# 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 = AlMnNi2 # 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 2.172248414e+02 2.172248414e+02 1.10 2.007276540e+02 2.007276540e+02 1.12 1.852156665e+02 1.852156665e+02 1.14 1.708443192e+02 1.708443192e+02 1.16 1.578201850e+02 1.578201850e+02 1.18 1.457203645e+02 1.457203645e+02 1.20 1.349836756e+02 1.349836756e+02 1.22 1.246508646e+02 1.246508646e+02 1.24 1.150002223e+02 1.150002223e+02 1.26 1.062809642e+02 1.062808704e+02 1.28 9.817354742e+01 9.817354742e+01 1.30 9.068419562e+01 9.068419562e+01 1.32 8.359750011e+01 8.359750011e+01 1.34 7.733324856e+01 7.733324856e+01 1.36 7.123286196e+01 7.123286196e+01 1.38 6.561175744e+01 6.561175744e+01 1.40 6.037972442e+01 6.037972442e+01 1.42 5.553294815e+01 5.553294815e+01 1.44 5.133850461e+01 5.133850461e+01 1.46 4.736699560e+01 4.736699560e+01 1.48 4.345520670e+01 4.345520670e+01 1.50 3.982915637e+01 3.982915637e+01 1.52 3.656621339e+01 3.656621339e+01 1.54 3.364618550e+01 3.364618550e+01 1.56 3.072517400e+01 3.072517400e+01 1.58 2.805362960e+01 2.805362960e+01 1.60 2.553892335e+01 2.553892335e+01 1.62 2.320726954e+01 2.320726954e+01 1.64 2.104538915e+01 2.104538915e+01 1.66 1.913627290e+01 1.913627290e+01 1.68 1.737144602e+01 1.737144602e+01 1.70 1.563147003e+01 1.563147003e+01 1.72 1.401931364e+01 1.401931364e+01 1.74 1.263159160e+01 1.263159160e+01 1.76 1.123929128e+01 1.123929128e+01 1.78 9.950408002e+00 9.950408002e+00 1.80 8.757679752e+00 8.757679752e+00 1.82 7.781836061e+00 7.781836061e+00 1.84 6.750756525e+00 6.750756525e+00 1.86 6.004535039e+00 6.004535039e+00 1.88 5.107274978e+00 5.107274978e+00 1.90 4.279289064e+00 4.279289064e+00 1.92 3.515751052e+00 3.515751052e+00 1.94 2.866196120e+00 2.866196120e+00 1.96 2.214160482e+00 2.214160482e+00 1.98 1.614379574e+00 1.614379574e+00 2.00 1.063221475e+00 1.063221475e+00 2.02 5.573065999e-01 5.573065999e-01 2.04 9.348911654e-02 9.348911654e-02 2.06 -3.311601478e-01 -3.311601478e-01 2.08 -7.193694420e-01 -7.193694420e-01 2.10 -9.810451046e-01 -9.810428538e-01 2.12 -1.259995613e+00 -1.259995613e+00 2.14 -1.563604285e+00 -1.563604285e+00 2.16 -1.839198507e+00 -1.839198507e+00 2.18 -2.088753203e+00 -2.088753203e+00 2.20 -2.314110164e+00 -2.314110164e+00 2.22 -2.516987300e+00 -2.516987300e+00 2.24 -2.590902597e+00 -2.590902597e+00 2.26 -2.760936470e+00 -2.760936470e+00 2.28 -2.912474775e+00 -2.912474775e+00 2.30 -3.046854151e+00 -3.046854151e+00 2.32 -3.165322016e+00 -3.165322016e+00 2.34 -3.269042586e+00 -3.269042586e+00 2.36 -3.359102462e+00 -3.359102462e+00 2.38 -3.436515827e+00 -3.436515827e+00 2.40 -3.502229276e+00 -3.502229276e+00 2.42 -3.557126305e+00 -3.557126305e+00 2.44 -3.499451850e+00 -3.499451850e+00 2.46 -3.541784039e+00 -3.541784039e+00 2.48 -3.575182919e+00 -3.575182919e+00 2.50 -3.600346057e+00 -3.600346057e+00 2.52 -3.513155746e+00 -3.513155746e+00 2.54 -3.530331942e+00 -3.530331942e+00 2.56 -3.540686538e+00 -3.540686538e+00 2.58 -3.544773552e+00 -3.544773552e+00 2.60 -3.543109843e+00 -3.543109843e+00 2.62 -3.536177500e+00 -3.536177500e+00 2.64 -3.524426087e+00 -3.524426087e+00 2.66 -3.508274725e+00 -3.508274725e+00 2.68 -3.488114055e+00 -3.488114055e+00 2.70 -3.464308066e+00 -3.464308066e+00 