# 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 = CrFeNi2 # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 2.195415915e+02 2.195415915e+02 1.10 2.021910702e+02 2.021910702e+02 1.12 1.859817631e+02 1.859817631e+02 1.14 1.710157368e+02 1.710157368e+02 1.16 1.574228326e+02 1.574228326e+02 1.18 1.448393905e+02 1.448393905e+02 1.20 1.336021354e+02 1.336021354e+02 1.22 1.229010155e+02 1.229010155e+02 1.24 1.129540168e+02 1.129540168e+02 1.26 1.039440952e+02 1.039441111e+02 1.28 9.558824613e+01 9.558824613e+01 1.30 8.788129368e+01 8.788129368e+01 1.32 8.064475006e+01 8.064475006e+01 1.34 7.420562742e+01 7.420562742e+01 1.36 6.800909060e+01 6.800909060e+01 1.38 6.230652653e+01 6.230652653e+01 1.40 5.701798802e+01 5.701798802e+01 1.42 5.213131493e+01 5.213131493e+01 1.44 4.784824746e+01 4.784824746e+01 1.46 4.382019260e+01 4.382019260e+01 1.48 3.991752834e+01 3.991752834e+01 1.50 3.631053429e+01 3.631053429e+01 1.52 3.306048340e+01 3.306048340e+01 1.54 3.013316608e+01 3.013316608e+01 1.56 2.725917489e+01 2.725917489e+01 1.58 2.463195112e+01 2.463195112e+01 1.60 2.217530756e+01 2.217530756e+01 1.62 1.990583978e+01 1.990583978e+01 1.64 1.780964549e+01 1.780964549e+01 1.66 1.595460543e+01 1.595460543e+01 1.68 1.424008337e+01 1.424008337e+01 1.70 1.257570651e+01 1.257570651e+01 1.72 1.104052510e+01 1.104052510e+01 1.74 9.706611973e+00 9.706611973e+00 1.76 8.394539309e+00 8.394539309e+00 1.78 7.186176789e+00 7.186176789e+00 1.80 6.073999361e+00 6.073999361e+00 1.82 5.159393111e+00 5.159393111e+00 1.84 4.209457507e+00 4.209457507e+00 1.86 3.499857755e+00 3.499857755e+00 1.88 2.685214388e+00 2.685214388e+00 1.90 1.938693678e+00 1.938693678e+00 1.92 1.255353927e+00 1.255353927e+00 1.94 6.723487058e-01 6.723487058e-01 1.96 9.840655416e-02 9.840655416e-02 1.98 -4.248388734e-01 -4.248388734e-01 2.00 -9.010781120e-01 -9.010781120e-01 2.02 -1.333738509e+00 -1.333738509e+00 2.04 -1.726003870e+00 -1.726003870e+00 2.06 -2.080832526e+00 -2.080832526e+00 2.08 -2.400973945e+00 -2.400973945e+00 2.10 -2.615740069e+00 -2.615740450e+00 2.12 -2.839806523e+00 -2.839806523e+00 2.14 -3.078934842e+00 -3.078934842e+00 2.16 -3.291916162e+00 -3.291916162e+00 2.18 -3.480713497e+00 -3.480713497e+00 2.20 -3.647152724e+00 -3.647152724e+00 2.22 -3.792932310e+00 -3.792932310e+00 2.24 -3.836119767e+00 -3.836119767e+00 2.26 -3.951387485e+00 -3.951387485e+00 2.28 -4.049957757e+00 -4.049957757e+00 2.30 -4.133136315e+00 -4.133136315e+00 2.32 -4.202137866e+00 -4.202137866e+00 2.34 -4.258092399e+00 -4.258092399e+00 2.36 -4.302051035e+00 -4.302051035e+00 2.38 -4.334991457e+00 -4.334991457e+00 2.40 -4.357822949e+00 -4.357822949e+00 2.42 -4.371391082e+00 -4.371391082e+00 2.44 -4.289255772e+00 -4.289255772e+00 2.46 -4.292519862e+00 -4.292519862e+00 2.48 -4.288316845e+00 -4.288316845e+00 2.50 -4.277304860e+00 -4.277304860e+00 2.52 -4.177509009e+00 -4.177509009e+00 2.54 -4.160133619e+00 -4.160133619e+00 2.56 -4.137296435e+00 -4.137296435e+00 2.58 -4.109510910e+00 -4.109510910e+00 2.60 -4.077253748e+00 -4.077253748e+00 2.62 -4.040967373e+00 -4.040967373e+00 2.64 -4.001062230e+00 -4.001062230e+00 2.66 -3.957918930e+00 -3.957918930e+00 2.68 -3.911890250e+00 -3.911890250e+00 2.70 -3.863303011e+00 -3.863303011e+00 