# 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 = CoFe2Ni # 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 2.112508094e+02 2.112508094e+02 1.10 1.946068530e+02 1.946068530e+02 1.12 1.790273607e+02 1.790273607e+02 1.14 1.646331031e+02 1.646331031e+02 1.16 1.515729788e+02 1.515729788e+02 1.18 1.394732632e+02 1.394732632e+02 1.20 1.286997922e+02 1.286997922e+02 1.22 1.184037063e+02 1.184037063e+02 1.24 1.088233848e+02 1.088233848e+02 1.26 1.001594837e+02 1.001594868e+02 1.28 9.211852709e+01 9.211852709e+01 1.30 8.470113573e+01 8.470113573e+01 1.32 7.772359717e+01 7.772359717e+01 1.34 7.153723998e+01 7.153723998e+01 1.36 6.555813921e+01 6.555813921e+01 1.38 6.005667693e+01 6.005667693e+01 1.40 5.495190449e+01 5.495190449e+01 1.42 5.023423627e+01 5.023423627e+01 1.44 4.611998133e+01 4.611998133e+01 1.46 4.224352459e+01 4.224352459e+01 1.48 3.847023372e+01 3.847023372e+01 1.50 3.498221857e+01 3.498221857e+01 1.52 3.184682938e+01 3.184682938e+01 1.54 2.902893924e+01 2.902893924e+01 1.56 2.624617313e+01 2.624617313e+01 1.58 2.370442917e+01 2.370442917e+01 1.60 2.132469325e+01 2.132469325e+01 1.62 1.912587842e+01 1.912587842e+01 1.64 1.709457241e+01 1.709457241e+01 1.66 1.530419705e+01 1.530419705e+01 1.68 1.364853276e+01 1.364853276e+01 1.70 1.203356449e+01 1.203356449e+01 1.72 1.054368970e+01 1.054368970e+01 1.74 9.256022546e+00 9.256022546e+00 1.76 7.981622877e+00 7.981622877e+00 1.78 6.807752379e+00 6.807752379e+00 1.80 5.727137182e+00 5.727137182e+00 1.82 4.848134864e+00 4.848134864e+00 1.84 3.924087154e+00 3.924087154e+00 1.86 3.247380840e+00 3.247380840e+00 1.88 2.453616061e+00 2.453616061e+00 1.90 1.726116746e+00 1.726116746e+00 1.92 1.060091885e+00 1.060091885e+00 1.94 4.952405298e-01 4.952405298e-01 1.96 -6.456295784e-02 -6.456295784e-02 1.98 -5.749790796e-01 -5.749790796e-01 2.00 -1.039589764e+00 -1.039589764e+00 2.02 -1.461722157e+00 -1.461722157e+00 2.04 -1.844467624e+00 -1.844467624e+00 2.06 -2.190699225e+00 -2.190699225e+00 2.08 -2.503087782e+00 -2.503087782e+00 2.10 -2.706756768e+00 -2.706756843e+00 2.12 -2.922538447e+00 -2.922538447e+00 2.14 -3.156433494e+00 -3.156433494e+00 2.16 -3.364743113e+00 -3.364743113e+00 2.18 -3.549379399e+00 -3.549379399e+00 2.20 -3.712121381e+00 -3.712121381e+00 2.22 -3.854624446e+00 -3.854624446e+00 2.24 -3.890101845e+00 -3.890101845e+00 2.26 -4.003114204e+00 -4.003114204e+00 2.28 -4.099723286e+00 -4.099723286e+00 2.30 -4.181205049e+00 -4.181205049e+00 2.32 -4.248746923e+00 -4.248746923e+00 2.34 -4.303453928e+00 -4.303453928e+00 2.36 -4.346354343e+00 -4.346354343e+00 2.38 -4.378404971e+00 -4.378404971e+00 2.40 -4.400496029e+00 -4.400496029e+00 2.42 -4.413455689e+00 -4.413455689e+00 2.44 -4.325409061e+00 -4.325409061e+00 2.46 -4.328580159e+00 -4.328580159e+00 2.48 -4.324357291e+00 -4.324357291e+00 2.50 -4.313387378e+00 -4.313387378e+00 2.52 -4.208997629e+00 -4.208997629e+00 2.54 -4.192016586e+00 -4.192016586e+00 2.56 -4.169594737e+00 -4.169594737e+00 2.58 -4.142238787e+00 -4.142238787e+00 2.60 -4.110419443e+00 -4.110419443e+00 2.62 -4.074573810e+00 -4.074573810e+00 2.64 -4.035107639e+00 -4.035107639e+00 2.66 -3.992397415e+00 -3.992397415e+00 2.68 -3.946792311e+00 -3.946792311e+00 2.70 -3.898616009e+00 -3.898616009e+00 