# 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 = FeMnNi2 # 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 2.001949243e+02 2.001949243e+02 1.10 1.844385324e+02 1.844385324e+02 1.12 1.697014921e+02 1.697014921e+02 1.14 1.560877966e+02 1.560877966e+02 1.16 1.437292587e+02 1.437292587e+02 1.18 1.322823768e+02 1.322823768e+02 1.20 1.220749397e+02 1.220749397e+02 1.22 1.123349406e+02 1.123349406e+02 1.24 1.032745987e+02 1.032745987e+02 1.26 9.507376232e+01 9.507378702e+01 1.28 8.746464255e+01 8.746464255e+01 1.30 8.044542565e+01 8.044542565e+01 1.32 7.384634689e+01 7.384634689e+01 1.34 6.798455354e+01 6.798455354e+01 1.36 6.233003704e+01 6.233003704e+01 1.38 5.712608309e+01 5.712608309e+01 1.40 5.229764884e+01 5.229764884e+01 1.42 4.783495039e+01 4.783495039e+01 1.44 4.393377477e+01 4.393377477e+01 1.46 4.026100571e+01 4.026100571e+01 1.48 3.669204424e+01 3.669204424e+01 1.50 3.339251645e+01 3.339251645e+01 1.52 3.042224426e+01 3.042224426e+01 1.54 2.775008586e+01 2.775008586e+01 1.56 2.511762956e+01 2.511762956e+01 1.58 2.271181591e+01 2.271181591e+01 1.60 2.046000725e+01 2.046000725e+01 1.62 1.837903787e+01 1.837903787e+01 1.64 1.645625066e+01 1.645625066e+01 1.66 1.475733003e+01 1.475733003e+01 1.68 1.318669525e+01 1.318669525e+01 1.70 1.165766536e+01 1.165766536e+01 1.72 1.024673544e+01 1.024673544e+01 1.74 9.024029914e+00 9.024029914e+00 1.76 7.816774625e+00 7.816774625e+00 1.78 6.704423501e+00 6.704423501e+00 1.80 5.680114509e+00 5.680114509e+00 1.82 4.841305029e+00 4.841305029e+00 1.84 3.965216163e+00 3.965216163e+00 1.86 3.316767651e+00 3.316767651e+00 1.88 2.564128900e+00 2.564128900e+00 1.90 1.874003250e+00 1.874003250e+00 1.92 1.241875256e+00 1.241875256e+00 1.94 7.038602834e-01 7.038602834e-01 1.96 1.720611818e-01 1.720611818e-01 1.98 -3.131402897e-01 -3.131402897e-01 2.00 -7.551198381e-01 -7.551198381e-01 2.02 -1.157013128e+00 -1.157013128e+00 2.04 -1.521733680e+00 -1.521733680e+00 2.06 -1.851989321e+00 -1.851989321e+00 2.08 -2.150297325e+00 -2.150297325e+00 2.10 -2.348585087e+00 -2.348585680e+00 2.12 -2.556929895e+00 -2.556929895e+00 2.14 -2.780838872e+00 -2.780838872e+00 2.16 -2.980602717e+00 -2.980602717e+00 2.18 -3.158022397e+00 -3.158022397e+00 2.20 -3.314773579e+00 -3.314773579e+00 2.22 -3.452415496e+00 -3.452415496e+00 2.24 -3.491753717e+00 -3.491753717e+00 2.26 -3.601356583e+00 -3.601356583e+00 2.28 -3.695474301e+00 -3.695474301e+00 2.30 -3.775308093e+00 -3.775308093e+00 2.32 -3.841975857e+00 -3.841975857e+00 2.34 -3.896517927e+00 -3.896517927e+00 2.36 -3.939902410e+00 -3.939902410e+00 2.38 -3.973030138e+00 -3.973030138e+00 2.40 -3.996739278e+00 -3.996739278e+00 2.42 -4.011809600e+00 -4.011809600e+00 2.44 -3.935399975e+00 -3.935399975e+00 2.46 -3.940950060e+00 -3.940950060e+00 2.48 -3.939510570e+00 -3.939510570e+00 2.50 -3.931689933e+00 -3.931689933e+00 2.52 -3.838627671e+00 -3.838627671e+00 2.54 -3.824920662e+00 -3.824920662e+00 2.56 -3.806070870e+00 -3.806070870e+00 2.58 -3.782554338e+00 -3.782554338e+00 2.60 -3.754813297e+00 -3.754813297e+00 2.62 -3.723258425e+00 -3.723258425e+00 2.64 -3.688270955e+00 -3.688270955e+00 2.66 -3.650204639e+00 -3.650204639e+00 2.68 -3.609387584e+00 -3.609387584e+00 2.70 -3.566123963e+00 -3.566123963e+00 