# 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 = Al2CoCr # 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 2.390688482e+02 2.390688482e+02 1.10 2.211417006e+02 2.211417006e+02 1.12 2.042275108e+02 2.042275108e+02 1.14 1.885316904e+02 1.885316904e+02 1.16 1.743253760e+02 1.743253760e+02 1.18 1.611248268e+02 1.611248268e+02 1.20 1.494869155e+02 1.494869155e+02 1.22 1.382018424e+02 1.382018424e+02 1.24 1.276349008e+02 1.276349008e+02 1.26 1.181269147e+02 1.181269084e+02 1.28 1.092543977e+02 1.092543977e+02 1.30 1.010722606e+02 1.010722606e+02 1.32 9.329332792e+01 9.329332792e+01 1.34 8.648768985e+01 8.648768985e+01 1.36 7.977851683e+01 7.977851683e+01 1.38 7.359834617e+01 7.359834617e+01 1.40 6.783726458e+01 6.783726458e+01 1.42 6.249706347e+01 6.249706347e+01 1.44 5.790022075e+01 5.790022075e+01 1.46 5.355992597e+01 5.355992597e+01 1.48 4.923500368e+01 4.923500368e+01 1.50 4.522283283e+01 4.522283283e+01 1.52 4.164181109e+01 4.164181109e+01 1.54 3.842087512e+01 3.842087512e+01 1.56 3.517658915e+01 3.517658915e+01 1.58 3.221341703e+01 3.221341703e+01 1.60 2.941429131e+01 2.941429131e+01 1.62 2.681610934e+01 2.681610934e+01 1.64 2.440436251e+01 2.440436251e+01 1.66 2.230268114e+01 2.230268114e+01 1.68 2.033485785e+01 2.033485785e+01 1.70 1.838396248e+01 1.838396248e+01 1.72 1.657386815e+01 1.657386815e+01 1.74 1.503232716e+01 1.503232716e+01 1.76 1.346319188e+01 1.346319188e+01 1.78 1.200826862e+01 1.200826862e+01 1.80 1.065960994e+01 1.065960994e+01 1.82 9.592374662e+00 9.592374662e+00 1.84 8.419998878e+00 8.419998878e+00 1.86 7.581341146e+00 7.581341146e+00 1.88 6.556308031e+00 6.556308031e+00 1.90 5.608338914e+00 5.608338914e+00 1.92 4.732134221e+00 4.732134221e+00 1.94 3.993079731e+00 3.993079731e+00 1.96 3.240626241e+00 3.240626241e+00 1.98 2.546574798e+00 2.546574798e+00 2.00 1.906928850e+00 1.906928850e+00 2.02 1.317967631e+00 1.317967631e+00 2.04 7.762258767e-01 7.762258767e-01 2.06 2.784751706e-01 2.784751706e-01 2.08 -1.782932260e-01 -1.782932260e-01 2.10 -4.862905353e-01 -4.862903849e-01 2.12 -8.168041860e-01 -8.168041860e-01 2.14 -1.178667345e+00 -1.178667345e+00 2.16 -1.508813514e+00 -1.508813514e+00 2.18 -1.809429798e+00 -1.809429798e+00 2.20 -2.082557508e+00 -2.082557508e+00 2.22 -2.330102256e+00 -2.330102256e+00 2.24 -2.413162472e+00 -2.413162472e+00 2.26 -2.624071386e+00 -2.624071386e+00 2.28 -2.813774782e+00 -2.813774782e+00 2.30 -2.983762549e+00 -2.983762549e+00 2.32 -3.135426627e+00 -3.135426627e+00 2.34 -3.270067570e+00 -3.270067570e+00 2.36 -3.388900635e+00 -3.388900635e+00 2.38 -3.493061444e+00 -3.493061444e+00 2.40 -3.583611248e+00 -3.583611248e+00 2.42 -3.661541831e+00 -3.661541831e+00 2.44 -3.580942696e+00 -3.580942696e+00 2.46 -3.645251685e+00 -3.645251685e+00 2.48 -3.699005994e+00 -3.699005994e+00 2.50 -3.742994323e+00 -3.742994323e+00 2.52 -3.652774965e+00 -3.652774965e+00 2.54 -3.687137487e+00 -3.687137487e+00 2.56 -3.713328370e+00 -3.713328370e+00 2.58 -3.731978299e+00 -3.731978299e+00 2.60 -3.743676743e+00 -3.743676743e+00 2.62 -3.748974569e+00 -3.748974569e+00 2.64 -3.748386485e+00 -3.748386485e+00 2.66 -3.742393327e+00 -3.742393327e+00 2.68 -3.731444192e+00 -3.731444192e+00 2.70 -3.715958446e+00 -3.715958446e+00 