# 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 = Cr2MnNi # 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 2.332206218e+02 2.332206218e+02 1.10 2.148352573e+02 2.148352573e+02 1.12 1.977139569e+02 1.977139569e+02 1.14 1.819203506e+02 1.819203506e+02 1.16 1.675440981e+02 1.675440981e+02 1.18 1.542503353e+02 1.542503353e+02 1.20 1.423120259e+02 1.423120259e+02 1.22 1.310116882e+02 1.310116882e+02 1.24 1.205234100e+02 1.205234100e+02 1.26 1.109921431e+02 1.109921283e+02 1.28 1.021604737e+02 1.021604737e+02 1.30 9.401320546e+01 9.401320546e+01 1.32 8.638583411e+01 8.638583411e+01 1.34 7.955190657e+01 7.955190657e+01 1.36 7.302335934e+01 7.302335934e+01 1.38 6.701012838e+01 6.701012838e+01 1.40 6.143608073e+01 6.143608073e+01 1.42 5.628434833e+01 5.628434833e+01 1.44 5.172331643e+01 5.172331643e+01 1.46 4.744648353e+01 4.744648353e+01 1.48 4.333647261e+01 4.333647261e+01 1.50 3.953652423e+01 3.953652423e+01 1.52 3.609544149e+01 3.609544149e+01 1.54 3.297977570e+01 3.297977570e+01 1.56 2.995302786e+01 2.995302786e+01 1.58 2.717950434e+01 2.717950434e+01 1.60 2.459028141e+01 2.459028141e+01 1.62 2.219704667e+01 2.219704667e+01 1.64 1.998525983e+01 1.998525983e+01 1.66 1.801121097e+01 1.801121097e+01 1.68 1.618577201e+01 1.618577201e+01 1.70 1.442882138e+01 1.442882138e+01 1.72 1.280696806e+01 1.280696806e+01 1.74 1.138083151e+01 1.138083151e+01 1.76 9.993595678e+00 9.993595678e+00 1.78 8.714726254e+00 8.714726254e+00 1.80 7.536370531e+00 7.536370531e+00 1.82 6.544944153e+00 6.544944153e+00 1.84 5.537791838e+00 5.537791838e+00 1.86 4.752300656e+00 4.752300656e+00 1.88 3.888740718e+00 3.888740718e+00 1.90 3.096098869e+00 3.096098869e+00 1.92 2.369241671e+00 2.369241671e+00 1.94 1.739509494e+00 1.739509494e+00 1.96 1.127163991e+00 1.127163991e+00 1.98 5.675906527e-01 5.675906527e-01 2.00 5.695887958e-02 5.695887958e-02 2.02 -4.082887187e-01 -4.082887187e-01 2.04 -8.314567026e-01 -8.314567026e-01 2.06 -1.215615539e+00 -1.215615539e+00 2.08 -1.563618842e+00 -1.563618842e+00 2.10 -1.814734118e+00 -1.814733764e+00 2.12 -2.068735039e+00 -2.068735039e+00 2.14 -2.330845490e+00 -2.330845490e+00 2.16 -2.565759405e+00 -2.565759405e+00 2.18 -2.775507038e+00 -2.775507038e+00 2.20 -2.961976702e+00 -2.961976702e+00 2.22 -3.126924850e+00 -3.126924850e+00 2.24 -3.199747938e+00 -3.199747938e+00 2.26 -3.331873177e+00 -3.331873177e+00 2.28 -3.446637639e+00 -3.446637639e+00 2.30 -3.545387207e+00 -3.545387207e+00 2.32 -3.629373857e+00 -3.629373857e+00 2.34 -3.699762174e+00 -3.699762174e+00 2.36 -3.757635405e+00 -3.757635405e+00 2.38 -3.804001059e+00 -3.804001059e+00 2.40 -3.839796129e+00 -3.839796129e+00 2.42 -3.865891920e+00 -3.865891920e+00 2.44 -3.807672014e+00 -3.807672014e+00 2.46 -3.821938767e+00 -3.821938767e+00 2.48 -3.828412699e+00 -3.828412699e+00 2.50 -3.827768629e+00 -3.827768629e+00 2.52 -3.749229881e+00 -3.749229881e+00 2.54 -3.740984802e+00 -3.740984802e+00 2.56 -3.727050864e+00 -3.727050864e+00 2.58 -3.707951705e+00 -3.707951705e+00 2.60 -3.684173461e+00 -3.684173461e+00 2.62 -3.656167288e+00 -3.656167288e+00 2.64 -3.624351725e+00 -3.624351725e+00 2.66 -3.589114893e+00 -3.589114893e+00 2.68 -3.550816541e+00 -3.550816541e+00 2.70 -3.509789962e+00 -3.509789962e+00 