# 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 = Al2MnNi # 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 2.252901280e+02 2.252901280e+02 1.10 2.086435328e+02 2.086435328e+02 1.12 1.928959688e+02 1.928959688e+02 1.14 1.782653982e+02 1.782653982e+02 1.16 1.650316541e+02 1.650316541e+02 1.18 1.527159135e+02 1.527159135e+02 1.20 1.418845829e+02 1.418845829e+02 1.22 1.313376411e+02 1.313376411e+02 1.24 1.214468034e+02 1.214468034e+02 1.26 1.125545250e+02 1.125545617e+02 1.28 1.042474902e+02 1.042474902e+02 1.30 9.657870020e+01 9.657870020e+01 1.32 8.927151029e+01 8.927151029e+01 1.34 8.289331858e+01 8.289331858e+01 1.36 7.657859778e+01 7.657859778e+01 1.38 7.075825163e+01 7.075825163e+01 1.40 6.532619025e+01 6.532619025e+01 1.42 6.028636021e+01 6.028636021e+01 1.44 5.596543407e+01 5.596543407e+01 1.46 5.187168450e+01 5.187168450e+01 1.48 4.777560524e+01 4.777560524e+01 1.50 4.397193540e+01 4.397193540e+01 1.52 4.057854401e+01 4.057854401e+01 1.54 3.753178807e+01 3.753178807e+01 1.56 3.444502252e+01 3.444502252e+01 1.58 3.162427988e+01 3.162427988e+01 1.60 2.895501793e+01 2.895501793e+01 1.62 2.647450933e+01 2.647450933e+01 1.64 2.416925177e+01 2.416925177e+01 1.66 2.216169157e+01 2.216169157e+01 1.68 2.028152721e+01 2.028152721e+01 1.70 1.840912838e+01 1.840912838e+01 1.72 1.666955439e+01 1.666955439e+01 1.74 1.518948338e+01 1.518948338e+01 1.76 1.367708283e+01 1.367708283e+01 1.78 1.227271719e+01 1.227271719e+01 1.80 1.096895610e+01 1.096895610e+01 1.82 9.938529577e+00 9.938529577e+00 1.84 8.801471226e+00 8.801471226e+00 1.86 7.994858316e+00 7.994858316e+00 1.88 6.996890924e+00 6.996890924e+00 1.90 6.072289640e+00 6.072289640e+00 1.92 5.216076573e+00 5.216076573e+00 1.94 4.493034774e+00 4.493034774e+00 1.96 3.754794039e+00 3.754794039e+00 1.98 3.072385674e+00 3.072385674e+00 2.00 2.442044958e+00 2.442044958e+00 2.02 1.860264433e+00 1.860264433e+00 2.04 1.323775100e+00 1.323775100e+00 2.06 8.295291219e-01 8.295291219e-01 2.08 3.746838920e-01 3.746838920e-01 2.10 6.759006203e-02 6.758918127e-02 2.12 -2.633740740e-01 -2.633740740e-01 2.14 -6.271066190e-01 -6.271066190e-01 2.16 -9.601788687e-01 -9.601788687e-01 2.18 -1.264666676e+00 -1.264666676e+00 2.20 -1.542509184e+00 -1.542509184e+00 2.22 -1.795518209e+00 -1.795518209e+00 2.24 -1.886504614e+00 -1.886504614e+00 2.26 -2.103934567e+00 -2.103934567e+00 2.28 -2.300689668e+00 -2.300689668e+00 2.30 -2.478191784e+00 -2.478191784e+00 2.32 -2.637770588e+00 -2.637770588e+00 2.34 -2.780669670e+00 -2.780669670e+00 2.36 -2.908052216e+00 -2.908052216e+00 2.38 -3.021006293e+00 -3.021006293e+00 2.40 -3.120549765e+00 -3.120549765e+00 2.42 -3.207634869e+00 -3.207634869e+00 2.44 -3.138658465e+00 -3.138658465e+00 2.46 -3.212124317e+00 -3.212124317e+00 2.48 -3.275116335e+00 -3.275116335e+00 2.50 -3.328394769e+00 -3.328394769e+00 2.52 -3.246949497e+00 -3.246949497e+00 2.54 -3.290575338e+00 -3.290575338e+00 2.56 -3.326021160e+00 -3.326021160e+00 2.58 -3.353897780e+00 -3.353897780e+00 2.60 -3.374776816e+00 -3.374776816e+00 2.62 -3.389193144e+00 -3.389193144e+00 2.64 -3.397647186e+00 -3.397647186e+00 2.66 -3.400607064e+00 -3.400607064e+00 2.68 -3.398510606e+00 -3.398510606e+00 2.70 -3.391767231e+00 -3.391767231e+00 2.72 -3.380759716e+00 -3.380759716e+00 2.74 -3.330793696e+00 -3.330793696e+00 2.76 -3.314198485e+00 -3.314198485e+00 2.78 -3.294242018e+00 -3.294242018e+00 2.80 -3.271221414e+00 -3.271221414e+00 2.82 -3.245414163e+00 -3.245414163e+00 2.84 -3.217079340e+00 -3.217079340e+00 2.86 -3.186458733e+00 -3.186458733e+00 2.88 -3.153777919e+00 -3.153777919e+00 2.90 -3.119247257e+00 -3.119247257e+00 2.92 -3.083062832e+00 -3.083062832e+00 2.94 -3.045407335e+00 -3.045407335e+00 2.96 -3.006450890e+00 -3.006450890e+00 2.98 -2.966351834e+00 -2.966351834e+00 3.00 -2.925257445e+00 -2.925257445e+00 3.02 -2.883304629e+00 -2.883304629e+00 3.04 -2.840620564e+00 -2.840620564e+00 3.06 -2.797323305e+00 -2.797323305e+00 3.08 -2.753522353e+00 -2.753522353e+00 3.10 -2.709319186e+00 -2.709319186e+00 3.12 -2.664807768e+00 -2.664807768e+00 3.14 -2.620075012e+00 -2.620075012e+00 3.16 -2.528175678e+00 -2.528175678e+00 3.18 -2.485439090e+00 -2.485439090e+00 3.20 -2.442601034e+00 -2.442601034e+00 3.22 -2.399729154e+00 -2.399729154e+00 3.24 -2.356885798e+00 -2.356885798e+00 3.26 -2.314128356e+00 -2.314128356e+00 3.28 -2.271509570e+00 -2.271509570e+00 3.30 -2.099706327e+00 -2.099706327e+00 3.32 -2.063567295e+00 -2.063567295e+00 3.34 -2.027418217e+00 -2.027418217e+00 3.36 -1.991308947e+00 -1.991308947e+00 3.38 -1.955285426e+00 -1.955285426e+00 3.40 -1.919389930e+00 -1.919389930e+00 3.42 -1.883661288e+00 -1.883661288e+00 3.44 -1.848135102e+00 -1.848135102e+00 3.46 -1.812843948e+00 -1.812843948e+00 3.48 -1.777817564e+00 -1.777817564e+00 3.50 -1.743083033e+00 -1.743083033e+00 3.52 -1.708664948e+00 -1.708664948e+00 3.54 -1.674585573e+00 -1.674585573e+00 3.56 -1.640864995e+00 -1.640864995e+00 3.58 -1.607521261e+00 -1.607521261e+00 3.60 -1.574570515e+00 -1.574570515e+00 3.62 -1.542027123e+00 -1.542027123e+00 3.64 -1.509903787e+00 -1.509903787e+00 3.66 -1.478211660e+00 -1.478211660e+00 3.68 -1.446960453e+00 -1.446960453e+00 3.70 -1.416158525e+00 -1.416158525e+00 3.72 -1.385812985e+00 -1.385812985e+00 3.74 -1.355929773e+00 -1.355929773e+00 3.76 -1.326513747e+00 -1.326513747e+00 3.78 -1.297568753e+00 -1.297568753e+00 3.80 -1.269097705e+00 -1.269097705e+00 3.82 -1.241102650e+00 -1.241102650e+00 3.84 -1.213584832e+00 -1.213584832e+00 3.86 -1.114356532e+00 -1.114356532e+00 3.88 -1.090569129e+00 -1.090569129e+00 3.90 -1.067152232e+00 -1.067152232e+00 3.92 -1.044108455e+00 -1.044108455e+00 3.94 -1.021439728e+00 -1.021439728e+00 3.96 -9.991473463e-01 -9.991473463e-01 3.98 -9.772320191e-01 -9.772320191e-01 4.00 -9.556939104e-01 -9.556939104e-01 4.02 -9.345326805e-01 -9.345326805e-01 4.04 -9.137475246e-01 -9.137475246e-01 4.06 -8.933372084e-01 -8.933372084e-01 4.08 -8.733001024e-01 -8.733001024e-01 4.10 -8.536342138e-01 -8.536342138e-01 4.12 -8.343372159e-01 -8.343372159e-01 4.14 -8.154064770e-01 -8.154064770e-01 4.16 -7.968390863e-01 -7.968390863e-01 4.18 -7.786318788e-01 -7.786318788e-01 4.20 -7.607814587e-01 -7.607814587e-01 4.22 -7.432842208e-01 -7.432842208e-01 4.24 -7.261363716e-01 -7.261363716e-01 4.26 -7.093339478e-01 -7.093339478e-01 4.28 -6.928728345e-01 -6.928728345e-01 4.30 -6.767487819e-01 -6.767487819e-01 4.32 -6.609574211e-01 -6.609574211e-01 4.34 -6.454942787e-01 -6.454942787e-01 4.36 -6.303547903e-01 -6.303547903e-01 4.38 -6.155343136e-01 -6.155343136e-01 4.40 -6.010281400e-01 -6.010281400e-01 4.42 -5.868315062e-01 -5.868315062e-01 4.44 -5.729396037e-01 -5.729396037e-01 4.46 -5.593475893e-01 -5.593475893e-01 4.48 -5.460505935e-01 -5.460505935e-01 4.50 -5.330437292e-01 -5.330437292e-01 4.52 -5.203220990e-01 -5.203220990e-01 4.54 -5.078808024e-01 -5.078808024e-01 4.56 -4.957149428e-01 -4.957149428e-01 4.58 -4.838196332e-01 -4.838196332e-01 4.60 -4.721900019e-01 -4.721900019e-01 4.62 -4.608211978e-01 -4.608211978e-01 4.64 -4.497083953e-01 -4.497083953e-01 4.66 -4.388467981e-01 -4.388467981e-01 4.68 -4.282316439e-01 -4.282316439e-01 4.70 -4.178582078e-01 -4.178582078e-01 4.72 -4.077218054e-01 -4.077218054e-01 4.74 -3.978177963e-01 -3.978177963e-01 4.76 -3.881415863e-01 -3.881415863e-01 4.78 -3.786886304e-01 -3.786886304e-01 4.80 -3.694544348e-01 -3.694544348e-01 4.82 -3.604345589e-01 -3.604345589e-01 4.84 -3.516246171e-01 -3.516246171e-01 4.86 -3.430202803e-01 -3.430202803e-01 4.88 -3.346172775e-01 -3.346172775e-01 4.90 -3.264113966e-01 -3.264113966e-01 4.92 -3.183984861e-01 -3.183984861e-01 4.94 -3.105744551e-01 -3.105744551e-01 4.96 -3.029352749e-01 -3.029352749e-01 4.98 -2.954769789e-01 -2.954769789e-01 5.00 -2.881956635e-01 -2.881956635e-01 5.02 -2.810874884e-01 -2.810874884e-01 5.04 -2.741486768e-01 -2.741486768e-01 5.06 -2.673755152e-01 -2.673755152e-01 5.08 -2.607643541e-01 -2.607643541e-01 5.10 -2.543116075e-01 -2.543116075e-01 5.12 -2.480137529e-01 -2.480137529e-01 5.14 -2.418673313e-01 -2.418673313e-01 5.16 -2.358689464e-01 -2.358689464e-01 5.18 -2.300152650e-01 -2.300152650e-01 5.20 -2.243030162e-01 -2.243030162e-01 5.22 -2.187289908e-01 -2.187289908e-01 5.24 -2.132900413e-01 -2.132900413e-01 5.26 -2.079830811e-01 -2.079830811e-01 5.28 -2.028050839e-01 -2.028050839e-01 5.30 -1.977530832e-01 -1.977530832e-01 5.32 -1.928241716e-01 -1.928241716e-01 5.34 -1.880155003e-01 -1.880155003e-01 5.36 -1.833242782e-01 -1.833242782e-01 5.38 -1.787477712e-01 -1.787477712e-01 5.40 -1.742833016e-01 -1.742833016e-01 5.42 -1.699282474e-01 -1.699282474e-01 5.44 -1.656800413e-01 -1.656800413e-01 5.46 -1.256120140e-01 -1.256120140e-01 5.48 -1.225518674e-01 -1.225518674e-01 5.50 -1.195644719e-01 -1.195644719e-01 5.52 -1.166481886e-01 -1.166481886e-01 5.54 -1.138014110e-01 -1.138014110e-01 5.56 -1.110225642e-01 -1.110225642e-01 5.58 -1.083101051e-01 -1.083101051e-01 5.60 -1.056625214e-01 -1.056625214e-01 5.62 -1.030783315e-01 -1.030783315e-01 5.64 -1.005560842e-01 -1.005560842e-01 5.66 -9.809435796e-02 -9.809435796e-02 5.68 -9.569176057e-02 -9.569176057e-02 5.70 -9.334692887e-02 -9.334692887e-02 5.72 -9.105852821e-02 -9.105852821e-02 5.74 -8.882525197e-02 -8.882525197e-02 5.76 -8.664582117e-02 -8.664582117e-02 5.78 -8.451898402e-02 -8.451898402e-02 5.80 -8.244351545e-02 -8.244351545e-02 5.82 -8.041821668e-02 -8.041821668e-02 5.84 -7.844191480e-02 -7.844191480e-02 5.86 -7.651346226e-02 -7.651346226e-02 5.88 -7.463173651e-02 -7.463173651e-02 5.90 -7.279563946e-02 -7.279563946e-02 5.92 -7.100409714e-02 -7.100409714e-02 5.94 -6.925605920e-02 -6.925605920e-02 5.96 -6.755049847e-02 -6.755049847e-02 5.98 -6.588641060e-02 -6.588641060e-02 6.00 -6.426281353e-02 -6.426281353e-02