993129914e+00 -3.073647344e+00 -2.357802686e+00 2.20 -4.040080464e+00 -3.271793818e+00 -2.630146281e+00 2.22 -4.074362659e+00 -3.446709930e+00 -2.874622733e+00 2.24 -4.059569774e+00 -3.525065860e+00 -3.074490008e+00 2.26 -4.074705456e+00 -3.664403817e+00 -3.270616395e+00 2.28 -4.080138422e+00 -3.785043134e+00 -3.444464200e+00 2.30 -4.076786140e+00 -3.888443655e+00 -3.597687475e+00 2.32 -4.030106252e+00 -3.975962941e+00 -3.731827690e+00 2.34 -3.953346160e+00 -4.048863390e+00 -3.848321442e+00 2.36 -3.935250025e+00 -4.108318828e+00 -3.948507592e+00 2.38 -3.910890114e+00 -4.155420645e+00 -4.033633902e+00 2.40 -3.880913540e+00 -4.191183471e+00 -3.957794147e+00 2.42 -3.845916622e+00 -4.216550468e+00 -4.026651672e+00 2.44 -3.806448617e+00 -4.153593162e+00 -4.082966487e+00 2.46 -3.763015174e+00 -4.166199911e+00 -4.127731398e+00 2.48 -3.716081535e+00 -4.170481289e+00 -4.161871280e+00 2.50 -3.666075502e+00 -4.167166215e+00 -4.186247614e+00 2.52 -3.613390194e+00 -4.082579966e+00 -4.201662713e+00 2.54 -3.558386595e+00 -4.071084518e+00 -4.208863659e+00 2.56 -3.501395923e+00 -4.053542598e+00 -4.208545969e+00 2.58 -3.442721828e+00 -4.030518451e+00 -4.175759155e+00 2.60 -3.382642425e+00 -4.002535638e+00 -4.163987268e+00 2.62 -3.321412193e+00 -3.970079795e+00 -4.146396307e+00 2.64 -3.259263719e+00 -3.933601195e+00 -4.123514740e+00 2.66 -3.196409335e+00 -3.893517148e+00 -4.095833961e+00 2.68 -3.133042625e+00 -3.850214228e+00 -4.063810733e+00 2.70 -3.051102527e+00 -3.804050359e+00 -4.027869479e+00 2.72 -2.988386229e+00 -3.755356757e+00 -3.988404408e+00 2.74 -2.925565551e+00 -3.685455723e+00 -3.945781513e+00 2.76 -2.823441357e+00 -3.633779519e+00 -3.900340435e+00 2.78 -2.763218142e+00 -3.580351253e+00 -3.852396196e+00 2.80 -2.703114410e+00 -3.525416775e+00 -3.802240831e+00 2.82 -2.624314852e+00 -3.469202884e+00 -3.671957813e+00 2.84 -2.565918707e+00 -3.411918626e+00 -3.622888836e+00 2.86 -2.507868486e+00 -3.353756505e+00 -3.572077988e+00 2.88 -2.450247794e+00 -3.294893619e+00 -3.519756525e+00 2.90 -2.393131523e+00 -3.235492720e+00 -3.466138387e+00 2.92 -2.336586524e+00 -3.175703197e+00 -3.411421340e+00 2.94 -2.280672233e+00 -3.115662003e+00 -3.355788050e+00 2.96 -2.225441250e+00 -3.055494517e+00 -3.299407080e+00 2.98 -2.170939874e+00 -2.995315346e+00 -3.242433829e+00 3.00 -2.117208607e+00 -2.935229081e+00 -3.185011410e+00 3.02 -2.064282616e+00 -2.875330994e+00 -3.127271471e+00 3.04 -2.012192164e+00 -2.815707701e+00 -3.069334961e+00 3.06 -1.960963011e+00 -2.756437766e+00 -3.011312855e+00 3.08 -1.910616785e+00 -2.697592281e+00 -2.953306822e+00 3.10 -1.861171327e+00 -2.639235397e+00 -2.895409858e+00 