# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AgMgZr2 # 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 2024-04-11 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 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 4.150010392e+02 4.150010392e+02 1.30 3.859718568e+02 3.859718568e+02 1.32 3.590416981e+02 3.590416981e+02 1.34 3.340455558e+02 3.340455558e+02 1.36 3.108329563e+02 3.108329563e+02 1.38 2.892671610e+02 2.892671610e+02 1.40 2.692236777e+02 2.692236777e+02 1.42 2.505878955e+02 2.505878955e+02 1.44 2.332531206e+02 2.332531206e+02 1.46 2.171202269e+02 2.171202269e+02 1.48 2.020984193e+02 2.020984193e+02 1.50 1.881054782e+02 1.881054782e+02 1.52 1.750668603e+02 1.750668603e+02 1.54 1.629142612e+02 1.629142612e+02 1.56 1.515845971e+02 1.515845971e+02 1.58 1.410197127e+02 1.410197127e+02 1.60 1.311662021e+02 1.311662021e+02 1.62 1.219748805e+02 1.219748805e+02 1.64 1.134000550e+02 1.134000550e+02 1.66 1.053989528e+02 1.053989528e+02 1.68 9.793147512e+01 9.793147512e+01 1.70 9.096030331e+01 9.096030331e+01 1.72 8.445097372e+01 8.445097372e+01 1.74 7.837182580e+01 7.837182580e+01 1.76 7.269375443e+01 7.269375443e+01 1.78 6.738991571e+01 6.738991571e+01 1.80 6.243538688e+01 6.243538688e+01 1.82 5.780689673e+01 5.780689673e+01 1.84 5.348250687e+01 5.348250687e+01 1.86 4.944155706e+01 4.944155706e+01 1.88 4.566525476e+01 4.566525476e+01 1.90 4.213651660e+01 4.213651660e+01 1.92 3.883902942e+01 3.883902942e+01 1.94 3.575791238e+01 3.575791238e+01 1.96 3.288015362e+01 3.288015362e+01 1.98 3.019319743e+01 3.019319743e+01 2.00 2.768511871e+01 2.768511871e+01 2.02 2.534478544e+01 2.534478544e+01 2.04 2.316174476e+01 2.316174476e+01 2.06 2.112610306e+01 2.112610306e+01 2.08 1.922841850e+01 1.922841850e+01 2.10 1.745964664e+01 1.745964664e+01 2.12 1.581115896e+01 1.581115896e+01 2.14 1.427479853e+01 1.427479853e+01 2.16 1.284296694e+01 1.284296694e+01 2.18 1.150865685e+01 1.150865685e+01 2.20 1.026543820e+01 1.026543820e+01 2.22 9.107374865e+00 9.107374865e+00 2.24 8.028952299e+00 8.028952299e+00 2.26 7.025037305e+00 7.025037305e+00 2.28 6.090854372e+00 6.090854372e+00 2.30 5.222015959e+00 5.222015959e+00 2.32 4.414468986e+00 4.414468986e+00 2.34 3.664505701e+00 3.664505701e+00 2.36 2.968681629e+00 2.968681629e+00 2.38 2.323767284e+00 2.323767284e+00 2.40 1.726696766e+00 1.726696766e+00 2.42 1.174518506e+00 1.174518506e+00 2.44 6.643741022e-01 6.643741022e-01 2.46 1.934779244e-01 1.934779244e-01 2.48 -2.408756845e-01 -2.408756845e-01 2.50 -6.412907643e-01 -6.412907643e-01 2.52 -1.010238688e+00 -1.010238688e+00 2.54 -1.350026613e+00 -1.350026613e+00 2.56 -1.662773958e+00 -1.662773958e+00 2.58 -1.950403469e+00 -1.950403469e+00 2.60 -2.214649269e+00 -2.214649269e+00 2.62 -2.457074429e+00 -2.457074429e+00 2.64 -2.679115814e+00 -2.679115814e+00 2.66 -2.882117611e+00 -2.882117611e+00 2.68 -3.067398258e+00 -3.067398258e+00 2.70 -3.235986292e+00 -3.235986292e+00 2.72 -3.388853733e+00 -3.388853733e+00 2.74 -3.526941225e+00 -3.526941225e+00 2.76 -3.651155073e+00 -3.651155073e+00 2.78 -3.762359714e+00 -3.762359714e+00 2.80 -3.861385215e+00 -3.861385215e+00 2.82 -3.948999701e+00 -3.948999701e+00 2.84 -4.025779288e+00 -4.025779288e+00 2.86 -4.092115522e+00 -4.092115522e+00 2.88 -4.148415254e+00 -4.148415254e+00 2.90 -4.195106353e+00 -4.195106353e+00 2.92 -4.232632136e+00 -4.232632136e+00 2.94 -4.261446865e+00 -4.261446865e+00 2.96 -4.282011768e+00 -4.282011768e+00 2.98 -4.294791340e+00 -4.294791340e+00 3.00 -4.300249845e+00 -4.300249845e+00 3.02 -4.298848098e+00 -4.298848098e+00 3.04 -4.291036137e+00 -4.291036137e+00 3.06 -4.277270318e+00 -4.277270318e+00 3.08 -4.257981326e+00 -4.257981326e+00 3.10 -4.233595562e+00 -4.233595562e+00 3.12 -4.204525798e+00 -4.204525798e+00 3.14 -4.171187164e+00 -4.171187164e+00 3.16 -4.133972544e+00 -4.133972544e+00 3.18 -4.093269903e+00 -4.093269903e+00 3.20 -4.049456357e+00 -4.049456357e+00 3.22 -4.002897029e+00 -4.002897029e+00 3.24 -3.953944470e+00 -3.953944470e+00 3.26 -3.902938802e+00 -3.902938802e+00 3.28 -3.850207827e+00 -3.850207827e+00 3.30 -3.796065824e+00 -3.796065824e+00 3.32 -3.740830532e+00 -3.740830532e+00 3.34 -3.684840232e+00 -3.684840232e+00 3.36 -3.628282602e+00 -3.628282602e+00 3.38 -3.571309375e+00 -3.571309375e+00 3.40 -3.514045753e+00 -3.514045753e+00 3.42 -3.456597434e+00 -3.456597434e+00 3.44 -3.399041125e+00 -3.399041125e+00 3.46 -3.341437737e+00 -3.341437737e+00 3.48 -3.283835244e+00 -3.283835244e+00 3.50 -3.226273275e+00 -3.226273275e+00 3.52 -3.168787189e+00 -3.168787189e+00 3.54 -3.111412843e+00 -3.111412843e+00 3.56 -3.054184635e+00 -3.054184635e+00 3.58 -2.997134283e+00 -2.997134283e+00 3.60 -2.940290657e+00 -2.940290657e+00 3.62 -2.883679433e+00 -2.883679433e+00 3.64 -2.827322826e+00 -2.827322826e+00 3.66 -2.771239656e+00 -2.771239656e+00 3.68 -2.715445872e+00 -2.715445872e+00 3.70 -2.659955673e+00 -2.659955673e+00 3.72 -2.604783264e+00 -2.604783264e+00 3.74 -2.549945222e+00 -2.549945222e+00 3.76 -2.495463318e+00 -2.495463318e+00 3.78 -2.441367502e+00 -2.441367502e+00 3.80 -2.387699102e+00 -2.387699102e+00 3.82 -2.334523945e+00 -2.334523945e+00 3.84 -2.281904989e+00 -2.281904989e+00 3.86 -2.229910712e+00 -2.229910712e+00 3.88 -2.178619121e+00 -2.178619121e+00 3.90 -2.128112134e+00 -2.128112134e+00 3.92 -2.078465447e+00 -2.078465447e+00 3.94 -2.029756968e+00 -2.029756968e+00 3.96 -1.982038081e+00 -1.982038081e+00 3.98 -1.935347066e+00 -1.935347066e+00 4.00 -1.889703788e+00 -1.889703788e+00 4.02 -1.845107290e+00 -1.845107290e+00 4.04 -1.801529780e+00 -1.801529780e+00 4.06 -1.758932499e+00 -1.758932499e+00 4.08 -1.717272603e+00 -1.717272603e+00 4.10 -1.676500115e+00 -1.676500115e+00 4.12 -1.636585456e+00 -1.636585456e+00 4.14 -1.597481630e+00 -1.597481630e+00 4.16 -1.559153165e+00 -1.559153165e+00 4.18 -1.521569322e+00 -1.521569322e+00 4.20 -1.484704291e+00 -1.484704291e+00 4.22 -1.448537087e+00 -1.448537087e+00 4.24 -1.413051259e+00 -1.413051259e+00 4.26 -1.378234460e+00 -1.378234460e+00 4.28 -1.344077919e+00 -1.344077919e+00 4.30 -1.310575850e+00 -1.310575850e+00 4.32 -1.277724805e+00 -1.277724805e+00 4.34 -1.245522994e+00 -1.245522994e+00 4.36 -1.213969594e+00 -1.213969594e+00 4.38 -1.183064068e+00 -1.183064068e+00 4.40 -1.152805539e+00 -1.152805539e+00 