2.72 -3.437195802e+00 -3.437195802e+00 2.74 -3.379801645e+00 -3.379801645e+00 2.76 -3.348540893e+00 -3.348540893e+00 2.78 -3.314770109e+00 -3.314770109e+00 2.80 -3.278748429e+00 -3.278748429e+00 2.82 -3.240716823e+00 -3.240716823e+00 2.84 -3.200899252e+00 -3.200899252e+00 2.86 -3.159503761e+00 -3.159503761e+00 2.88 -3.116723500e+00 -3.116723500e+00 2.90 -3.072737679e+00 -3.072737679e+00 2.92 -3.027712467e+00 -3.027712467e+00 2.94 -2.981801830e+00 -2.981801830e+00 2.96 -2.935148320e+00 -2.935148320e+00 2.98 -2.887883810e+00 -2.887883810e+00 3.00 -2.840130188e+00 -2.840130188e+00 3.02 -2.792000004e+00 -2.792000004e+00 3.04 -2.743597077e+00 -2.743597077e+00 3.06 -2.695017065e+00 -2.695017065e+00 3.08 -2.646348000e+00 -2.646348000e+00 3.10 -2.597670788e+00 -2.597670788e+00 3.12 -2.549059676e+00 -2.549059676e+00 3.14 -2.500582696e+00 -2.500582696e+00 3.16 -2.418982571e+00 -2.418982571e+00 3.18 -2.372640781e+00 -2.372640781e+00 3.20 -2.326518994e+00 -2.326518994e+00 3.22 -2.280668483e+00 -2.280668483e+00 3.24 -2.235135920e+00 -2.235135920e+00 3.26 -2.189963681e+00 -2.189963681e+00 3.28 -2.145190134e+00 -2.145190134e+00 3.30 -1.992954457e+00 -1.992954457e+00 3.32 -1.954269799e+00 -1.954269799e+00 3.34 -1.915828926e+00 -1.915828926e+00 3.36 -1.877668515e+00 -1.877668515e+00 3.38 -1.839821893e+00 -1.839821893e+00 3.40 -1.802319252e+00 -1.802319252e+00 3.42 -1.765187859e+00 -1.765187859e+00 3.44 -1.728452254e+00 -1.728452254e+00 3.46 -1.692134427e+00 -1.692134427e+00 3.48 -1.656253997e+00 -1.656253997e+00 3.50 -1.620828368e+00 -1.620828368e+00 3.52 -1.585872888e+00 -1.585872888e+00 3.54 -1.551400985e+00 -1.551400985e+00 3.56 -1.517424304e+00 -1.517424304e+00 3.58 -1.483952835e+00 -1.483952835e+00 3.60 -1.450995028e+00 -1.450995028e+00 3.62 -1.418557907e+00 -1.418557907e+00 3.64 -1.386647171e+00 -1.386647171e+00 3.66 -1.355267296e+00 -1.355267296e+00 3.68 -1.324421621e+00 -1.324421621e+00 3.70 -1.294112439e+00 -1.294112439e+00 3.72 -1.264341077e+00 -1.264341077e+00 3.74 -1.235107967e+00 -1.235107967e+00 3.76 -1.206412724e+00 -1.206412724e+00 3.78 -1.178254204e+00 -1.178254204e+00 3.80 -1.150630575e+00 -1.150630575e+00 3.82 -1.123539367e+00 -1.123539367e+00 3.84 -1.096977532e+00 -1.096977532e+00 3.86 -1.014659158e+00 -1.014659158e+00 3.88 -9.914077475e-01 -9.914077475e-01 3.90 -9.685826604e-01 -9.685826604e-01 3.92 -9.461826309e-01 -9.461826309e-01 3.94 -9.242058950e-01 -9.242058950e-01 3.96 -9.026502318e-01 -9.026502318e-01 3.98 -8.815130022e-01 -8.815130022e-01 4.00 -8.607911855e-01 -8.607911855e-01 4.02 -8.404814132e-01 -8.404814132e-01 4.04 -8.205800015e-01 -8.205800015e-01 4.06 -8.010829803e-01 -8.010829803e-01 4.08 -7.819861219e-01 -7.819861219e-01 4.10 -7.632849667e-01 -7.632849667e-01 4.12 -7.449748476e-01 -7.449748476e-01 4.14 -7.270509131e-01 -7.270509131e-01 4.16 -7.095081481e-01 -7.095081481e-01 4.18 -6.923413939e-01 -6.923413939e-01 4.20 -6.755453668e-01 -6.755453668e-01 4.22 -6.591146752e-01 -6.591146752e-01 4.24 -6.430438355e-01 -6.430438355e-01 4.26 -6.273272872e-01 -6.273272872e-01 4.28 -6.119594066e-01 -6.119594066e-01 4.30 -5.969345196e-01 -5.969345196e-01 4.32 -5.822469137e-01 -5.822469137e-01 4.34 -5.678908491e-01 -5.678908491e-01 4.36 -5.538605687e-01 -5.538605687e-01 4.38 -5.401503076e-01 -5.401503076e-01 4.40 -5.267543019e-01 -5.267543019e-01 4.42 -5.136667967e-01 -5.136667967e-01 4.44 -5.008820533e-01 -5.008820533e-01 4.46 -4.883943564e-01 -4.883943564e-01 4.48 -4.761980197e-01 -4.761980197e-01 4.50 -4.642873923e-01 -4.642873923e-01 4.52 -4.526568633e-01 -4.526568633e-01 4.54 -4.413008669e-01 -4.413008669e-01 4.56 -4.302138866e-01 -4.302138866e-01 4.58 -4.193904591e-01 -4.193904591e-01 4.60 -4.088251777e-01 -4.088251777e-01 4.62 -3.985126957e-01 -3.985126957e-01 4.64 -3.884477290e-01 -3.884477290e-01 4.66 -3.786250589e-01 -3.786250589e-01 4.68 -3.690395340e-01 -3.690395340e-01 4.70 -3.596860725e-01 -3.596860725e-01 4.72 -3.505596635e-01 -3.505596635e-01 4.74 -3.416553690e-01 -3.416553690e-01 4.76 -3.329683247e-01 -3.329683247e-01 4.78 -3.244937414e-01 -3.244937414e-01 4.80 -3.162269056e-01 -3.162269056e-01 4.82 -3.081631805e-01 -3.081631805e-01 4.84 -3.002980061e-01 -3.002980061e-01 4.86 -2.926269002e-01 -2.926269002e-01 4.88 -2.851454579e-01 -2.851454579e-01 4.90 -2.778493524e-01 -2.778493524e-01 4.92 -2.707343346e-01 -2.707343346e-01 4.94 -2.637962332e-01 -2.637962332e-01 4.96 -2.570309543e-01 -2.570309543e-01 4.98 -2.504344812e-01 -2.504344812e-01 5.00 -2.440028741e-01 -2.440028741e-01 5.02 -2.377322694e-01 -2.377322694e-01 5.04 -2.316188794e-01 -2.316188794e-01 5.06 -2.256589916e-01 -2.256589916e-01 5.08 -2.198489681e-01 -2.198489681e-01 5.10 -2.141852446e-01 -2.141852446e-01 5.12 -2.086643302e-01 -2.086643302e-01 5.14 -2.032828061e-01 -2.032828061e-01 5.16 -1.980373249e-01 -1.980373249e-01 5.18 -1.929246098e-01 -1.929246098e-01 5.20 -1.879414536e-01 -1.879414536e-01 5.22 -1.830847180e-01 -1.830847180e-01 5.24 -1.783513321e-01 -1.783513321e-01 5.26 -1.737382921e-01 -1.737382921e-01 5.28 -1.692426598e-01 -1.692426598e-01 5.30 -1.648615619e-01 -1.648615619e-01 5.32 -1.605921887e-01 -1.605921887e-01 5.34 -1.564317933e-01 -1.564317933e-01 5.36 -1.523776904e-01 -1.523776904e-01 5.38 -1.484272554e-01 -1.484272554e-01 5.40 -1.445779232e-01 -1.445779232e-01 5.42 -1.408271874e-01 -1.408271874e-01 5.44 -1.371725988e-01 -1.371725988e-01 5.46 -1.081198670e-01 -1.081198670e-01 5.48 -1.054030860e-01 -1.054030860e-01 5.50 -1.027533203e-01 -1.027533203e-01 5.52 -1.001689834e-01 -1.001689834e-01 5.54 -9.764852302e-02 -9.764852302e-02 5.56 -9.519042036e-02 -9.519042036e-02 5.58 -9.279318944e-02 -9.279318944e-02 5.60 -9.045537668e-02 -9.045537668e-02 5.62 -8.817556035e-02 -8.817556035e-02 5.64 -8.595235002e-02 -8.595235002e-02 5.66 -8.378438600e-02 -8.378438600e-02 5.68 -8.167033884e-02 -8.167033884e-02 5.70 -7.960890876e-02 -7.960890876e-02 5.72 -7.759882514e-02 -7.759882514e-02 5.74 -7.563884595e-02 -7.563884595e-02 5.76 -7.372775724e-02 -7.372775724e-02 5.78 -7.186437262e-02 -7.186437262e-02 5.80 -7.004753271e-02 -7.004753271e-02 5.82 -6.827610467e-02 -6.827610467e-02 5.84 -6.654898161e-02 -6.654898161e-02 5.86 -6.486508213e-02 -6.486508213e-02 5.88 -6.322334981e-02 -6.322334981e-02 5.90 -6.162275271e-02 -6.162275271e-02 5.92 -6.006228284e-02 -6.006228284e-02 5.94 -5.854095574e-02 -5.854095574e-02 5.96 -5.705780992e-02 -5.705780992e-02 5.98 -5.561190644e-02 -5.561190644e-02 6.00 -5.420232841e-02 -5.420232841e-02