# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Mendelev-M-I--Ni-Co-Cr # implementation = 2024--Mendelev-M-I--Ni-Co-Cr--LAMMPS--ipr1 # composition = Co2CrNi # 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 2024-11-27 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 3.428949958e+05 3.428949958e+05 1.06 2.889692027e+05 2.889692027e+05 1.08 2.389691011e+05 2.389691011e+05 1.10 1.925434274e+05 1.925434274e+05 1.12 1.528545454e+05 1.528545454e+05 1.14 1.217658510e+05 1.217658510e+05 1.16 9.732031109e+04 9.732031109e+04 1.18 7.802676389e+04 7.802676389e+04 1.20 6.274393921e+04 6.274393921e+04 1.22 5.059500074e+04 5.059500074e+04 1.24 4.090354271e+04 4.090354271e+04 1.26 3.314577586e+04 3.314577586e+04 1.28 2.691471204e+04 2.691471204e+04 1.30 2.189294972e+04 2.189294972e+04 1.32 1.783204148e+04 1.783204148e+04 1.34 1.453692989e+04 1.453692989e+04 1.36 1.185403550e+04 1.185403550e+04 1.38 9.662079934e+03 9.662079934e+03 1.40 7.864967570e+03 7.864967570e+03 1.42 6.395388849e+03 6.395388849e+03 1.44 5.207161845e+03 5.207161845e+03 1.46 4.246026232e+03 4.246026232e+03 1.48 3.467038912e+03 3.467038912e+03 1.50 2.834486751e+03 2.834486751e+03 1.52 2.319918178e+03 2.319918178e+03 1.54 1.900617785e+03 1.900617785e+03 1.56 1.558411203e+03 1.558411203e+03 1.58 1.278709528e+03 1.278709528e+03 1.60 1.049787938e+03 1.049787938e+03 1.62 8.622117142e+02 8.622117142e+02 1.64 7.083570759e+02 7.083570759e+02 1.66 5.820444210e+02 5.820444210e+02 1.68 4.782557261e+02 4.782557261e+02 1.70 3.929110150e+02 3.929110150e+02 1.72 3.226896503e+02 3.226896503e+02 1.74 2.648839466e+02 2.648839466e+02 1.76 2.172798209e+02 2.172798209e+02 1.78 1.780650801e+02 1.780650801e+02 1.80 1.457550509e+02 1.457550509e+02 1.82 1.191058238e+02 1.191058238e+02 1.84 9.709871391e+01 9.709871391e+01 1.86 7.892405354e+01 7.892405354e+01 1.88 6.392043608e+01 6.392043608e+01 1.90 5.154369853e+01 5.154369853e+01 1.92 4.134275561e+01 4.134275561e+01 1.94 3.294350994e+01 3.294350994e+01 1.96 2.603316182e+01 2.603316182e+01 1.98 2.035046512e+01 2.035046512e+01 2.00 1.567850862e+01 1.567850862e+01 2.02 1.183841353e+01 1.183841353e+01 2.04 8.683206441e+00 8.683206441e+00 2.06 6.092236763e+00 6.092236763e+00 2.08 3.966709607e+00 3.966709607e+00 2.10 2.225819778e+00 2.225819778e+00 2.12 8.032206557e-01 8.032206557e-01 2.14 -3.559979186e-01 -3.559979186e-01 2.16 -1.297589671e+00 -1.297589671e+00 2.18 -2.059799955e+00 -2.059799955e+00 2.20 -2.674670473e+00 -2.674670473e+00 2.22 -3.169012122e+00 -3.169012122e+00 2.24 -3.565105903e+00 -3.565105903e+00 2.26 -3.881219649e+00 -3.881219649e+00 2.28 -4.131955500e+00 -4.131955500e+00 2.30 -4.328605957e+00 -4.328605957e+00 2.32 -4.479562527e+00 -4.479562527e+00 2.34 -4.590688130e+00 -4.590688130e+00 2.36 -4.667845495e+00 -4.667845495e+00 2.38 -4.718637135e+00 -4.718637135e+00 2.40 -4.750436137e+00 -4.750436137e+00 2.42 -4.768034828e+00 -4.768034828e+00 2.44 -4.774309836e+00 -4.774309836e+00 2.46 -4.771364541e+00 -4.771364541e+00 2.48 -4.760660973e+00 -4.760660973e+00 2.50 -4.743040535e+00 -4.743040535e+00 2.52 -4.718484603e+00 -4.718484603e+00 2.54 -4.686502511e+00 -4.686502511e+00 2.56 -4.647370314e+00 -4.647370314e+00 2.58 -4.602047375e+00 -4.602047375e+00 2.60 -4.551829128e+00 -4.551829128e+00 2.62 -4.498124448e+00 -4.498124448e+00 2.64 -4.442296115e+00 -4.442296115e+00 2.66 -4.385538947e+00 -4.385538947e+00 2.68 -4.328825331e+00 -4.328825331e+00 2.70 -4.272890286e+00 -4.272890286e+00 2.72 -4.218239715e+00 -4.218239715e+00 2.74 -4.165173766e+00 -4.165173766e+00 2.76 -4.113820164e+00 -4.113820164e+00 2.78 -4.064198407e+00 -4.064198407e+00 2.80 -4.016285415e+00 -4.016285415e+00 2.82 -3.970028132e+00 -3.970028132e+00 2.84 -3.925333680e+00 -3.925333680e+00 2.86 -3.882059028e+00 -3.882059028e+00 2.88 -3.840011087e+00 -3.840011087e+00 2.90 -3.798944697e+00 -3.798944697e+00 2.92 -3.758559525e+00 -3.758559525e+00 2.94 -3.718453566e+00 -3.718453566e+00 2.96 -3.677958483e+00 -3.677958483e+00 2.98 -3.636239207e+00 -3.636239207e+00 3.00 -3.592496217e+00 -3.592496217e+00 3.02 -3.546088698e+00 -3.546088698e+00 3.04 -3.496560522e+00 -3.496560522e+00 3.06 -3.443774052e+00 -3.443774052e+00 3.08 -3.387990020e+00 -3.387990020e+00 3.10 -3.329738486e+00 -3.329738486e+00 3.12 -3.269692418e+00 -3.269692418e+00 3.14 -3.208560804e+00 -3.208560804e+00 3.16 -3.147017075e+00 -3.147017075e+00 3.18 -3.085650310e+00 -3.085650310e+00 3.20 -3.024889605e+00 -3.024889605e+00 3.22 -2.965017517e+00 -2.965017517e+00 3.24 -2.906199056e+00 -2.906199056e+00 3.26 -2.848507193e+00 -2.848507193e+00 3.28 -2.791945109e+00 -2.791945109e+00 3.30 -2.736465372e+00 -2.736465372e+00 3.32 -2.681987489e+00 -2.681987489e+00 3.34 -2.628422909e+00 -2.628422909e+00 3.36 -2.575692390e+00 -2.575692390e+00 3.38 -2.523729095e+00 -2.523729095e+00 3.40 -2.472479696e+00 -2.472479696e+00 3.42 -2.421904565e+00 -2.421904565e+00 3.44 -2.371977097e+00 -2.371977097e+00 3.46 -2.322682228e+00 -2.322682228e+00 3.48 -2.274014267e+00 -2.274014267e+00 3.50 -2.225974202e+00 -2.225974202e+00 3.52 -2.178566678e+00 -2.178566678e+00 3.54 -2.131796895e+00 -2.131796895e+00 3.56 -2.085667704e+00 -2.085667704e+00 3.58 -2.040177235e+00 -2.040177235e+00 3.60 -1.995317424e+00 -1.995317424e+00 3.62 -1.951073854e+00 -1.951073854e+00 3.64 -1.907427352e+00 -1.907427352e+00 3.66 -1.864357863e+00 -1.864357863e+00 3.68 -1.821851109e+00 -1.821851109e+00 3.70 -1.779905851e+00 -1.779905851e+00 3.72 -1.738529950e+00 -1.738529950e+00 3.74 -1.697735921e+00 -1.697735921e+00 3.76 -1.657540934e+00 -1.657540934e+00 3.78 -1.617966930e+00 -1.617966930e+00 3.80 -1.579040617e+00 -1.579040617e+00 3.82 -1.540793327e+00 -1.540793327e+00 3.84 -1.503260704e+00 -1.503260704e+00 3.86 -1.466482209e+00 -1.466482209e+00 3.88 -1.430500403e+00 -1.430500403e+00 3.90 -1.395359982e+00 -1.395359982e+00 3.92 -1.361106539e+00 -1.361106539e+00 3.94 -1.327785016e+00 -1.327785016e+00 3.96 -1.295437810e+00 -1.295437810e+00 3.98 -1.264102503e+00 -1.264102503e+00 4.00 -1.233809182e+00 -1.233809182e+00 4.02 -1.204577301e+00 -1.204577301e+00 4.04 -1.176412059e+00 -1.176412059e+00 4.06 -1.149300233e+00 -1.149300233e+00 4.08 -1.123205455e+00 -1.123205455e+00 4.10 -1.098062848e+00 -1.098062848e+00 4.12 -1.073773020e+00 -1.073773020e+00 4.14 -1.050195332e+00 -1.050195332e+00 4.16 -1.027140411e+00 -1.027140411e+00 4.18 -1.004373779e+00 -1.004373779e+00 4.20 -9.816902261e-01 -9.816902261e-01 4.22 -9.589583862e-01 -9.589583862e-01 4.24 -9.361074704e-01 -9.361074704e-01 4.26 -9.131128785e-01 -9.131128785e-01 4.28 -8.899840099e-01 -8.899840099e-01 4.30 -8.667540843e-01 -8.667540843e-01 4.32 -8.434717842e-01 -8.434717842e-01 4.34 -8.201944958e-01 -8.201944958e-01 4.36 -7.969830297e-01 -7.969830297e-01 4.38 -7.738976224e-01 -7.738976224e-01 4.40 -7.509949609e-01 -7.509949609e-01 4.42 -7.283262310e-01 -7.283262310e-01 4.44 -7.059360521e-01 -7.059360521e-01 4.46 -6.838618757e-01 -6.838618757e-01 4.48 -6.621339371e-01 -6.621339371e-01 4.50 -6.407760045e-01 -6.407760045e-01 4.52 -6.198054805e-01 -6.198054805e-01 4.54 -5.992350511e-01 -5.992350511e-01 4.56 -5.790725810e-01 -5.790725810e-01 4.58 -5.593233117e-01 -5.593233117e-01 4.60 -5.399888953e-01 -5.399888953e-01 4.62 -5.210699597e-01 -5.210699597e-01 4.64 -5.025638836e-01 -5.025638836e-01 4.66 -4.844671415e-01 -4.844671415e-01 4.68 -4.667737622e-01 -4.667737622e-01 4.70 -4.494719277e-01 -4.494719277e-01 4.72 -4.325472855e-01 -4.325472855e-01 4.74 -4.159789980e-01 -4.159789980e-01 4.76 -3.997291364e-01 -3.997291364e-01 4.78 -3.837539212e-01 -3.837539212e-01 4.80 -3.679925393e-01 -3.679925393e-01 4.82 -3.523632600e-01 -3.523632600e-01 4.84 -3.367319395e-01 -3.367319395e-01 4.86 -3.211078380e-01 -3.211078380e-01 4.88 -3.055434427e-01 -3.055434427e-01 4.90 -2.900891115e-01 -2.900891115e-01 4.92 -2.748199458e-01 -2.748199458e-01 4.94 -2.598643892e-01 -2.598643892e-01 4.96 -2.451255213e-01 -2.451255213e-01 4.98 -2.305227290e-01 -2.305227290e-01 5.00 -2.162059205e-01 -2.162059205e-01 5.02 -2.023084564e-01 -2.023084564e-01 5.04 -1.888825584e-01 -1.888825584e-01 5.06 -1.761159784e-01 -1.761159784e-01 5.08 -1.638945488e-01 -1.638945488e-01 5.10 -1.519987337e-01 -1.519987337e-01 5.12 -1.403654949e-01 -1.403654949e-01 5.14 -1.289954778e-01 -1.289954778e-01 5.16 -1.177010661e-01 -1.177010661e-01 5.18 -1.063781712e-01 -1.063781712e-01 5.20 -9.498558327e-02 -9.498558327e-02 5.22 -8.363851410e-02 -8.363851410e-02 5.24 -7.256186911e-02 -7.256186911e-02 5.26 -6.192010356e-02 -6.192010356e-02 5.28 -5.187695167e-02 -5.187695167e-02 5.30 -4.261181864e-02 -4.261181864e-02 5.32 -3.423148686e-02 -3.423148686e-02 5.34 -2.678540525e-02 -2.678540525e-02 5.36 -2.028041994e-02 -2.028041994e-02 5.38 -1.469240992e-02 -1.469240992e-02 5.40 -9.975417391e-03 -9.975417391e-03 5.42 -6.068761979e-03 -6.068761979e-03 5.44 -2.902541679e-03 -2.902541679e-03 5.46 -4.018505177e-04 -4.018505177e-04 5.48 1.510018559e-03 1.510018559e-03 5.50 2.909168733e-03 2.909168733e-03 5.52 3.869318529e-03 3.869318529e-03 5.54 4.460507155e-03 4.460507155e-03 5.56 4.748177285e-03 4.748177285e-03 5.58 4.792550656e-03 4.792550656e-03 5.60 4.648231218e-03 4.648231218e-03 5.62 4.363986188e-03 4.363986188e-03 5.64 3.982667586e-03 3.982667586e-03 5.66 3.541246510e-03 3.541246510e-03 5.68 3.070939642e-03 3.070939642e-03 5.70 2.597413060e-03 2.597413060e-03 5.72 2.141052339e-03 2.141052339e-03 5.74 1.717290710e-03 1.717290710e-03 5.76 1.336988838e-03 1.336988838e-03 5.78 1.006860775e-03 1.006860775e-03 5.80 7.299410730e-04 7.299410730e-04 5.82 5.060880036e-04 5.060880036e-04 5.84 3.325174392e-04 3.325174392e-04 5.86 2.043613228e-04 2.043613228e-04 5.88 1.152438406e-04 1.152438406e-04 5.90 5.786747785e-05 5.786747785e-05 5.92 2.460012839e-05 2.460012839e-05 5.94 8.053373436e-06 8.053373436e-06 5.96 1.640967288e-06 1.640967288e-06 5.98 1.054840543e-07 1.054840543e-07 6.00 4.352491193e-14 4.057952626e-14