# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Dickel-D-E-Baskes-M-I-Aslam-I-Barrett-C-D--Mg-Al-Zn # implementation = 2018--Dickel-D-E--Mg-Al-Zn--LAMMPS--ipr1 # composition = Al2MgZn # 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 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 nan nan 1.10 nan nan 1.12 2.207006576e+02 2.207006576e+02 1.14 2.051970355e+02 2.051970355e+02 1.16 1.907460562e+02 1.907460562e+02 1.18 1.772984307e+02 1.772984307e+02 1.20 1.648021100e+02 1.648021100e+02 1.22 1.532037020e+02 1.532037020e+02 1.24 1.424495045e+02 1.424495045e+02 1.26 1.324282429e+02 1.324282429e+02 1.28 1.229859926e+02 1.229859926e+02 1.30 1.141247402e+02 1.141247402e+02 1.32 1.058408007e+02 1.058408007e+02 1.34 9.812140534e+01 9.812140534e+01 1.36 9.094712919e+01 9.094712919e+01 1.38 8.429382777e+01 8.429382777e+01 1.40 7.813417067e+01 7.813417067e+01 1.42 7.243884791e+01 7.243884791e+01 1.44 6.717751159e+01 6.717751159e+01 1.46 6.231950689e+01 6.231950689e+01 1.48 5.783443578e+01 5.783443578e+01 1.50 5.369259104e+01 5.369259104e+01 1.52 4.986529029e+01 4.986529029e+01 1.54 4.632513451e+01 4.632513451e+01 1.56 4.304620943e+01 4.304620943e+01 1.58 4.000424332e+01 4.000424332e+01 1.60 3.717672976e+01 3.717672976e+01 1.62 3.454301982e+01 3.454301982e+01 1.64 3.208438460e+01 3.208438460e+01 1.66 2.978404614e+01 2.978404614e+01 1.68 2.762717378e+01 2.762717378e+01 1.70 2.560084237e+01 2.560084237e+01 1.72 2.369395045e+01 2.369395045e+01 1.74 2.189709824e+01 2.189709824e+01 1.76 2.020242917e+01 2.020242917e+01 1.78 1.860344089e+01 1.860344089e+01 1.80 1.709477605e+01 1.709477605e+01 1.82 1.567200446e+01 1.567200446e+01 1.84 1.433140785e+01 1.433140785e+01 1.86 1.306977878e+01 1.306977878e+01 1.88 1.188424319e+01 1.188424319e+01 1.90 1.077211299e+01 1.077211299e+01 1.92 9.730771869e+00 9.730771869e+00 1.94 8.757594444e+00 8.757594444e+00 1.96 7.849896380e+00 7.849896380e+00 1.98 7.004908463e+00 7.004908463e+00 2.00 6.219765921e+00 6.219765921e+00 2.02 5.491519848e+00 5.491519848e+00 2.04 4.817162565e+00 4.817162565e+00 2.06 4.193658065e+00 4.193658065e+00 2.08 3.617975610e+00 3.617975610e+00 2.10 3.087122116e+00 3.087122116e+00 2.12 2.598171026e+00 2.598171026e+00 2.14 2.148286974e+00 2.148286974e+00 2.16 1.734745732e+00 1.734745732e+00 2.18 1.354949331e+00 1.354949331e+00 2.20 1.006436657e+00 1.006436657e+00 2.22 6.868899283e-01 6.868899283e-01 2.24 3.941376432e-01 3.941376432e-01 2.26 1.261524941e-01 1.261524941e-01 2.28 -1.189575744e-01 -1.189575744e-01 2.30 -3.429546363e-01 -3.429546363e-01 2.32 -5.474746913e-01 -5.474746913e-01 2.34 -7.340326641e-01 -7.340326641e-01 2.36 -9.040281702e-01 -9.040281702e-01 2.38 -1.058751767e+00 -1.058751767e+00 2.40 -1.199391450e+00 -1.199391450e+00 2.42 -1.327039214e+00 -1.327039214e+00 2.44 -1.442697554e+00 -1.442697554e+00 2.46 -1.547285789e+00 -1.547285789e+00 2.48 -1.641646154e+00 -1.641646154e+00 2.50 -1.726546108e+00 -1.726546108e+00 2.52 -1.802676764e+00 -1.802676764e+00 2.54 -1.870674670e+00 -1.870674670e+00 2.56 -1.931130202e+00 -1.931130202e+00 2.58 -1.984591085e+00 -1.984591085e+00 2.60 -2.031565665e+00 -2.031565665e+00 2.62 -2.072525939e+00 -2.072525939e+00 2.64 -2.107910353e+00 -2.107910353e+00 2.66 -2.138126388e+00 -2.138126388e+00 2.68 -2.163552925e+00 -2.163552925e+00 2.70 -2.184542439e+00 -2.184542439e+00 2.72 -2.201422993e+00 -2.201422993e+00 2.74 -2.214500082e+00 -2.214500082e+00 2.76 -2.224058319e+00 -2.224058319e+00 2.78 -2.230362984e+00 -2.230362984e+00 2.80 -2.233661443e+00 -2.233661443e+00 2.82 -2.234184451e+00 -2.234184451e+00 2.84 -2.232147351e+00 -2.232147351e+00 2.86 -2.227751538e+00 -2.227751538e+00 2.88 -2.221254745e+00 -2.221254745e+00 2.90 -2.213051248e+00 -2.213051248e+00 2.92 -2.203514412e+00 -2.203514412e+00 2.94 -2.192972490e+00 -2.192972490e+00 2.96 -2.181712747e+00 -2.181712747e+00 2.98 -2.169985311e+00 -2.169985311e+00 3.00 -2.158006705e+00 -2.158006705e+00 3.02 -2.145963091e+00 -2.145963091e+00 3.04 -2.134013246e+00 -2.134013246e+00 3.06 -2.122291286e+00 -2.122291286e+00 3.08 -2.110909169e+00 -2.110909169e+00 3.10 -2.099958984e+00 -2.099958984e+00 3.12 -2.089515044e+00 -2.089515044e+00 3.14 -2.079635802e+00 -2.079635802e+00 3.16 -2.070365602e+00 -2.070365602e+00 3.18 -2.061736277e+00 -2.061736277e+00 3.20 -2.053768607e+00 -2.053768607e+00 3.22 -2.046473646e+00 -2.046473646e+00 3.24 -2.039853932e+00 -2.039853932e+00 3.26 -2.033904586e+00 -2.033904586e+00 3.28 -2.028614309e+00 -2.028614309e+00 3.30 -2.023966292e+00 -2.023966292e+00 3.32 -2.019939026e+00 -2.019939026e+00 3.34 -2.016507052e+00 -2.016507052e+00 3.36 -2.013641626e+00 -2.013641626e+00 3.38 -2.011311319e+00 -2.011311319e+00 3.40 -2.009482561e+00 -2.009482561e+00 3.42 -2.008120123e+00 -2.008120123e+00 3.44 -2.007187554e+00 -2.007187554e+00 3.46 -2.006647565e+00 -2.006647565e+00 3.48 -2.006462375e+00 -2.006462375e+00 3.50 -2.006594009e+00 -2.006594009e+00 3.52 -2.007004576e+00 -2.007004576e+00 3.54 -2.007656495e+00 -2.007656495e+00 3.56 -2.008512706e+00 -2.008512706e+00 3.58 -2.009536843e+00 -2.009536843e+00 3.60 -2.010693394e+00 -2.010693394e+00 3.62 -2.011947826e+00 -2.011947826e+00 3.64 -2.013266719e+00 -2.013266719e+00 3.66 -2.014617933e+00 -2.014617933e+00 3.68 -2.015970285e+00 -2.015970285e+00 3.70 -2.017293977e+00 -2.017293977e+00 3.72 -2.018560825e+00 -2.018560825e+00 3.74 -2.019743901e+00 -2.019743901e+00 3.76 -2.020817692e+00 -2.020817692e+00 3.78 -2.021758118e+00 -2.021758118e+00 3.80 -2.022542534e+00 -2.022542534e+00 3.82 -2.023149728e+00 -2.023149728e+00 3.84 -2.023559908e+00 -2.023559908e+00 3.86 -2.023754690e+00 -2.023754690e+00 3.88 -2.023717072e+00 -2.023717072e+00 3.90 -2.023431410e+00 -2.023431410e+00 3.92 -2.022883389e+00 -2.022883389e+00 3.94 -2.022059986e+00 -2.022059986e+00 3.96 -2.020949439e+00 -2.020949439e+00 3.98 -2.019541205e+00 -2.019541205e+00 4.00 -2.017825919e+00 -2.017825919e+00 4.02 -2.015795356e+00 -2.015795356e+00 4.04 -2.013442383e+00 -2.013442383e+00 4.06 -2.010760921e+00 -2.010760921e+00 4.08 -2.007745894e+00 -2.007745894e+00 4.10 -2.004393191e+00 -2.004393191e+00 4.12 -2.000699616e+00 -2.000699616e+00 4.14 -1.996662848e+00 -1.996662848e+00 4.16 -1.992281393e+00 -1.992281393e+00 4.18 -1.987554544e+00 -1.987554544e+00 4.20 -1.982482333e+00 -1.982482333e+00 4.22 -1.977065495e+00 -1.977065495e+00 4.24 -1.971305425e+00 -1.971305425e+00 4.26 -1.965204133e+00 -1.965204133e+00 4.28 -1.958764211e+00 -1.958764211e+00 4.30 -1.951988793e+00 -1.951988793e+00 4.32 -1.944881516e+00 -1.944881516e+00 4.34 -1.937446488e+00 -1.937446488e+00 4.36 -1.929688251e+00 -1.929688251e+00 4.38 -1.921611747e+00 -1.921611747e+00 4.40 -1.913222292e+00 -1.913222292e+00 4.42 -1.904525537e+00 -1.904525537e+00 4.44 -1.895527449e+00 -1.895527449e+00 4.46 -1.886234272e+00 -1.886234272e+00 4.48 -1.876652510e+00 -1.876652510e+00 4.50 -1.866788896e+00 -1.866788896e+00 4.52 -1.856650373e+00 -1.856650373e+00 4.54 -1.846244064e+00 -1.846244064e+00 4.56 -1.835577257e+00 -1.835577257e+00 4.58 -1.824657383e+00 -1.824657383e+00 4.60 -1.813491995e+00 -1.813491995e+00 4.62 -1.802088750e+00 -1.802088750e+00 4.64 -1.790455396e+00 -1.790455396e+00 4.66 -1.778599749e+00 -1.778599749e+00 4.68 -1.766529685e+00 -1.766529685e+00 4.70 -1.754253120e+00 -1.754253120e+00 4.72 -1.741778000e+00 -1.741778000e+00 4.74 -1.729112289e+00 -1.729112289e+00 4.76 -1.716263955e+00 -1.716263955e+00 4.78 -1.703240961e+00 -1.703240961e+00 4.80 -1.690051254e+00 -1.690051254e+00 4.82 -1.676702756e+00 -1.676702756e+00 4.84 -1.663203354e+00 -1.663203354e+00 4.86 -1.649560894e+00 -1.649560894e+00 4.88 -1.635783172e+00 -1.635783172e+00 4.90 -1.621877926e+00 -1.621877926e+00 4.92 -1.607852831e+00 -1.607852831e+00 4.94 -1.593715492e+00 -1.593715492e+00 4.96 -1.579473439e+00 -1.579473439e+00 4.98 -1.565134120e+00 -1.565134120e+00 5.00 -1.550704897e+00 -1.550704897e+00 5.02 -1.536193042e+00 -1.536193042e+00 5.04 -1.521605730e+00 -1.521605730e+00 5.06 -1.506950040e+00 -1.506950040e+00 5.08 -1.492232946e+00 -1.492232946e+00 5.10 -1.477461315e+00 -1.477461315e+00 5.12 -1.462667053e+00 -1.462667053e+00 5.14 -1.449541144e+00 -1.449541144e+00 5.16 -1.445112527e+00 -1.445112527e+00 5.18 -1.454806575e+00 -1.454806575e+00 5.20 -1.454798878e+00 -1.454798878e+00 5.22 -1.438698014e+00 -1.438698014e+00 5.24 -1.422603502e+00 -1.422603502e+00 5.26 -1.406521774e+00 -1.406521774e+00 5.28 -1.390459073e+00 -1.390459073e+00 5.30 -1.374421460e+00 -1.374421460e+00 5.32 -1.358414807e+00 -1.358414807e+00 5.34 -1.342444801e+00 -1.342444801e+00 5.36 -1.326516946e+00 -1.326516946e+00 5.38 -1.310636561e+00 -1.310636561e+00 5.40 -1.294808784e+00 -1.294808784e+00 5.42 -1.279038569e+00 -1.279038569e+00 5.44 -1.263330695e+00 -1.263330695e+00 5.46 -1.247689759e+00 -1.247689759e+00 5.48 -1.232120185e+00 -1.232120185e+00 5.50 -1.216626221e+00 -1.216626221e+00 5.52 -1.201211945e+00 -1.201211945e+00 5.54 -1.185881263e+00 -1.185881263e+00 5.56 -1.170637917e+00 -1.170637917e+00 5.58 -1.155485482e+00 -1.155485482e+00 5.60 -1.140427371e+00 -1.140427371e+00 5.62 -1.125466837e+00 -1.125466837e+00 5.64 -1.110606979e+00 -1.110606979e+00 5.66 -1.095850738e+00 -1.095850738e+00 5.68 -1.081200907e+00 -1.081200907e+00 5.70 -1.066660129e+00 -1.066660129e+00 5.72 -1.052230902e+00 -1.052230902e+00 5.74 -1.037915583e+00 -1.037915583e+00 5.76 -1.023716388e+00 -1.023716388e+00 5.78 -1.009635397e+00 -1.009635397e+00 5.80 -9.956745587e-01 -9.956745587e-01 5.82 -9.818356908e-01 -9.818356908e-01 5.84 -9.681204842e-01 -9.681204842e-01 5.86 -9.545305066e-01 -9.545305066e-01 5.88 -9.410672052e-01 -9.410672052e-01 5.90 -9.277319101e-01 -9.277319101e-01 5.92 -9.126679330e-01 -9.126679330e-01 5.94 -8.721226380e-01 -8.721226380e-01 5.96 -7.415745410e-01 -7.415745410e-01 5.98 -4.232600546e-01 -4.232600546e-01 6.00 -3.836400138e-22 -3.842036740e-22