2.72 -3.466343779e+00 -3.466343779e+00 2.74 -3.402505578e+00 -3.402505578e+00 2.76 -3.356184557e+00 -3.356184557e+00 2.78 -3.308168302e+00 -3.308168302e+00 2.80 -3.258686598e+00 -3.258686598e+00 2.82 -3.207951591e+00 -3.207951591e+00 2.84 -3.156158989e+00 -3.156158989e+00 2.86 -3.103489176e+00 -3.103489176e+00 2.88 -3.050108255e+00 -3.050108255e+00 2.90 -2.996169025e+00 -2.996169025e+00 2.92 -2.941811891e+00 -2.941811891e+00 2.94 -2.887165713e+00 -2.887165713e+00 2.96 -2.832348603e+00 -2.832348603e+00 2.98 -2.777468667e+00 -2.777468667e+00 3.00 -2.722624697e+00 -2.722624697e+00 3.02 -2.667906821e+00 -2.667906821e+00 3.04 -2.613397107e+00 -2.613397107e+00 3.06 -2.559170130e+00 -2.559170130e+00 3.08 -2.505293499e+00 -2.505293499e+00 3.10 -2.451828353e+00 -2.451828353e+00 3.12 -2.398829820e+00 -2.398829820e+00 3.14 -2.346347447e+00 -2.346347447e+00 3.16 -2.269967113e+00 -2.269967113e+00 3.18 -2.219961060e+00 -2.219961060e+00 3.20 -2.170519694e+00 -2.170519694e+00 3.22 -2.121677769e+00 -2.121677769e+00 3.24 -2.073466025e+00 -2.073466025e+00 3.26 -2.025911486e+00 -2.025911486e+00 3.28 -1.979037733e+00 -1.979037733e+00 3.30 -1.859171676e+00 -1.859171676e+00 3.32 -1.817516460e+00 -1.817516460e+00 3.34 -1.776399514e+00 -1.776399514e+00 3.36 -1.735843020e+00 -1.735843020e+00 3.38 -1.695866348e+00 -1.695866348e+00 3.40 -1.656486264e+00 -1.656486264e+00 3.42 -1.617717123e+00 -1.617717123e+00 3.44 -1.579571052e+00 -1.579571052e+00 3.46 -1.542058119e+00 -1.542058119e+00 3.48 -1.505186492e+00 -1.505186492e+00 3.50 -1.468962584e+00 -1.468962584e+00 3.52 -1.433391195e+00 -1.433391195e+00 3.54 -1.398475641e+00 -1.398475641e+00 3.56 -1.364217873e+00 -1.364217873e+00 3.58 -1.330618591e+00 -1.330618591e+00 3.60 -1.297677347e+00 -1.297677347e+00 3.62 -1.265392647e+00 -1.265392647e+00 3.64 -1.233762039e+00 -1.233762039e+00 3.66 -1.202782201e+00 -1.202782201e+00 3.68 -1.172449016e+00 -1.172449016e+00 3.70 -1.142757653e+00 -1.142757653e+00 3.72 -1.113702629e+00 -1.113702629e+00 3.74 -1.085277878e+00 -1.085277878e+00 3.76 -1.057476808e+00 -1.057476808e+00 3.78 -1.030292357e+00 -1.030292357e+00 3.80 -1.003717045e+00 -1.003717045e+00 3.82 -9.777430212e-01 -9.777430212e-01 3.84 -9.523621099e-01 -9.523621099e-01 3.86 -8.897974555e-01 -8.897974555e-01 3.88 -8.672436034e-01 -8.672436034e-01 3.90 -8.451835004e-01 -8.451835004e-01 3.92 -8.236112466e-01 -8.236112466e-01 3.94 -8.025206560e-01 -8.025206560e-01 3.96 -7.819052899e-01 -7.819052899e-01 3.98 -7.617584881e-01 -7.617584881e-01 4.00 -7.420733978e-01 -7.420733978e-01 4.02 -7.228430006e-01 -7.228430006e-01 4.04 -7.040601375e-01 -7.040601375e-01 4.06 -6.857175316e-01 -6.857175316e-01 4.08 -6.678078099e-01 -6.678078099e-01 4.10 -6.503235226e-01 -6.503235226e-01 4.12 -6.332571616e-01 -6.332571616e-01 4.14 -6.166011771e-01 -6.166011771e-01 4.16 -6.003479932e-01 -6.003479932e-01 4.18 -5.844900218e-01 -5.844900218e-01 4.20 -5.690196764e-01 -5.690196764e-01 4.22 -5.539293830e-01 -5.539293830e-01 4.24 -5.392115921e-01 -5.392115921e-01 4.26 -5.248587879e-01 -5.248587879e-01 4.28 -5.108634981e-01 -5.108634981e-01 4.30 -4.972183015e-01 -4.972183015e-01 4.32 -4.839158363e-01 -4.839158363e-01 4.34 -4.709488062e-01 -4.709488062e-01 4.36 -4.583099870e-01 -4.583099870e-01 4.38 -4.459922319e-01 -4.459922319e-01 4.40 -4.339884766e-01 -4.339884766e-01 4.42 -4.222917436e-01 -4.222917436e-01 4.44 -4.108951460e-01 -4.108951460e-01 4.46 -3.997918912e-01 -3.997918912e-01 4.48 -3.889752835e-01 -3.889752835e-01 4.50 -3.784387271e-01 -3.784387271e-01 4.52 -3.681757280e-01 -3.681757280e-01 4.54 -3.581798962e-01 -3.581798962e-01 4.56 -3.484449468e-01 -3.484449468e-01 4.58 -3.389647018e-01 -3.389647018e-01 4.60 -3.297330904e-01 -3.297330904e-01 4.62 -3.207441506e-01 -3.207441506e-01 4.64 -3.119920287e-01 -3.119920287e-01 4.66 -3.034709806e-01 -3.034709806e-01 4.68 -2.951753710e-01 -2.951753710e-01 4.70 -2.870996739e-01 -2.870996739e-01 4.72 -2.792384720e-01 -2.792384720e-01 4.74 -2.715864565e-01 -2.715864565e-01 4.76 -2.641384265e-01 -2.641384265e-01 4.78 -2.568892882e-01 -2.568892882e-01 4.80 -2.498340542e-01 -2.498340542e-01 4.82 -2.429678427e-01 -2.429678427e-01 4.84 -2.362858763e-01 -2.362858763e-01 4.86 -2.297834812e-01 -2.297834812e-01 4.88 -2.234560856e-01 -2.234560856e-01 4.90 -2.172992193e-01 -2.172992193e-01 4.92 -2.113085113e-01 -2.113085113e-01 4.94 -2.054796895e-01 -2.054796895e-01 4.96 -1.998085787e-01 -1.998085787e-01 4.98 -1.942910996e-01 -1.942910996e-01 5.00 -1.889232669e-01 -1.889232669e-01 5.02 -1.837011883e-01 -1.837011883e-01 5.04 -1.786210625e-01 -1.786210625e-01 5.06 -1.736791780e-01 -1.736791780e-01 5.08 -1.688719118e-01 -1.688719118e-01 5.10 -1.641957270e-01 -1.641957270e-01 5.12 -1.596471723e-01 -1.596471723e-01 5.14 -1.552228796e-01 -1.552228796e-01 5.16 -1.509195628e-01 -1.509195628e-01 5.18 -1.467340162e-01 -1.467340162e-01 5.20 -1.426631128e-01 -1.426631128e-01 5.22 -1.387038031e-01 -1.387038031e-01 5.24 -1.348531129e-01 -1.348531129e-01 5.26 -1.311081424e-01 -1.311081424e-01 5.28 -1.274660643e-01 -1.274660643e-01 5.30 -1.239241224e-01 -1.239241224e-01 5.32 -1.204796301e-01 -1.204796301e-01 5.34 -1.171299687e-01 -1.171299687e-01 5.36 -1.138725862e-01 -1.138725862e-01 5.38 -1.107049956e-01 -1.107049956e-01 5.40 -1.076247738e-01 -1.076247738e-01 5.42 -1.046295597e-01 -1.046295597e-01 5.44 -1.017170531e-01 -1.017170531e-01 5.46 -8.014819068e-02 -8.014819068e-02 5.48 -7.798306525e-02 -7.798306525e-02 5.50 -7.587567218e-02 -7.587567218e-02 5.52 -7.382451341e-02 -7.382451341e-02 5.54 -7.182812749e-02 -7.182812749e-02 5.56 -6.988508875e-02 -6.988508875e-02 5.58 -6.799400661e-02 -6.799400661e-02 5.60 -6.615352479e-02 -6.615352479e-02 5.62 -6.436232061e-02 -6.436232061e-02 5.64 -6.261910422e-02 -6.261910422e-02 5.66 -6.092261791e-02 -6.092261791e-02 5.68 -5.927163538e-02 -5.927163538e-02 5.70 -5.766496109e-02 -5.766496109e-02 5.72 -5.610142949e-02 -5.610142949e-02 5.74 -5.457990444e-02 -5.457990444e-02 5.76 -5.309927846e-02 -5.309927846e-02 5.78 -5.165847212e-02 -5.165847212e-02 5.80 -5.025643337e-02 -5.025643337e-02 5.82 -4.889213693e-02 -4.889213693e-02 5.84 -4.756458367e-02 -4.756458367e-02 5.86 -4.627279996e-02 -4.627279996e-02 5.88 -4.501583709e-02 -4.501583709e-02 5.90 -4.379277073e-02 -4.379277073e-02 5.92 -4.260270025e-02 -4.260270025e-02 5.94 -4.144474824e-02 -4.144474824e-02 5.96 -4.031805994e-02 -4.031805994e-02 5.98 -3.922180263e-02 -3.922180263e-02 6.00 -3.815516519e-02 -3.815516519e-02