2.72 -3.848168404e+00 -3.848168404e+00 2.74 -3.773408957e+00 -3.773408957e+00 2.76 -3.720575638e+00 -3.720575638e+00 2.78 -3.666162653e+00 -3.666162653e+00 2.80 -3.610394425e+00 -3.610394425e+00 2.82 -3.553478275e+00 -3.553478275e+00 2.84 -3.495605563e+00 -3.495605563e+00 2.86 -3.436952763e+00 -3.436952763e+00 2.88 -3.377682464e+00 -3.377682464e+00 2.90 -3.317944306e+00 -3.317944306e+00 2.92 -3.257875856e+00 -3.257875856e+00 2.94 -3.197603429e+00 -3.197603429e+00 2.96 -3.137242848e+00 -3.137242848e+00 2.98 -3.076900166e+00 -3.076900166e+00 3.00 -3.016672329e+00 -3.016672329e+00 3.02 -2.956647808e+00 -2.956647808e+00 3.04 -2.896907179e+00 -2.896907179e+00 3.06 -2.837523673e+00 -2.837523673e+00 3.08 -2.778563687e+00 -2.778563687e+00 3.10 -2.720087261e+00 -2.720087261e+00 3.12 -2.662148529e+00 -2.662148529e+00 3.14 -2.604796132e+00 -2.604796132e+00 3.16 -2.518009397e+00 -2.518009397e+00 3.18 -2.463530595e+00 -2.463530595e+00 3.20 -2.409672709e+00 -2.409672709e+00 3.22 -2.356470339e+00 -2.356470339e+00 3.24 -2.303954094e+00 -2.303954094e+00 3.26 -2.252150883e+00 -2.252150883e+00 3.28 -2.201084187e+00 -2.201084187e+00 3.30 -2.060773541e+00 -2.060773541e+00 3.32 -2.015762372e+00 -2.015762372e+00 3.34 -1.971313484e+00 -1.971313484e+00 3.36 -1.927450262e+00 -1.927450262e+00 3.38 -1.884193219e+00 -1.884193219e+00 3.40 -1.841560207e+00 -1.841560207e+00 3.42 -1.799566611e+00 -1.799566611e+00 3.44 -1.758225528e+00 -1.758225528e+00 3.46 -1.717547936e+00 -1.717547936e+00 3.48 -1.677542858e+00 -1.677542858e+00 3.50 -1.638217503e+00 -1.638217503e+00 3.52 -1.599577412e+00 -1.599577412e+00 3.54 -1.561626584e+00 -1.561626584e+00 3.56 -1.524367601e+00 -1.524367601e+00 3.58 -1.487801738e+00 -1.487801738e+00 3.60 -1.451929073e+00 -1.451929073e+00 3.62 -1.416748583e+00 -1.416748583e+00 3.64 -1.382258243e+00 -1.382258243e+00 3.66 -1.348455105e+00 -1.348455105e+00 3.68 -1.315335383e+00 -1.315335383e+00 3.70 -1.282894530e+00 -1.282894530e+00 3.72 -1.251127307e+00 -1.251127307e+00 3.74 -1.220027846e+00 -1.220027846e+00 3.76 -1.189589716e+00 -1.189589716e+00 3.78 -1.159805977e+00 -1.159805977e+00 3.80 -1.130669234e+00 -1.130669234e+00 3.82 -1.102171686e+00 -1.102171686e+00 3.84 -1.074305173e+00 -1.074305173e+00 3.86 -1.000935269e+00 -1.000935269e+00 3.88 -9.762874608e-01 -9.762874608e-01 3.90 -9.521596118e-01 -9.521596118e-01 3.92 -9.285461216e-01 -9.285461216e-01 3.94 -9.054410652e-01 -9.054410652e-01 3.96 -8.828382273e-01 -8.828382273e-01 3.98 -8.607311360e-01 -8.607311360e-01 4.00 -8.391130930e-01 -8.391130930e-01 4.02 -8.179772021e-01 -8.179772021e-01 4.04 -7.973163956e-01 -7.973163956e-01 4.06 -7.771234592e-01 -7.771234592e-01 4.08 -7.573910545e-01 -7.573910545e-01 4.10 -7.381117404e-01 -7.381117404e-01 4.12 -7.192779923e-01 -7.192779923e-01 4.14 -7.008822207e-01 -7.008822207e-01 4.16 -6.829167877e-01 -6.829167877e-01 4.18 -6.653740225e-01 -6.653740225e-01 4.20 -6.482462359e-01 -6.482462359e-01 4.22 -6.315257329e-01 -6.315257329e-01 4.24 -6.152048254e-01 -6.152048254e-01 4.26 -5.992758431e-01 -5.992758431e-01 4.28 -5.837311435e-01 -5.837311435e-01 4.30 -5.685631212e-01 -5.685631212e-01 4.32 -5.537642168e-01 -5.537642168e-01 4.34 -5.393269243e-01 -5.393269243e-01 4.36 -5.252437980e-01 -5.252437980e-01 4.38 -5.115074593e-01 -5.115074593e-01 4.40 -4.981106022e-01 -4.981106022e-01 4.42 -4.850459985e-01 -4.850459985e-01 4.44 -4.723065023e-01 -4.723065023e-01 4.46 -4.598850544e-01 -4.598850544e-01 4.48 -4.477746859e-01 -4.477746859e-01 4.50 -4.359685215e-01 -4.359685215e-01 4.52 -4.244597820e-01 -4.244597820e-01 4.54 -4.132417872e-01 -4.132417872e-01 4.56 -4.023079577e-01 -4.023079577e-01 4.58 -3.916518169e-01 -3.916518169e-01 4.60 -3.812669923e-01 -3.812669923e-01 4.62 -3.711472169e-01 -3.711472169e-01 4.64 -3.612863301e-01 -3.612863301e-01 4.66 -3.516782781e-01 -3.516782781e-01 4.68 -3.423171150e-01 -3.423171150e-01 4.70 -3.331970026e-01 -3.331970026e-01 4.72 -3.243122107e-01 -3.243122107e-01 4.74 -3.156571169e-01 -3.156571169e-01 4.76 -3.072262066e-01 -3.072262066e-01 4.78 -2.990140724e-01 -2.990140724e-01 4.80 -2.910154139e-01 -2.910154139e-01 4.82 -2.832250367e-01 -2.832250367e-01 4.84 -2.756378518e-01 -2.756378518e-01 4.86 -2.682488750e-01 -2.682488750e-01 4.88 -2.610532256e-01 -2.610532256e-01 4.90 -2.540461257e-01 -2.540461257e-01 4.92 -2.472228990e-01 -2.472228990e-01 4.94 -2.405789696e-01 -2.405789696e-01 4.96 -2.341098608e-01 -2.341098608e-01 4.98 -2.278111941e-01 -2.278111941e-01 5.00 -2.216786874e-01 -2.216786874e-01 5.02 -2.157081542e-01 -2.157081542e-01 5.04 -2.098955017e-01 -2.098955017e-01 5.06 -2.042367299e-01 -2.042367299e-01 5.08 -1.987279298e-01 -1.987279298e-01 5.10 -1.933652819e-01 -1.933652819e-01 5.12 -1.881450552e-01 -1.881450552e-01 5.14 -1.830636050e-01 -1.830636050e-01 5.16 -1.781173721e-01 -1.781173721e-01 5.18 -1.733028807e-01 -1.733028807e-01 5.20 -1.686167375e-01 -1.686167375e-01 5.22 -1.640556296e-01 -1.640556296e-01 5.24 -1.596163232e-01 -1.596163232e-01 5.26 -1.552956622e-01 -1.552956622e-01 5.28 -1.510905666e-01 -1.510905666e-01 5.30 -1.469980311e-01 -1.469980311e-01 5.32 -1.430151233e-01 -1.430151233e-01 5.34 -1.391389827e-01 -1.391389827e-01 5.36 -1.353668187e-01 -1.353668187e-01 5.38 -1.316959096e-01 -1.316959096e-01 5.40 -1.281236010e-01 -1.281236010e-01 5.42 -1.246473042e-01 -1.246473042e-01 5.44 -1.212644949e-01 -1.212644949e-01 5.46 -9.495462807e-02 -9.495462807e-02 5.48 -9.245550271e-02 -9.245550271e-02 5.50 -9.002122151e-02 -9.002122151e-02 5.52 -8.765015171e-02 -8.765015171e-02 5.54 -8.534069896e-02 -8.534069896e-02 5.56 -8.309130658e-02 -8.309130658e-02 5.58 -8.090045482e-02 -8.090045482e-02 5.60 -7.876666009e-02 -7.876666009e-02 5.62 -7.668847423e-02 -7.668847423e-02 5.64 -7.466448382e-02 -7.466448382e-02 5.66 -7.269330942e-02 -7.269330942e-02 5.68 -7.077360487e-02 -7.077360487e-02 5.70 -6.890405659e-02 -6.890405659e-02 5.72 -6.708338291e-02 -6.708338291e-02 5.74 -6.531033335e-02 -6.531033335e-02 5.76 -6.358368794e-02 -6.358368794e-02 5.78 -6.190225661e-02 -6.190225661e-02 5.80 -6.026487848e-02 -6.026487848e-02 5.82 -5.867042124e-02 -5.867042124e-02 5.84 -5.711778051e-02 -5.711778051e-02 5.86 -5.560587921e-02 -5.560587921e-02 5.88 -5.413366695e-02 -5.413366695e-02 5.90 -5.270011945e-02 -5.270011945e-02 5.92 -5.130423788e-02 -5.130423788e-02 5.94 -4.994504837e-02 -4.994504837e-02 5.96 -4.862160135e-02 -4.862160135e-02 5.98 -4.733297103e-02 -4.733297103e-02 6.00 -4.607825487e-02 -4.607825487e-02