# 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 = CrMnNi2 # 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 5.375495333e+02 5.375495333e+02 0.94 5.006498830e+02 5.006498830e+02 0.96 4.661438009e+02 4.661438009e+02 0.98 4.338809235e+02 4.338809235e+02 1.00 4.037201815e+02 4.037201815e+02 1.02 3.755292252e+02 3.755292252e+02 1.04 3.491838865e+02 3.491838865e+02 1.06 3.245676735e+02 3.245676735e+02 1.08 3.015712823e+02 3.015712823e+02 1.10 2.800921558e+02 2.800921558e+02 1.12 2.600340920e+02 2.600340920e+02 1.14 2.413068523e+02 2.413068523e+02 1.16 2.238257937e+02 2.238257937e+02 1.18 2.075115233e+02 2.075115233e+02 1.20 1.922895754e+02 1.922895754e+02 1.22 1.780901084e+02 1.780901084e+02 1.24 1.648476331e+02 1.648476331e+02 1.26 1.525007529e+02 1.525007529e+02 1.28 1.409918864e+02 1.409918864e+02 1.30 1.302670317e+02 1.302670317e+02 1.32 1.202755491e+02 1.202755491e+02 1.34 1.109699566e+02 1.109699566e+02 1.36 1.023057378e+02 1.023057378e+02 1.38 9.424116137e+01 9.424116137e+01 1.40 8.673711110e+01 8.673711110e+01 1.42 7.975692239e+01 7.975692239e+01 1.44 7.326621136e+01 7.326621136e+01 1.46 6.723275794e+01 6.723275794e+01 1.48 6.162638475e+01 6.162638475e+01 1.50 5.641883047e+01 5.641883047e+01 1.52 5.158363105e+01 5.158363105e+01 1.54 4.709600821e+01 4.709600821e+01 1.56 4.293276473e+01 4.293276473e+01 1.58 3.907218630e+01 3.907218630e+01 1.60 3.549394925e+01 3.549394925e+01 1.62 3.217903402e+01 3.217903402e+01 1.64 2.910965092e+01 2.910965092e+01 1.66 2.626918343e+01 2.626918343e+01 1.68 2.364208812e+01 2.364208812e+01 1.70 2.121381981e+01 2.121381981e+01 1.72 1.897077010e+01 1.897077010e+01 1.74 1.690020962e+01 1.690020962e+01 1.76 1.499023364e+01 1.499023364e+01 1.78 1.322971091e+01 1.322971091e+01 1.80 1.160823561e+01 1.160823561e+01 1.82 1.011608215e+01 1.011608215e+01 1.84 8.744162643e+00 8.744162643e+00 1.86 7.483986997e+00 7.483986997e+00 1.88 6.327624664e+00 6.327624664e+00 1.90 5.267649894e+00 5.267649894e+00 1.92 4.297111055e+00 4.297111055e+00 1.94 3.409525358e+00 3.409525358e+00 1.96 2.598849746e+00 2.598849746e+00 1.98 1.859452173e+00 1.859452173e+00 2.00 1.186084719e+00 1.186084719e+00 2.02 5.738584173e-01 5.738584173e-01 2.04 1.821967667e-02 1.821967667e-02 2.06 -4.850717797e-01 -4.850717797e-01 2.08 -9.399635707e-01 -9.399635707e-01 2.10 -1.350129992e+00 -1.350129992e+00 2.12 -1.718990107e+00 -1.718990107e+00 2.14 -2.049724680e+00 -2.049724680e+00 2.16 -2.345292016e+00 -2.345292016e+00 2.18 -2.608442721e+00 -2.608442721e+00 2.20 -2.841721895e+00 -2.841721895e+00 2.22 -3.047471686e+00 -3.047471686e+00 2.24 -3.227869497e+00 -3.227869497e+00 2.26 -3.384942145e+00 -3.384942145e+00 2.28 -3.520575598e+00 -3.520575598e+00 2.30 -3.636524094e+00 -3.636524094e+00 2.32 -3.734418709e+00 -3.734418709e+00 2.34 -3.815775386e+00 -3.815775386e+00 2.36 -3.882002472e+00 -3.882002472e+00 2.38 -3.934407777e+00 -3.934407777e+00 2.40 -3.974205200e+00 -3.974205200e+00 2.42 -4.002520937e+00 -4.002520937e+00 2.44 -4.020399296e+00 -4.020399296e+00 2.46 -4.028808156e+00 -4.028808156e+00 2.48 -4.028644069e+00 -4.028644069e+00 2.50 -4.020737049e+00 -4.020737049e+00 2.52 -4.005853356e+00 -4.005853356e+00 2.54 -3.984687502e+00 -3.984687502e+00 2.56 -3.957875624e+00 -3.957875624e+00 2.58 -3.926006977e+00 -3.926006977e+00 2.60 -3.889627090e+00 -3.889627090e+00 2.62 -3.849240654e+00 -3.849240654e+00 2.64 -3.805314235e+00 -3.805314235e+00 2.66 -3.758278817e+00 -3.758278817e+00 2.68 -3.708532180e+00 -3.708532180e+00 2.70 -3.656441131e+00 -3.656441131e+00 2.72 -3.602343595e+00 -3.602343595e+00 2.74 -3.546550567e+00 -3.546550567e+00 2.76 -3.489347947e+00 -3.489347947e+00 2.78 -3.430998248e+00 -3.430998248e+00 2.80 -3.371742202e+00 -3.371742202e+00 2.82 -3.311800254e+00 -3.311800254e+00 2.84 -3.251373965e+00 -3.251373965e+00 2.86 -3.190647318e+00 -3.190647318e+00 2.88 -3.129787939e+00 -3.129787939e+00 2.90 -3.068948237e+00 -3.068948237e+00 2.92 -3.008266464e+00 -3.008266464e+00 2.94 -2.947867712e+00 -2.947867712e+00 2.96 -2.887864825e+00 -2.887864825e+00 2.98 -2.828359269e+00 -2.828359269e+00 3.00 -2.769441918e+00 -2.769441918e+00 3.02 -2.711193806e+00 -2.711193806e+00 3.04 -2.653686808e+00 -2.653686808e+00 3.06 -2.596984279e+00 -2.596984279e+00 3.08 -2.541141646e+00 -2.541141646e+00 3.10 -2.486206951e+00 -2.486206951e+00 3.12 -2.432221359e+00 -2.432221359e+00 3.14 -2.379219618e+00 -2.379219618e+00 3.16 -2.327230491e+00 -2.327230491e+00 3.18 -2.276277151e+00 -2.276277151e+00 3.20 -2.226377540e+00 -2.226377540e+00 3.22 -2.177544706e+00 -2.177544706e+00 3.24 -2.129787107e+00 -2.129787107e+00 3.26 -2.083108896e+00 -2.083108896e+00 3.28 -2.037510176e+00 -2.037510176e+00 3.30 -1.992987249e+00 -1.992987249e+00 3.32 -1.949532831e+00 -1.949532831e+00 3.34 -1.907136268e+00 -1.907136268e+00 3.36 -1.865783734e+00 -1.865783734e+00 3.38 -1.825458418e+00 -1.825458418e+00 3.40 -1.786140714e+00 -1.786140714e+00 3.42 -1.747808402e+00 -1.747808402e+00 3.44 -1.710436835e+00 -1.710436835e+00 3.46 -1.673999130e+00 -1.673999130e+00 3.48 -1.638466368e+00 -1.638466368e+00 3.50 -1.603807809e+00 -1.603807809e+00 3.52 -1.569991119e+00 -1.569991119e+00 3.54 -1.536982621e+00 -1.536982621e+00 3.56 -1.504747569e+00 -1.504747569e+00 3.58 -1.473250439e+00 -1.473250439e+00 3.60 -1.442455259e+00 -1.442455259e+00 3.62 -1.412325945e+00 -1.412325945e+00 3.64 -1.382826680e+00 -1.382826680e+00 3.66 -1.353922289e+00 -1.353922289e+00 3.68 -1.325578643e+00 -1.325578643e+00 3.70 -1.297763050e+00 -1.297763050e+00 3.72 -1.270444641e+00 -1.270444641e+00 3.74 -1.243594736e+00 -1.243594736e+00 3.76 -1.217187162e+00 -1.217187162e+00 3.78 -1.191198531e+00 -1.191198531e+00 3.80 -1.165608443e+00 -1.165608443e+00 3.82 -1.140383423e+00 -1.140383423e+00 3.84 -1.113924028e+00 -1.113924028e+00 3.86 -1.074900099e+00 -1.074900099e+00 3.88 -9.827026276e-01 -9.827026276e-01 3.90 -8.788863853e-01 -8.788863853e-01 3.92 -8.551130957e-01 -8.551130957e-01 3.94 -8.318728079e-01 -8.318728079e-01 3.96 -8.091584977e-01 -8.091584977e-01 3.98 -7.869628878e-01 -7.869628878e-01 4.00 -7.652784818e-01 -7.652784818e-01 4.02 -7.440975947e-01 -7.440975947e-01 4.04 -7.234123821e-01 -7.234123821e-01 4.06 -7.032148664e-01 -7.032148664e-01 4.08 -6.834969610e-01 -6.834969610e-01 4.10 -6.642504931e-01 -6.642504931e-01 4.12 -6.454672240e-01 -6.454672240e-01 4.14 -6.271388680e-01 -6.271388680e-01 4.16 -6.092571102e-01 -6.092571102e-01 4.18 -5.918136220e-01 -5.918136220e-01 4.20 -5.748000762e-01 -5.748000762e-01 4.22 -5.582081598e-01 -5.582081598e-01 4.24 -5.420295864e-01 -5.420295864e-01 4.26 -5.262561076e-01 -5.262561076e-01 4.28 -5.108795224e-01 -5.108795224e-01 4.30 -4.958916868e-01 -4.958916868e-01 4.32 -4.812845218e-01 -4.812845218e-01 4.34 -4.670500211e-01 -4.670500211e-01 4.36 -4.531802573e-01 -4.531802573e-01 4.38 -4.396673884e-01 -4.396673884e-01 4.40 -4.265036625e-01 -4.265036625e-01 4.42 -4.129214612e-01 -4.129214612e-01 4.44 -3.893694044e-01 -3.893694044e-01 4.46 -3.298947011e-01 -3.298947011e-01 4.48 -1.913082496e-01 -1.913082496e-01 4.50 -2.030645773e-22 -2.032822505e-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 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