2.72 -3.520695615e+00 -3.520695615e+00 2.74 -3.452985642e+00 -3.452985642e+00 2.76 -3.405222646e+00 -3.405222646e+00 2.78 -3.355946760e+00 -3.355946760e+00 2.80 -3.305368884e+00 -3.305368884e+00 2.82 -3.253683867e+00 -3.253683867e+00 2.84 -3.201071583e+00 -3.201071583e+00 2.86 -3.147697932e+00 -3.147697932e+00 2.88 -3.093715788e+00 -3.093715788e+00 2.90 -3.039265875e+00 -3.039265875e+00 2.92 -2.984477588e+00 -2.984477588e+00 2.94 -2.929469763e+00 -2.929469763e+00 2.96 -2.874351394e+00 -2.874351394e+00 2.98 -2.819222309e+00 -2.819222309e+00 3.00 -2.764173791e+00 -2.764173791e+00 3.02 -2.709289170e+00 -2.709289170e+00 3.04 -2.654644374e+00 -2.654644374e+00 3.06 -2.600308437e+00 -2.600308437e+00 3.08 -2.546343981e+00 -2.546343981e+00 3.10 -2.492807669e+00 -2.492807669e+00 3.12 -2.439750618e+00 -2.439750618e+00 3.14 -2.387218796e+00 -2.387218796e+00 3.16 -2.308138564e+00 -2.308138564e+00 3.18 -2.258203016e+00 -2.258203016e+00 3.20 -2.208828477e+00 -2.208828477e+00 3.22 -2.160047640e+00 -2.160047640e+00 3.24 -2.111889455e+00 -2.111889455e+00 3.26 -2.064379403e+00 -2.064379403e+00 3.28 -2.017539755e+00 -2.017539755e+00 3.30 -1.889476187e+00 -1.889476187e+00 3.32 -1.848160170e+00 -1.848160170e+00 3.34 -1.807357204e+00 -1.807357204e+00 3.36 -1.767089237e+00 -1.767089237e+00 3.38 -1.727375542e+00 -1.727375542e+00 3.40 -1.688232904e+00 -1.688232904e+00 3.42 -1.649675806e+00 -1.649675806e+00 3.44 -1.611716594e+00 -1.611716594e+00 3.46 -1.574365639e+00 -1.574365639e+00 3.48 -1.537631483e+00 -1.537631483e+00 3.50 -1.501520979e+00 -1.501520979e+00 3.52 -1.466039421e+00 -1.466039421e+00 3.54 -1.431190666e+00 -1.431190666e+00 3.56 -1.396977245e+00 -1.396977245e+00 3.58 -1.363400474e+00 -1.363400474e+00 3.60 -1.330460550e+00 -1.330460550e+00 3.62 -1.298156644e+00 -1.298156644e+00 3.64 -1.266486989e+00 -1.266486989e+00 3.66 -1.235448960e+00 -1.235448960e+00 3.68 -1.205039151e+00 -1.205039151e+00 3.70 -1.175253442e+00 -1.175253442e+00 3.72 -1.146087069e+00 -1.146087069e+00 3.74 -1.117534684e+00 -1.117534684e+00 3.76 -1.089590410e+00 -1.089590410e+00 3.78 -1.062247898e+00 -1.062247898e+00 3.80 -1.035500371e+00 -1.035500371e+00 3.82 -1.009340677e+00 -1.009340677e+00 3.84 -9.837613258e-01 -9.837613258e-01 3.86 -9.166345358e-01 -9.166345358e-01 3.88 -8.940078459e-01 -8.940078459e-01 3.90 -8.718594582e-01 -8.718594582e-01 3.92 -8.501842286e-01 -8.501842286e-01 3.94 -8.289767105e-01 -8.289767105e-01 3.96 -8.082311878e-01 -8.082311878e-01 3.98 -7.879417051e-01 -7.879417051e-01 4.00 -7.681020969e-01 -7.681020969e-01 4.02 -7.487060133e-01 -7.487060133e-01 4.04 -7.297469451e-01 -7.297469451e-01 4.06 -7.112182466e-01 -7.112182466e-01 4.08 -6.931131566e-01 -6.931131566e-01 4.10 -6.754248183e-01 -6.754248183e-01 4.12 -6.581462973e-01 -6.581462973e-01 4.14 -6.412705986e-01 -6.412705986e-01 4.16 -6.247906823e-01 -6.247906823e-01 4.18 -6.086994776e-01 -6.086994776e-01 4.20 -5.929898962e-01 -5.929898962e-01 4.22 -5.776548449e-01 -5.776548449e-01 4.24 -5.626872361e-01 -5.626872361e-01 4.26 -5.480799988e-01 -5.480799988e-01 4.28 -5.338260875e-01 -5.338260875e-01 4.30 -5.199184912e-01 -5.199184912e-01 4.32 -5.063502411e-01 -5.063502411e-01 4.34 -4.931144178e-01 -4.931144178e-01 4.36 -4.802041579e-01 -4.802041579e-01 4.38 -4.676126599e-01 -4.676126599e-01 4.40 -4.553331893e-01 -4.553331893e-01 4.42 -4.433590837e-01 -4.433590837e-01 4.44 -4.316837569e-01 -4.316837569e-01 4.46 -4.203007029e-01 -4.203007029e-01 4.48 -4.092034992e-01 -4.092034992e-01 4.50 -3.983858096e-01 -3.983858096e-01 4.52 -3.878413873e-01 -3.878413873e-01 4.54 -3.775640766e-01 -3.775640766e-01 4.56 -3.675478154e-01 -3.675478154e-01 4.58 -3.577866365e-01 -3.577866365e-01 4.60 -3.482746690e-01 -3.482746690e-01 4.62 -3.390061396e-01 -3.390061396e-01 4.64 -3.299753731e-01 -3.299753731e-01 4.66 -3.211767936e-01 -3.211767936e-01 4.68 -3.126049244e-01 -3.126049244e-01 4.70 -3.042543888e-01 -3.042543888e-01 4.72 -2.961199096e-01 -2.961199096e-01 4.74 -2.881963095e-01 -2.881963095e-01 4.76 -2.804785107e-01 -2.804785107e-01 4.78 -2.729615345e-01 -2.729615345e-01 4.80 -2.656405010e-01 -2.656405010e-01 4.82 -2.585106282e-01 -2.585106282e-01 4.84 -2.515672319e-01 -2.515672319e-01 4.86 -2.448057241e-01 -2.448057241e-01 4.88 -2.382216128e-01 -2.382216128e-01 4.90 -2.318105009e-01 -2.318105009e-01 4.92 -2.255680851e-01 -2.255680851e-01 4.94 -2.194901548e-01 -2.194901548e-01 4.96 -2.135725910e-01 -2.135725910e-01 4.98 -2.078113654e-01 -2.078113654e-01 5.00 -2.022025386e-01 -2.022025386e-01 5.02 -1.967422596e-01 -1.967422596e-01 5.04 -1.914267639e-01 -1.914267639e-01 5.06 -1.862523724e-01 -1.862523724e-01 5.08 -1.812154902e-01 -1.812154902e-01 5.10 -1.763126051e-01 -1.763126051e-01 5.12 -1.715402862e-01 -1.715402862e-01 5.14 -1.668951826e-01 -1.668951826e-01 5.16 -1.623740219e-01 -1.623740219e-01 5.18 -1.579736091e-01 -1.579736091e-01 5.20 -1.536908249e-01 -1.536908249e-01 5.22 -1.495226241e-01 -1.495226241e-01 5.24 -1.454660348e-01 -1.454660348e-01 5.26 -1.415181567e-01 -1.415181567e-01 5.28 -1.376761593e-01 -1.376761593e-01 5.30 -1.339372813e-01 -1.339372813e-01 5.32 -1.302988286e-01 -1.302988286e-01 5.34 -1.267581731e-01 -1.267581731e-01 5.36 -1.233127514e-01 -1.233127514e-01 5.38 -1.199600636e-01 -1.199600636e-01 5.40 -1.166976715e-01 -1.166976715e-01 5.42 -1.135231977e-01 -1.135231977e-01 5.44 -1.104343243e-01 -1.104343243e-01 5.46 -8.666693826e-02 -8.666693826e-02 5.48 -8.438036133e-02 -8.438036133e-02 5.50 -8.215326311e-02 -8.215326311e-02 5.52 -7.998414198e-02 -7.998414198e-02 5.54 -7.787153173e-02 -7.787153173e-02 5.56 -7.581400091e-02 -7.581400091e-02 5.58 -7.381015211e-02 -7.381015211e-02 5.60 -7.185862127e-02 -7.185862127e-02 5.62 -6.995807703e-02 -6.995807703e-02 5.64 -6.810722001e-02 -6.810722001e-02 5.66 -6.630478221e-02 -6.630478221e-02 5.68 -6.454952627e-02 -6.454952627e-02 5.70 -6.284024490e-02 -6.284024490e-02 5.72 -6.117576018e-02 -6.117576018e-02 5.74 -5.955492297e-02 -5.955492297e-02 5.76 -5.797661225e-02 -5.797661225e-02 5.78 -5.643973453e-02 -5.643973453e-02 5.80 -5.494322323e-02 -5.494322323e-02 5.82 -5.348603810e-02 -5.348603810e-02 5.84 -5.206716461e-02 -5.206716461e-02 5.86 -5.068561340e-02 -5.068561340e-02 5.88 -4.934041967e-02 -4.934041967e-02 5.90 -4.803064267e-02 -4.803064267e-02 5.92 -4.675536513e-02 -4.675536513e-02 5.94 -4.551369272e-02 -4.551369272e-02 5.96 -4.430475351e-02 -4.430475351e-02 5.98 -4.312769747e-02 -4.312769747e-02 6.00 -4.198169595e-02 -4.198169595e-02