3.12 -1.812641011e+00 -2.581424819e+00 -2.837706876e+00 3.14 -1.765037039e+00 -2.524212279e+00 -2.780275259e+00 3.16 -1.699177764e+00 -2.442094593e+00 -2.684805469e+00 3.18 -1.654487082e+00 -2.387594790e+00 -2.630197807e+00 3.20 -1.610683972e+00 -2.333741929e+00 -2.575941476e+00 3.22 -1.567772510e+00 -2.280571906e+00 -2.522094587e+00 3.24 -1.525754627e+00 -2.228116332e+00 -2.468709679e+00 3.26 -1.484630309e+00 -2.176402855e+00 -2.415834103e+00 3.28 -1.444397776e+00 -2.125455455e+00 -2.363510392e+00 3.30 -1.405053651e+00 -1.998541902e+00 -2.311776591e+00 3.32 -1.366593112e+00 -1.953168390e+00 -2.260666582e+00 3.34 -1.329010042e+00 -1.908407576e+00 -2.210210381e+00 3.36 -1.292297156e+00 -1.864281959e+00 -2.160434415e+00 3.38 -1.219525346e+00 -1.820811053e+00 -2.111361782e+00 3.40 -1.186416434e+00 -1.778011605e+00 -2.063012497e+00 3.42 -1.154053657e+00 -1.735897811e+00 -2.015403719e+00 3.44 -1.122431091e+00 -1.694481503e+00 -1.968549968e+00 3.46 -1.091541927e+00 -1.653772338e+00 -1.922463317e+00 3.48 -1.061378564e+00 -1.613777966e+00 -1.877153588e+00 3.50 -1.011874780e+00 -1.574504185e+00 -1.832628518e+00 3.52 -9.841108733e-01 -1.535955095e+00 -1.788893928e+00 3.54 -9.569990044e-01 -1.498133234e+00 -1.745953874e+00 3.56 -9.305314797e-01 -1.461039708e+00 -1.703810787e+00 3.58 -9.047000820e-01 -1.424674309e+00 -1.662465608e+00 3.60 -8.794961333e-01 -1.389035631e+00 -1.621917912e+00 3.62 -8.549105526e-01 -1.354121173e+00 -1.582166023e+00 3.64 -8.237482404e-01 -1.319927439e+00 -1.464906085e+00 3.66 -8.007003927e-01 -1.286450023e+00 -1.430420810e+00 3.68 -7.782267103e-01 -1.253683702e+00 -1.396547079e+00 3.70 -7.563176798e-01 -1.221622508e+00 -1.363287271e+00 3.72 -7.349635834e-01 -1.190259805e+00 -1.330642615e+00 3.74 -7.141545356e-01 -1.159588357e+00 -1.298613284e+00 3.76 -6.938805173e-01 -1.129600390e+00 -1.267198483e+00 3.78 -6.741314062e-01 -1.100287650e+00 -1.236396526e+00 3.80 -6.548970055e-01 -1.071641462e+00 -1.206204917e+00 3.82 -6.361670695e-01 -1.043652775e+00 -1.176620416e+00 3.84 -6.179313275e-01 -1.016312214e+00 -1.147639106e+00 3.86 -6.001795051e-01 -9.503314990e-01 -1.119256455e+00 3.88 -5.829013441e-01 -9.260018881e-01 -1.091467376e+00 3.90 -5.660866202e-01 -9.022135677e-01 -1.064266276e+00 3.92 -5.497251593e-01 -8.789596521e-01 -1.037647109e+00 3.94 -5.338068518e-01 -8.562329696e-01 -1.011603423e+00 3.96 -5.183216661e-01 -8.340260977e-01 -9.861283997e-01 3.98 -5.032596602e-01 -8.123313964e-01 -9.612149002e-01 4.00 -4.886109925e-01 -7.911410382e-01 -9.368554990e-01 4.02 -4.743659313e-01 -7.704470367e-01 -9.130425199e-01 4.04 -4.605148629e-01 -7.502412728e-01 -8.897680686e-01 4.06 -4.470482992e-01 -7.305155184e-01 -8.670240627e-01 4.08 -4.339568844e-01 -7.112614594e-01 -8.448022601e-01 4.10 -4.212314004e-01 -6.924707157e-01 -8.230942840e-01 4.12 -4.088627719e-01 -6.741348606e-01 -8.018916480e-01 4.14 -3.968420703e-01 -6.562454380e-01 -7.811857773e-01 4.16 -3.851605179e-01 -6.387939788e-01 -7.609680302e-01 4.18 -3.738094900e-01 -6.217720151e-01 -7.412297161e-01 4.20 -3.627805180e-01 -6.051710945e-01 -7.219621136e-01 4.22 -3.520652910e-01 -5.889827917e-01 -7.031564864e-01 4.24 -3.416556569e-01 -5.731987201e-01 -6.848040980e-01 4.26 -3.315436241e-01 -5.578105423e-01 -6.668962253e-01 4.28 -3.217213614e-01 -5.428099791e-01 -6.494241711e-01 4.30 -3.121811989e-01 -5.281888181e-01 -6.323792754e-01 4.32 -3.029156273e-01 -5.139389213e-01 -6.157529260e-01 4.34 -2.939172979e-01 -5.000522321e-01 -5.995365674e-01 4.36 -2.851790218e-01 -4.865207815e-01 -5.837217102e-01 4.38 -2.766937691e-01 -4.733366935e-01 -5.682999382e-01 4.40 -2.684546679e-01 -4.604921901e-01 -5.532629158e-01 4.42 -2.604550028e-01 -4.479795955e-01 -5.386023941e-01 4.44 -2.526882133e-01 -4.357913404e-01 -5.243102170e-01 4.46 -2.451478927e-01 -4.239199646e-01 -4.908489955e-01 4.48 -2.378277857e-01 -4.123581206e-01 -4.780226211e-01 4.50 -2.307217869e-01 -4.010985755e-01 -4.655117745e-01 4.52 -2.238239386e-01 -3.901342135e-01 -4.533098199e-01 4.54 -2.171284289e-01 -3.794580372e-01 -4.414101925e-01 4.56 -2.106295891e-01 -3.690631692e-01 -4.298064023e-01 4.58 -2.043218920e-01 -3.589428535e-01 -4.184920385e-01 4.60 -1.981999490e-01 -3.490904553e-01 -4.074607721e-01 4.62 -1.922585083e-01 -3.394994628e-01 -3.967063591e-01 4.64 -1.864924517e-01 -3.301634863e-01 -3.862226430e-01 4.66 -1.808967932e-01 -3.210762591e-01 -3.760035568e-01 4.68 -1.754666754e-01 -3.122316370e-01 -3.660431252e-01 4.70 -1.701973678e-01 -3.036235977e-01 -3.563354659e-01 4.72 -1.650842641e-01 -2.952462411e-01 -3.468747912e-01 4.74 -1.601228794e-01 -2.870937878e-01 -3.376554088e-01 4.76 -1.553088481e-01 -2.791605789e-01 -3.286717226e-01 4.78 -1.506379208e-01 -2.714410745e-01 -3.199182338e-01 4.80 -1.461059626e-01 -2.639298535e-01 -3.113895409e-01 4.82 -1.417089497e-01 -2.566216115e-01 -3.030803400e-01 4.84 -1.374429678e-01 -2.495111603e-01 -2.949854250e-01 4.86 -1.333042089e-01 -2.425934262e-01 -2.870996876e-01 4.88 -1.292889693e-01 -2.358634489e-01 -2.794181170e-01 4.90 -1.253936469e-01 -2.293163796e-01 -2.719357994e-01 4.92 -1.216147391e-01 -2.229474799e-01 -2.646479180e-01 4.94 -1.179488402e-01 -2.167521201e-01 -2.575497517e-01 4.96 -1.143926391e-01 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