# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = CrFeNi2 # 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 2022-05-24 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 5.055864029e+02 5.055864029e+02 0.94 4.704595249e+02 4.704595249e+02 0.96 4.376391120e+02 4.376391120e+02 0.98 4.069784037e+02 4.069784037e+02 1.00 3.783398362e+02 3.783398362e+02 1.02 3.515944663e+02 3.515944663e+02 1.04 3.266214323e+02 3.266214323e+02 1.06 3.033074474e+02 3.033074474e+02 1.08 2.815463107e+02 2.815463107e+02 1.10 2.612384652e+02 2.612384652e+02 1.12 2.422906053e+02 2.422906053e+02 1.14 2.246152856e+02 2.246152856e+02 1.16 2.081305530e+02 2.081305530e+02 1.18 1.927596030e+02 1.927596030e+02 1.20 1.784304577e+02 1.784304577e+02 1.22 1.650756643e+02 1.650756643e+02 1.24 1.526320256e+02 1.526320256e+02 1.26 1.410403419e+02 1.410403419e+02 1.28 1.302451367e+02 1.302451367e+02 1.30 1.201944236e+02 1.201944236e+02 1.32 1.108394921e+02 1.108394921e+02 1.34 1.021347053e+02 1.021347053e+02 1.36 9.403731089e+01 9.403731089e+01 1.38 8.650726349e+01 8.650726349e+01 1.40 7.950705773e+01 7.950705773e+01 1.42 7.300156747e+01 7.300156747e+01 1.44 6.695787835e+01 6.695787835e+01 1.46 6.134517312e+01 6.134517312e+01 1.48 5.613461301e+01 5.613461301e+01 1.50 5.129921384e+01 5.129921384e+01 1.52 4.681372985e+01 4.681372985e+01 1.54 4.265454474e+01 4.265454474e+01 1.56 3.879956947e+01 3.879956947e+01 1.58 3.522814636e+01 3.522814636e+01 1.60 3.192095921e+01 3.192095921e+01 1.62 2.885994887e+01 2.885994887e+01 1.64 2.602824097e+01 2.602824097e+01 1.66 2.341009081e+01 2.341009081e+01 1.68 2.099078575e+01 2.099078575e+01 1.70 1.875657242e+01 1.875657242e+01 1.72 1.669459692e+01 1.669459692e+01 1.74 1.479284872e+01 1.479284872e+01 1.76 1.304010782e+01 1.304010782e+01 1.78 1.142589510e+01 1.142589510e+01 1.80 9.940425714e+00 9.940425714e+00 1.82 8.574565202e+00 8.574565202e+00 1.84 7.319788337e+00 7.319788337e+00 1.86 6.168140411e+00 6.168140411e+00 1.88 5.112200225e+00 5.112200225e+00 1.90 4.145026892e+00 4.145026892e+00 1.92 3.260130195e+00 3.260130195e+00 1.94 2.451465804e+00 2.451465804e+00 1.96 1.713407161e+00 1.713407161e+00 1.98 1.040717744e+00 1.040717744e+00 2.00 4.285251209e-01 4.285251209e-01 2.02 -1.277033255e-01 -1.277033255e-01 2.04 -6.321831177e-01 -6.321831177e-01 2.06 -1.088833924e+00 -1.088833924e+00 2.08 -1.501299430e+00 -1.501299430e+00 2.10 -1.872965922e+00 -1.872965922e+00 2.12 -2.206979660e+00 -2.206979660e+00 2.14 -2.506263119e+00 -2.506263119e+00 2.16 -2.773529990e+00 -2.773529990e+00 2.18 -3.011284525e+00 -3.011284525e+00 2.20 -3.221827739e+00 -3.221827739e+00 2.22 -3.407297044e+00 -3.407297044e+00 2.24 -3.569679756e+00 -3.569679756e+00 2.26 -3.710823006e+00 -3.710823006e+00 2.28 -3.832443024e+00 -3.832443024e+00 2.30 -3.936133834e+00 -3.936133834e+00 2.32 -4.023375397e+00 -4.023375397e+00 2.34 -4.095541242e+00 -4.095541242e+00 2.36 -4.153905606e+00 -4.153905606e+00 2.38 -4.199650121e+00 -4.199650121e+00 2.40 -4.233870072e+00 -4.233870072e+00 2.42 -4.257580251e+00 -4.257580251e+00 2.44 -4.271720438e+00 -4.271720438e+00 2.46 -4.277160526e+00 -4.277160526e+00 2.48 -4.274705313e+00 -4.274705313e+00 2.50 -4.265098986e+00 -4.265098986e+00 2.52 -4.249027611e+00 -4.249027611e+00 2.54 -4.227110862e+00 -4.227110862e+00 2.56 -4.199915122e+00 -4.199915122e+00 2.58 -4.167964722e+00 -4.167964722e+00 2.60 -4.131744841e+00 -4.131744841e+00 2.62 -4.091704167e+00 -4.091704167e+00 2.64 -4.048257377e+00 -4.048257377e+00 2.66 -4.001787462e+00 -4.001787462e+00 2.68 -3.952647904e+00 -3.952647904e+00 2.70 -3.901164611e+00 -3.901164611e+00 2.72 -3.847598212e+00 -3.847598212e+00 2.74 -3.792006943e+00 -3.792006943e+00 2.76 -3.734906252e+00 -3.734906252e+00 2.78 -3.676840754e+00 -3.676840754e+00 2.80 -3.617711541e+00 -3.617711541e+00 2.82 -3.557715573e+00 -3.557715573e+00 2.84 -3.497033288e+00 -3.497033288e+00 2.86 -3.435829787e+00 -3.435829787e+00 2.88 -3.374255933e+00 -3.374255933e+00 2.90 -3.312449382e+00 -3.312449382e+00 2.92 -3.250535539e+00 -3.250535539e+00 2.94 -3.188628454e+00 -3.188628454e+00 2.96 -3.126831658e+00 -3.126831658e+00 2.98 -3.065238939e+00 -3.065238939e+00 3.00 -3.003935067e+00 -3.003935067e+00 3.02 -2.942996472e+00 -2.942996472e+00 3.04 -2.882491869e+00 -2.882491869e+00 3.06 -2.822482851e+00 -2.822482851e+00 3.08 -2.763024428e+00 -2.763024428e+00 3.10 -2.704165536e+00 -2.704165536e+00 3.12 -2.645949515e+00 -2.645949515e+00 3.14 -2.588414544e+00 -2.588414544e+00 3.16 -2.531594048e+00 -2.531594048e+00 3.18 -2.475517084e+00 -2.475517084e+00 3.20 -2.420208689e+00 -2.420208689e+00 3.22 -2.365690213e+00 -2.365690213e+00 3.24 -2.311979616e+00 -2.311979616e+00 3.26 -2.259091760e+00 -2.259091760e+00 3.28 -2.207038664e+00 -2.207038664e+00 3.30 -2.155829752e+00 -2.155829752e+00 3.32 -2.105472077e+00 -2.105472077e+00 3.34 -2.055970529e+00 -2.055970529e+00 3.36 -2.007328031e+00 -2.007328031e+00 3.38 -1.959545717e+00 -1.959545717e+00 3.40 -1.912623097e+00 -1.912623097e+00 3.42 -1.866558214e+00 -1.866558214e+00 3.44 -1.821347783e+00 -1.821347783e+00 3.46 -1.776987322e+00 -1.776987322e+00 3.48 -1.733471275e+00 -1.733471275e+00 3.50 -1.690793123e+00 -1.690793123e+00 3.52 -1.648945487e+00 -1.648945487e+00 3.54 -1.607920224e+00 -1.607920224e+00 3.56 -1.567708511e+00 -1.567708511e+00 3.58 -1.528300932e+00 -1.528300932e+00 3.60 -1.489687547e+00 -1.489687547e+00 3.62 -1.451857961e+00 -1.451857961e+00 3.64 -1.414801387e+00 -1.414801387e+00 3.66 -1.378506707e+00 -1.378506707e+00 3.68 -1.342962518e+00 -1.342962518e+00 3.70 -1.308157186e+00 -1.308157186e+00 3.72 -1.274078885e+00 -1.274078885e+00 3.74 -1.240715644e+00 -1.240715644e+00 3.76 -1.208055378e+00 -1.208055378e+00 3.78 -1.176085924e+00 -1.176085924e+00 3.80 -1.144795070e+00 -1.144795070e+00 3.82 -1.114126978e+00 -1.114126978e+00 3.84 -1.080233637e+00 -1.080233637e+00 3.86 -1.024275095e+00 -1.024275095e+00 3.88 -9.159834730e-01 -9.159834730e-01 3.90 -8.159756037e-01 -8.159756037e-01 3.92 -7.927717597e-01 -7.927717597e-01 3.94 -7.700814787e-01 -7.700814787e-01 3.96 -7.478937012e-01 -7.478937012e-01 3.98 -7.261975294e-01 -7.261975294e-01 4.00 -7.049822351e-01 -7.049822351e-01 4.02 -6.842372664e-01 -6.842372664e-01 4.04 -6.639522541e-01 -6.639522541e-01 4.06 -6.441170162e-01 -6.441170162e-01 4.08 -6.247215632e-01 -6.247215632e-01 4.10 -6.057561011e-01 -6.057561011e-01 4.12 -5.872110350e-01 -5.872110350e-01 4.14 -5.690769712e-01 -5.690769712e-01 4.16 -5.513447198e-01 -5.513447198e-01 4.18 -5.340052962e-01 -5.340052962e-01 4.20 -5.170499220e-01 -5.170499220e-01 4.22 -5.004700260e-01 -5.004700260e-01 4.24 -4.842572450e-01 -4.842572450e-01 4.26 -4.684034237e-01 -4.684034237e-01 4.28 -4.529006146e-01 -4.529006146e-01 4.30 -4.377410781e-01 -4.377410781e-01 4.32 -4.229172819e-01 -4.229172819e-01 4.34 -4.084219000e-01 -4.084219000e-01 4.36 -3.942478124e-01 -3.942478124e-01 4.38 -3.803881036e-01 -3.803881036e-01 4.40 -3.668360620e-01 -3.668360620e-01 4.42 -3.529405809e-01 -3.529405809e-01 4.44 -3.307329186e-01 -3.307329186e-01 4.46 -2.789955808e-01 -2.789955808e-01 4.48 -1.620890892e-01 -1.620890892e-01 4.50 -2.115638208e-22 -2.117236755e-22 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 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