4.42 -1.123192247e+00 -1.123192247e+00 4.44 -1.094221123e+00 -1.094221123e+00 4.46 -1.065887489e+00 -1.065887489e+00 4.48 -1.038184900e+00 -1.038184900e+00 4.50 -1.011105105e+00 -1.011105105e+00 4.52 -9.846381272e-01 -9.846381272e-01 4.54 -9.587724129e-01 -9.587724129e-01 4.56 -9.334950423e-01 -9.334950423e-01 4.58 -9.087919684e-01 -9.087919684e-01 4.60 -8.846482688e-01 -8.846482688e-01 4.62 -8.610483961e-01 -8.610483961e-01 4.64 -8.379764218e-01 -8.379764218e-01 4.66 -8.154162697e-01 -8.154162697e-01 4.68 -7.933519402e-01 -7.933519402e-01 4.70 -7.717677276e-01 -7.717677276e-01 4.72 -7.506484299e-01 -7.506484299e-01 4.74 -7.299795547e-01 -7.299795547e-01 4.76 -7.097475186e-01 -7.097475186e-01 4.78 -6.899398369e-01 -6.899398369e-01 4.80 -6.705390446e-01 -6.705390446e-01 4.82 -6.515489333e-01 -6.515489333e-01 4.84 -6.329537807e-01 -6.329537807e-01 4.86 -6.147470305e-01 -6.147470305e-01 4.88 -5.969237831e-01 -5.969237831e-01 4.90 -5.794807562e-01 -5.794807562e-01 4.92 -5.624161662e-01 -5.624161662e-01 4.94 -5.457295236e-01 -5.457295236e-01 4.96 -5.294213427e-01 -5.294213427e-01 4.98 -5.134927708e-01 -5.134927708e-01 5.00 -4.979451556e-01 -4.979451556e-01 5.02 -4.827795755e-01 -4.827795755e-01 5.04 -4.679963671e-01 -4.679963671e-01 5.06 -4.535946862e-01 -4.535946862e-01 5.08 -4.395721393e-01 -4.395721393e-01 5.10 -4.259245169e-01 -4.259245169e-01 5.12 -4.126456506e-01 -4.126456506e-01 5.14 -3.997274051e-01 -3.997274051e-01 5.16 -3.871598039e-01 -3.871598039e-01 5.18 -3.749312775e-01 -3.749312775e-01 5.20 -3.630290154e-01 -3.630290154e-01 5.22 -3.514393972e-01 -3.514393972e-01 5.24 -3.401484786e-01 -3.401484786e-01 5.26 -3.291425065e-01 -3.291425065e-01 5.28 -3.184084379e-01 -3.184084379e-01 5.30 -3.079344406e-01 -3.079344406e-01 5.32 -2.977103505e-01 -2.977103505e-01 5.34 -2.877280631e-01 -2.877280631e-01 5.36 -2.779818315e-01 -2.779818315e-01 5.38 -2.684684482e-01 -2.684684482e-01 5.40 -2.591872850e-01 -2.591872850e-01 5.42 -2.501401737e-01 -2.501401737e-01 5.44 -2.413311199e-01 -2.413311199e-01 5.46 -2.327658537e-01 -2.327658537e-01 5.48 -2.244512416e-01 -2.244512416e-01 5.50 -2.163945976e-01 -2.163945976e-01 5.52 -2.086029482e-01 -2.086029482e-01 5.54 -2.010823134e-01 -2.010823134e-01 5.56 -1.938370670e-01 -1.938370670e-01 5.58 -1.868694278e-01 -1.868694278e-01 5.60 -1.801791202e-01 -1.801791202e-01 5.62 -1.737632214e-01 -1.737632214e-01 5.64 -1.676161870e-01 -1.676161870e-01 5.66 -1.617300340e-01 -1.617300340e-01 5.68 -1.560946417e-01 -1.560946417e-01 5.70 -1.506981306e-01 -1.506981306e-01 5.72 -1.455271952e-01 -1.455271952e-01 5.74 -1.405675477e-01 -1.405675477e-01 5.76 -1.358045806e-01 -1.358045806e-01 5.78 -1.312234413e-01 -1.312234413e-01 5.80 -1.268093094e-01 -1.268093094e-01 5.82 -1.225476224e-01 -1.225476224e-01 5.84 -1.184242438e-01 -1.184242438e-01 5.86 -1.144255801e-01 -1.144255801e-01 5.88 -1.105386580e-01 -1.105386580e-01 5.90 -1.067511711e-01 -1.067511711e-01 5.92 -1.030515077e-01 -1.030515077e-01 5.94 -9.942876845e-02 -9.942876845e-02 5.96 -9.587278162e-02 -9.587278162e-02 5.98 -9.237412457e-02 -9.237412457e-02 6.00 -8.892415528e-02 -8.892415528e-02