2.72 -3.812459811e+00 -3.812459811e+00 2.74 -3.738536781e+00 -3.738536781e+00 2.76 -3.685284029e+00 -3.685284029e+00 2.78 -3.630475777e+00 -3.630475777e+00 2.80 -3.574337674e+00 -3.574337674e+00 2.82 -3.517078007e+00 -3.517078007e+00 2.84 -3.458888871e+00 -3.458888871e+00 2.86 -3.399947265e+00 -3.399947265e+00 2.88 -3.340416119e+00 -3.340416119e+00 2.90 -3.280445243e+00 -3.280445243e+00 2.92 -3.220172228e+00 -3.220172228e+00 2.94 -3.159723280e+00 -3.159723280e+00 2.96 -3.099213996e+00 -3.099213996e+00 2.98 -3.038750100e+00 -3.038750100e+00 3.00 -2.978428121e+00 -2.978428121e+00 3.02 -2.918336032e+00 -2.918336032e+00 3.04 -2.858553844e+00 -2.858553844e+00 3.06 -2.799154166e+00 -2.799154166e+00 3.08 -2.740202723e+00 -2.740202723e+00 3.10 -2.681758841e+00 -2.681758841e+00 3.12 -2.623875907e+00 -2.623875907e+00 3.14 -2.566601788e+00 -2.566601788e+00 3.16 -2.481682372e+00 -2.481682372e+00 3.18 -2.427248641e+00 -2.427248641e+00 3.20 -2.373458925e+00 -2.373458925e+00 3.22 -2.320346885e+00 -2.320346885e+00 3.24 -2.267942190e+00 -2.267942190e+00 3.26 -2.216270811e+00 -2.216270811e+00 3.28 -2.165355294e+00 -2.165355294e+00 3.30 -2.030023637e+00 -2.030023637e+00 3.32 -1.984997325e+00 -1.984997325e+00 3.34 -1.940557957e+00 -1.940557957e+00 3.36 -1.896727745e+00 -1.896727745e+00 3.38 -1.853526056e+00 -1.853526056e+00 3.40 -1.810969622e+00 -1.810969622e+00 3.42 -1.769072735e+00 -1.769072735e+00 3.44 -1.727847425e+00 -1.727847425e+00 3.46 -1.687303635e+00 -1.687303635e+00 3.48 -1.647449380e+00 -1.647449380e+00 3.50 -1.608290892e+00 -1.608290892e+00 3.52 -1.569832765e+00 -1.569832765e+00 3.54 -1.532078080e+00 -1.532078080e+00 3.56 -1.495028531e+00 -1.495028531e+00 3.58 -1.458684537e+00 -1.458684537e+00 3.60 -1.423045347e+00 -1.423045347e+00 3.62 -1.388109143e+00 -1.388109143e+00 3.64 -1.353873128e+00 -1.353873128e+00 3.66 -1.320333615e+00 -1.320333615e+00 3.68 -1.287486109e+00 -1.287486109e+00 3.70 -1.255325377e+00 -1.255325377e+00 3.72 -1.223845525e+00 -1.223845525e+00 3.74 -1.193040055e+00 -1.193040055e+00 3.76 -1.162901935e+00 -1.162901935e+00 3.78 -1.133423647e+00 -1.133423647e+00 3.80 -1.104597243e+00 -1.104597243e+00 3.82 -1.076414396e+00 -1.076414396e+00 3.84 -1.048866442e+00 -1.048866442e+00 3.86 -9.783141985e-01 -9.783141985e-01 3.88 -9.539019426e-01 -9.539019426e-01 3.90 -9.300151401e-01 -9.300151401e-01 3.92 -9.066476849e-01 -9.066476849e-01 3.94 -8.837931684e-01 -8.837931684e-01 3.96 -8.614449140e-01 -8.614449140e-01 3.98 -8.395960094e-01 -8.395960094e-01 4.00 -8.182393365e-01 -8.182393365e-01 4.02 -7.973675991e-01 -7.973675991e-01 4.04 -7.769733490e-01 -7.769733490e-01 4.06 -7.570490099e-01 -7.570490099e-01 4.08 -7.375868994e-01 -7.375868994e-01 4.10 -7.185792498e-01 -7.185792498e-01 4.12 -7.000182266e-01 -7.000182266e-01 4.14 -6.818959468e-01 -6.818959468e-01 4.16 -6.642044943e-01 -6.642044943e-01 4.18 -6.469359353e-01 -6.469359353e-01 4.20 -6.300823319e-01 -6.300823319e-01 4.22 -6.136357547e-01 -6.136357547e-01 4.24 -5.975882941e-01 -5.975882941e-01 4.26 -5.819320714e-01 -5.819320714e-01 4.28 -5.666592478e-01 -5.666592478e-01 4.30 -5.517620339e-01 -5.517620339e-01 4.32 -5.372326973e-01 -5.372326973e-01 4.34 -5.230635698e-01 -5.230635698e-01 4.36 -5.092470543e-01 -5.092470543e-01 4.38 -4.957756307e-01 -4.957756307e-01 4.40 -4.826418607e-01 -4.826418607e-01 4.42 -4.698383934e-01 -4.698383934e-01 4.44 -4.573579688e-01 -4.573579688e-01 4.46 -4.451934220e-01 -4.451934220e-01 4.48 -4.333376864e-01 -4.333376864e-01 4.50 -4.217837963e-01 -4.217837963e-01 4.52 -4.105248900e-01 -4.105248900e-01 4.54 -3.995542112e-01 -3.995542112e-01 4.56 -3.888651112e-01 -3.888651112e-01 4.58 -3.784510506e-01 -3.784510506e-01 4.60 -3.683055997e-01 -3.683055997e-01 4.62 -3.584224404e-01 -3.584224404e-01 4.64 -3.487953661e-01 -3.487953661e-01 4.66 -3.394182824e-01 -3.394182824e-01 4.68 -3.302852076e-01 -3.302852076e-01 4.70 -3.213902722e-01 -3.213902722e-01 4.72 -3.127277194e-01 -3.127277194e-01 4.74 -3.042919041e-01 -3.042919041e-01 4.76 -2.960772932e-01 -2.960772932e-01 4.78 -2.880784645e-01 -2.880784645e-01 4.80 -2.802901059e-01 -2.802901059e-01 4.82 -2.727070151e-01 -2.727070151e-01 4.84 -2.653240984e-01 -2.653240984e-01 4.86 -2.581363696e-01 -2.581363696e-01 4.88 -2.511389489e-01 -2.511389489e-01 4.90 -2.443270619e-01 -2.443270619e-01 4.92 -2.376960384e-01 -2.376960384e-01 4.94 -2.312413108e-01 -2.312413108e-01 4.96 -2.249584129e-01 -2.249584129e-01 4.98 -2.188429788e-01 -2.188429788e-01 5.00 -2.128907409e-01 -2.128907409e-01 5.02 -2.070975290e-01 -2.070975290e-01 5.04 -2.014592681e-01 -2.014592681e-01 5.06 -1.959719778e-01 -1.959719778e-01 5.08 -1.906317699e-01 -1.906317699e-01 5.10 -1.854348473e-01 -1.854348473e-01 5.12 -1.803775024e-01 -1.803775024e-01 5.14 -1.754561153e-01 -1.754561153e-01 5.16 -1.706671523e-01 -1.706671523e-01 5.18 -1.660071645e-01 -1.660071645e-01 5.20 -1.614727859e-01 -1.614727859e-01 5.22 -1.570607320e-01 -1.570607320e-01 5.24 -1.527677982e-01 -1.527677982e-01 5.26 -1.485908581e-01 -1.485908581e-01 5.28 -1.445268621e-01 -1.445268621e-01 5.30 -1.405728356e-01 -1.405728356e-01 5.32 -1.367258779e-01 -1.367258779e-01 5.34 -1.329831600e-01 -1.329831600e-01 5.36 -1.293419236e-01 -1.293419236e-01 5.38 -1.257994794e-01 -1.257994794e-01 5.40 -1.223532056e-01 -1.223532056e-01 5.42 -1.190005466e-01 -1.190005466e-01 5.44 -1.157390112e-01 -1.157390112e-01 5.46 -9.089601629e-02 -9.089601629e-02 5.48 -8.847992325e-02 -8.847992325e-02 5.50 -8.612719678e-02 -8.612719678e-02 5.52 -8.383622134e-02 -8.383622134e-02 5.54 -8.160542005e-02 -8.160542005e-02 5.56 -7.943325390e-02 -7.943325390e-02 5.58 -7.731822094e-02 -7.731822094e-02 5.60 -7.525885558e-02 -7.525885558e-02 5.62 -7.325372777e-02 -7.325372777e-02 5.64 -7.130144231e-02 -7.130144231e-02 5.66 -6.940063804e-02 -6.940063804e-02 5.68 -6.754998717e-02 -6.754998717e-02 5.70 -6.574819453e-02 -6.574819453e-02 5.72 -6.399399685e-02 -6.399399685e-02 5.74 -6.228616209e-02 -6.228616209e-02 5.76 -6.062348872e-02 -6.062348872e-02 5.78 -5.900480505e-02 -5.900480505e-02 5.80 -5.742896858e-02 -5.742896858e-02 5.82 -5.589486530e-02 -5.589486530e-02 5.84 -5.440140908e-02 -5.440140908e-02 5.86 -5.294754101e-02 -5.294754101e-02 5.88 -5.153222879e-02 -5.153222879e-02 5.90 -5.015446612e-02 -5.015446612e-02 5.92 -4.881327206e-02 -4.881327206e-02 5.94 -4.750769050e-02 -4.750769050e-02 5.96 -4.623678951e-02 -4.623678951e-02 5.98 -4.499966083e-02 -4.499966083e-02 6.00 -4.379541926e-02 -4.379541926e-02