2.72 -3.696327592e+00 -3.696327592e+00 2.74 -3.637408167e+00 -3.637408167e+00 2.76 -3.612489429e+00 -3.612489429e+00 2.78 -3.584345123e+00 -3.584345123e+00 2.80 -3.553277404e+00 -3.553277404e+00 2.82 -3.519567996e+00 -3.519567996e+00 2.84 -3.483479471e+00 -3.483479471e+00 2.86 -3.445256451e+00 -3.445256451e+00 2.88 -3.405126735e+00 -3.405126735e+00 2.90 -3.363302350e+00 -3.363302350e+00 2.92 -3.319980543e+00 -3.319980543e+00 2.94 -3.275344710e+00 -3.275344710e+00 2.96 -3.229565268e+00 -3.229565268e+00 2.98 -3.182800469e+00 -3.182800469e+00 3.00 -3.135197168e+00 -3.135197168e+00 3.02 -3.086891546e+00 -3.086891546e+00 3.04 -3.038009780e+00 -3.038009780e+00 3.06 -2.988668681e+00 -2.988668681e+00 3.08 -2.938976286e+00 -2.938976286e+00 3.10 -2.889032421e+00 -2.889032421e+00 3.12 -2.838929219e+00 -2.838929219e+00 3.14 -2.788751616e+00 -2.788751616e+00 3.16 -2.690799542e+00 -2.690799542e+00 3.18 -2.642959606e+00 -2.642959606e+00 3.20 -2.595154845e+00 -2.595154845e+00 3.22 -2.547450732e+00 -2.547450732e+00 3.24 -2.499907357e+00 -2.499907357e+00 3.26 -2.452579780e+00 -2.452579780e+00 3.28 -2.405518353e+00 -2.405518353e+00 3.30 -2.229911071e+00 -2.229911071e+00 3.32 -2.189624605e+00 -2.189624605e+00 3.34 -2.149442366e+00 -2.149442366e+00 3.36 -2.109412132e+00 -2.109412132e+00 3.38 -2.069577723e+00 -2.069577723e+00 3.40 -2.029979256e+00 -2.029979256e+00 3.42 -1.990653374e+00 -1.990653374e+00 3.44 -1.951633475e+00 -1.951633475e+00 3.46 -1.912949915e+00 -1.912949915e+00 3.48 -1.874630205e+00 -1.874630205e+00 3.50 -1.836699199e+00 -1.836699199e+00 3.52 -1.799179263e+00 -1.799179263e+00 3.54 -1.762090443e+00 -1.762090443e+00 3.56 -1.725450618e+00 -1.725450618e+00 3.58 -1.689275643e+00 -1.689275643e+00 3.60 -1.653579488e+00 -1.653579488e+00 3.62 -1.618374365e+00 -1.618374365e+00 3.64 -1.583670847e+00 -1.583670847e+00 3.66 -1.549477987e+00 -1.549477987e+00 3.68 -1.515803416e+00 -1.515803416e+00 3.70 -1.482653454e+00 -1.482653454e+00 3.72 -1.450033193e+00 -1.450033193e+00 3.74 -1.417946594e+00 -1.417946594e+00 3.76 -1.386396567e+00 -1.386396567e+00 3.78 -1.355385049e+00 -1.355385049e+00 3.80 -1.324913077e+00 -1.324913077e+00 3.82 -1.294980857e+00 -1.294980857e+00 3.84 -1.265587833e+00 -1.265587833e+00 3.86 -1.163586138e+00 -1.163586138e+00 3.88 -1.138101908e+00 -1.138101908e+00 3.90 -1.113041552e+00 -1.113041552e+00 3.92 -1.088406215e+00 -1.088406215e+00 3.94 -1.064196385e+00 -1.064196385e+00 3.96 -1.040411948e+00 -1.040411948e+00 3.98 -1.017052227e+00 -1.017052227e+00 4.00 -9.941160333e-01 -9.941160333e-01 4.02 -9.716017006e-01 -9.716017006e-01 4.04 -9.495071279e-01 -9.495071279e-01 4.06 -9.278298136e-01 -9.278298136e-01 4.08 -9.065668899e-01 -9.065668899e-01 4.10 -8.857151541e-01 -8.857151541e-01 4.12 -8.652710991e-01 -8.652710991e-01 4.14 -8.452309406e-01 -8.452309406e-01 4.16 -8.255906437e-01 -8.255906437e-01 4.18 -8.063459473e-01 -8.063459473e-01 4.20 -7.874923869e-01 -7.874923869e-01 4.22 -7.690253161e-01 -7.690253161e-01 4.24 -7.509399268e-01 -7.509399268e-01 4.26 -7.332312678e-01 -7.332312678e-01 4.28 -7.158942623e-01 -7.158942623e-01 4.30 -6.989237244e-01 -6.989237244e-01 4.32 -6.823143742e-01 -6.823143742e-01 4.34 -6.660608519e-01 -6.660608519e-01 4.36 -6.501577313e-01 -6.501577313e-01 4.38 -6.345995320e-01 -6.345995320e-01 4.40 -6.193807308e-01 -6.193807308e-01 4.42 -6.044957722e-01 -6.044957722e-01 4.44 -5.899390786e-01 -5.899390786e-01 4.46 -5.757050592e-01 -5.757050592e-01 4.48 -5.617881185e-01 -5.617881185e-01 4.50 -5.481826640e-01 -5.481826640e-01 4.52 -5.348831139e-01 -5.348831139e-01 4.54 -5.218839030e-01 -5.218839030e-01 4.56 -5.091794896e-01 -5.091794896e-01 4.58 -4.967643606e-01 -4.967643606e-01 4.60 -4.846330369e-01 -4.846330369e-01 4.62 -4.727800780e-01 -4.727800780e-01 4.64 -4.612000864e-01 -4.612000864e-01 4.66 -4.498877116e-01 -4.498877116e-01 4.68 -4.388376536e-01 -4.388376536e-01 4.70 -4.280446658e-01 -4.280446658e-01 4.72 -4.175035587e-01 -4.175035587e-01 4.74 -4.072092016e-01 -4.072092016e-01 4.76 -3.971565256e-01 -3.971565256e-01 4.78 -3.873405253e-01 -3.873405253e-01 4.80 -3.777562609e-01 -3.777562609e-01 4.82 -3.683988596e-01 -3.683988596e-01 4.84 -3.592635171e-01 -3.592635171e-01 4.86 -3.503454987e-01 -3.503454987e-01 4.88 -3.416401405e-01 -3.416401405e-01 4.90 -3.331428500e-01 -3.331428500e-01 4.92 -3.248491070e-01 -3.248491070e-01 4.94 -3.167544640e-01 -3.167544640e-01 4.96 -3.088545465e-01 -3.088545465e-01 4.98 -3.011450536e-01 -3.011450536e-01 5.00 -2.936217579e-01 -2.936217579e-01 5.02 -2.862805054e-01 -2.862805054e-01 5.04 -2.791172159e-01 -2.791172159e-01 5.06 -2.721278825e-01 -2.721278825e-01 5.08 -2.653085712e-01 -2.653085712e-01 5.10 -2.586554211e-01 -2.586554211e-01 5.12 -2.521646437e-01 -2.521646437e-01 5.14 -2.458325221e-01 -2.458325221e-01 5.16 -2.396554114e-01 -2.396554114e-01 5.18 -2.336297372e-01 -2.336297372e-01 5.20 -2.277519953e-01 -2.277519953e-01 5.22 -2.220187512e-01 -2.220187512e-01 5.24 -2.164266393e-01 -2.164266393e-01 5.26 -2.109723621e-01 -2.109723621e-01 5.28 -2.056526891e-01 -2.056526891e-01 5.30 -2.004644568e-01 -2.004644568e-01 5.32 -1.954045669e-01 -1.954045669e-01 5.34 -1.904699862e-01 -1.904699862e-01 5.36 -1.856577451e-01 -1.856577451e-01 5.38 -1.809649375e-01 -1.809649375e-01 5.40 -1.763887188e-01 -1.763887188e-01 5.42 -1.719263059e-01 -1.719263059e-01 5.44 -1.675749758e-01 -1.675749758e-01 5.46 -1.268270597e-01 -1.268270597e-01 5.48 -1.236962086e-01 -1.236962086e-01 5.50 -1.206409479e-01 -1.206409479e-01 5.52 -1.176595389e-01 -1.176595389e-01 5.54 -1.147502786e-01 -1.147502786e-01 5.56 -1.119114989e-01 -1.119114989e-01 5.58 -1.091415662e-01 -1.091415662e-01 5.60 -1.064388810e-01 -1.064388810e-01 5.62 -1.038018773e-01 -1.038018773e-01 5.64 -1.012290221e-01 -1.012290221e-01 5.66 -9.871881493e-02 -9.871881493e-02 5.68 -9.626978730e-02 -9.626978730e-02 5.70 -9.388050223e-02 -9.388050223e-02 5.72 -9.154955368e-02 -9.154955368e-02 5.74 -8.927556605e-02 -8.927556605e-02 5.76 -8.705719369e-02 -8.705719369e-02 5.78 -8.489312034e-02 -8.489312034e-02 5.80 -8.278205865e-02 -8.278205865e-02 5.82 -8.072274964e-02 -8.072274964e-02 5.84 -7.871396220e-02 -7.871396220e-02 5.86 -7.675449258e-02 -7.675449258e-02 5.88 -7.484316387e-02 -7.484316387e-02 5.90 -7.297882552e-02 -7.297882552e-02 5.92 -7.116035284e-02 -7.116035284e-02 5.94 -6.938664648e-02 -6.938664648e-02 5.96 -6.765663197e-02 -6.765663197e-02 5.98 -6.596925920e-02 -6.596925920e-02 6.00 -6.432350200e-02 -6.432350200e-02