# 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 = AgAuTa2 # 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 3.932807955e+02 3.932807955e+02 1.30 3.652632275e+02 3.652632275e+02 1.32 3.393144171e+02 3.393144171e+02 1.34 3.152694174e+02 3.152694174e+02 1.36 2.929730528e+02 2.929730528e+02 1.38 2.722812033e+02 2.722812033e+02 1.40 2.530620246e+02 2.530620246e+02 1.42 2.351963047e+02 2.351963047e+02 1.44 2.185769865e+02 2.185769865e+02 1.46 2.031081584e+02 2.031081584e+02 1.48 1.887037918e+02 1.887037918e+02 1.50 1.752864094e+02 1.752864094e+02 1.52 1.627857236e+02 1.627857236e+02 1.54 1.511372350e+02 1.511372350e+02 1.56 1.402809646e+02 1.402809646e+02 1.58 1.301606326e+02 1.301606326e+02 1.60 1.207234042e+02 1.207234042e+02 1.62 1.119199859e+02 1.119199859e+02 1.64 1.037047443e+02 1.037047443e+02 1.66 9.603565978e+01 9.603565978e+01 1.68 8.887411283e+01 8.887411283e+01 1.70 8.218458226e+01 8.218458226e+01 1.72 7.593431665e+01 7.593431665e+01 1.74 7.009300479e+01 7.009300479e+01 1.76 6.463245833e+01 6.463245833e+01 1.78 5.952632782e+01 5.952632782e+01 1.80 5.474988621e+01 5.474988621e+01 1.82 5.027991431e+01 5.027991431e+01 1.84 4.609469705e+01 4.609469705e+01 1.86 4.217701303e+01 4.217701303e+01 1.88 3.851525967e+01 3.851525967e+01 1.90 3.509242731e+01 3.509242731e+01 1.92 3.190053316e+01 3.190053316e+01 1.94 2.893213012e+01 2.893213012e+01 1.96 2.617457282e+01 2.617457282e+01 1.98 2.361569480e+01 2.361569480e+01 2.00 2.124399422e+01 2.124399422e+01 2.02 1.904830239e+01 1.904830239e+01 2.04 1.701758784e+01 1.701758784e+01 2.06 1.514092307e+01 1.514092307e+01 2.08 1.340758482e+01 1.340758482e+01 2.10 1.180722202e+01 1.180722202e+01 2.12 1.033002339e+01 1.033002339e+01 2.14 8.966838623e+00 8.966838623e+00 2.16 7.709236456e+00 7.709236456e+00 2.18 6.549504513e+00 6.549504513e+00 2.20 5.480606026e+00 5.480606026e+00 2.22 4.496109258e+00 4.496109258e+00 2.24 3.590102206e+00 3.590102206e+00 2.26 2.757102082e+00 2.757102082e+00 2.28 1.991968082e+00 1.991968082e+00 2.30 1.289826778e+00 1.289826778e+00 2.32 6.460197146e-01 6.460197146e-01 2.34 5.608056752e-02 5.608056752e-02 2.36 -4.842564360e-01 -4.842564360e-01 2.38 -9.790228863e-01 -9.790228863e-01 2.40 -1.431970465e+00 -1.431970465e+00 2.42 -1.846529330e+00 -1.846529330e+00 2.44 -2.225784425e+00 -2.225784425e+00 2.46 -2.572476862e+00 -2.572476862e+00 2.48 -2.889029630e+00 -2.889029630e+00 2.50 -3.177591044e+00 -3.177591044e+00 2.52 -3.440086326e+00 -3.440086326e+00 2.54 -3.678088272e+00 -3.678088272e+00 2.56 -3.893268837e+00 -3.893268837e+00 2.58 -4.087399655e+00 -4.087399655e+00 2.60 -4.262128926e+00 -4.262128926e+00 2.62 -4.418994863e+00 -4.418994863e+00 2.64 -4.559424186e+00 -4.559424186e+00 2.66 -4.684722659e+00 -4.684722659e+00 2.68 -4.796055823e+00 -4.796055823e+00 2.70 -4.894199768e+00 -4.894199768e+00 2.72 -4.979607280e+00 -4.979607280e+00 2.74 -5.052728684e+00 -5.052728684e+00 2.76 -5.114016618e+00 -5.114016618e+00 2.78 -5.163919866e+00 -5.163919866e+00 2.80 -5.202880733e+00 -5.202880733e+00 2.82 -5.231334360e+00 -5.231334360e+00 2.84 -5.249709161e+00 -5.249709161e+00 2.86 -5.258427912e+00 -5.258427912e+00 2.88 -5.257909161e+00 -5.257909161e+00 2.90 -5.248568605e+00 -5.248568605e+00 2.92 -5.230820099e+00 -5.230820099e+00 2.94 -5.205076005e+00 -5.205076005e+00 2.96 -5.171746719e+00 -5.171746719e+00 2.98 -5.131239383e+00 -5.131239383e+00 3.00 -5.083964007e+00 -5.083964007e+00 3.02 -5.030375766e+00 -5.030375766e+00 3.04 -4.970817896e+00 -4.970817896e+00 3.06 -4.905606253e+00 -4.905606253e+00 3.08 -4.835053000e+00 -4.835053000e+00 3.10 -4.759464649e+00 -4.759464649e+00 3.12 -4.679142682e+00 -4.679142682e+00 3.14 -4.594387506e+00 -4.594387506e+00 3.16 -4.505505921e+00 -4.505505921e+00 3.18 -4.412821399e+00 -4.412821399e+00 3.20 -4.316689766e+00 -4.316689766e+00 3.22 -4.217580013e+00 -4.217580013e+00 3.24 -4.115884931e+00 -4.115884931e+00 3.26 -4.012022157e+00 -4.012022157e+00 3.28 -3.906474368e+00 -3.906474368e+00 3.30 -3.799776088e+00 -3.799776088e+00 3.32 -3.692493708e+00 -3.692493708e+00 3.34 -3.585200240e+00 -3.585200240e+00 3.36 -3.478447322e+00 -3.478447322e+00 3.38 -3.372738000e+00 -3.372738000e+00 3.40 -3.268507356e+00 -3.268507356e+00 3.42 -3.166102308e+00 -3.166102308e+00 3.44 -3.065767150e+00 -3.065767150e+00 3.46 -2.967641216e+00 -2.967641216e+00 3.48 -2.871763882e+00 -2.871763882e+00 3.50 -2.778085384e+00 -2.778085384e+00 3.52 -2.686481650e+00 -2.686481650e+00 3.54 -2.596771369e+00 -2.596771369e+00 3.56 -2.508733800e+00 -2.508733800e+00 3.58 -2.422126240e+00 -2.422126240e+00 3.60 -2.336700494e+00 -2.336700494e+00 3.62 -2.252218050e+00 -2.252218050e+00 3.64 -2.168463823e+00 -2.168463823e+00 3.66 -2.085258475e+00 -2.085258475e+00 3.68 -2.002469214e+00 -2.002469214e+00 3.70 -1.920018872e+00 -1.920018872e+00 3.72 -1.837892894e+00 -1.837892894e+00 3.74 -1.756143720e+00 -1.756143720e+00 3.76 -1.674891971e+00 -1.674891971e+00 3.78 -1.594323900e+00 -1.594323900e+00 3.80 -1.514684771e+00 -1.514684771e+00 3.82 -1.436268167e+00 -1.436268167e+00 3.84 -1.359401668e+00 -1.359401668e+00 3.86 -1.284429831e+00 -1.284429831e+00 3.88 -1.211695765e+00 -1.211695765e+00 3.90 -1.141522890e+00 -1.141522890e+00 3.92 -1.074198425e+00 -1.074198425e+00 3.94 -1.009959991e+00 -1.009959991e+00 3.96 -9.489862756e-01 -9.489862756e-01 3.98 -8.913921893e-01 -8.913921893e-01 4.00 -8.372284426e-01 -8.372284426e-01 4.02 -7.864849974e-01 -7.864849974e-01 4.04 -7.390975614e-01 -7.390975614e-01 4.06 -6.949561443e-01 -6.949561443e-01 4.08 -6.539146978e-01 -6.539146978e-01 4.10 -6.158009796e-01 -6.158009796e-01 4.12 -5.804259778e-01 -5.804259778e-01 4.14 -5.475923784e-01 -5.475923784e-01 4.16 -5.171018451e-01 -5.171018451e-01 4.18 -4.887609362e-01 -4.887609362e-01 4.20 -4.623856565e-01 -4.623856565e-01 4.22 -4.378047002e-01 -4.378047002e-01 4.24 -4.148614807e-01 -4.148614807e-01 4.26 -3.934150748e-01 -3.934150748e-01 4.28 -3.733402171e-01 -3.733402171e-01 4.30 -3.545265021e-01 -3.545265021e-01 4.32 -3.368769644e-01 -3.368769644e-01 4.34 -3.203062295e-01 -3.203062295e-01 4.36 -3.047384381e-01 -3.047384381e-01 4.38 -2.901051481e-01 -2.901051481e-01 4.40 -2.763433954e-01 -2.763433954e-01 4.42 -2.633940584e-01 -2.633940584e-01 4.44 -2.512006126e-01 -2.512006126e-01 4.46 -2.397083026e-01 -2.397083026e-01 4.48 -2.288637025e-01 -2.288637025e-01 4.50 -2.186145976e-01 -2.186145976e-01 4.52 -2.089101001e-01 -2.089101001e-01 4.54 -1.997008938e-01 -1.997008938e-01 4.56 -1.909390992e-01 -1.909390992e-01 4.58 -1.825795960e-01 -1.825795960e-01 4.60 -1.745799879e-01 -1.745799879e-01 4.62 -1.669003473e-01 -1.669003473e-01 4.64 -1.595034596e-01 -1.595034596e-01 4.66 -1.523549875e-01 -1.523549875e-01 4.68 -1.454235865e-01 -1.454235865e-01 4.70 -1.386809984e-01 -1.386809984e-01 4.72 -1.321021461e-01 -1.321021461e-01 4.74 -1.256652461e-01 -1.256652461e-01 4.76 -1.193519472e-01 -1.193519472e-01 4.78 -1.131474956e-01 -1.131474956e-01 4.80 -1.070409147e-01 -1.070409147e-01 4.82 -1.010251888e-01 -1.010251888e-01 4.84 -9.509740524e-02 -9.509740524e-02 4.86 -8.925884368e-02 -8.925884368e-02 4.88 -8.351495726e-02 -8.351495726e-02 4.90 -7.787521367e-02 -7.787521367e-02 4.92 -7.235276356e-02 -7.235276356e-02 4.94 -6.696391633e-02 -6.696391633e-02 4.96 -6.172742174e-02 -6.172742174e-02 4.98 -5.666357806e-02 -5.666357806e-02 5.00 -5.179321146e-02 -5.179321146e-02 5.02 -4.713659228e-02 -4.713659228e-02 5.04 -4.271235727e-02 -4.271235727e-02 5.06 -3.853654280e-02 -3.853654280e-02 5.08 -3.462178700e-02 -3.462178700e-02 5.10 -3.097676283e-02 -3.097676283e-02 5.12 -2.760588171e-02 -2.760588171e-02 5.14 -2.450924596e-02 -2.450924596e-02 5.16 -2.168285550e-02 -2.168285550e-02 5.18 -1.911901821e-02 -1.911901821e-02 5.20 -1.680682255e-02 -1.680682255e-02 5.22 -1.473259585e-02 -1.473259585e-02 5.24 -1.288141537e-02 -1.288141537e-02 5.26 -1.123714117e-02 -1.123714117e-02 5.28 -9.782941316e-03 -9.782941316e-03 5.30 -8.501834724e-03 -8.501834724e-03 5.32 -7.377132497e-03 -7.377132497e-03 5.34 -6.392777750e-03 -6.392777750e-03 5.36 -5.533590657e-03 -5.533590657e-03 5.38 -4.785430035e-03 -4.785430035e-03 5.40 -4.135284891e-03 -4.135284891e-03 5.42 -3.571309767e-03 -3.571309767e-03 5.44 -3.082816986e-03 -3.082816986e-03 5.46 -2.660237445e-03 -2.660237445e-03 5.48 -2.295059846e-03 -2.295059846e-03 5.50 -1.979756388e-03 -1.979756388e-03 5.52 -1.707701238e-03 -1.707701238e-03 5.54 -1.473086515e-03 -1.473086515e-03 5.56 -1.270839245e-03 -1.270839245e-03 5.58 -1.096541650e-03 -1.096541650e-03 5.60 -9.463563087e-04 -9.463563087e-04 5.62 -8.169570646e-04 -8.169570646e-04 5.64 -7.054661032e-04 -7.054661032e-04 5.66 -6.093972502e-04 -6.093972502e-04 5.68 -5.266053303e-04 -5.266053303e-04 5.70 -4.552412600e-04 -4.552412600e-04 5.72 -3.937124662e-04 -3.937124662e-04 5.74 -3.406481697e-04 -3.406481697e-04 5.76 -2.948690622e-04 -2.948690622e-04 5.78 -2.553609135e-04 -2.553609135e-04 5.80 -2.212516646e-04 -2.212516646e-04 5.82 -1.917915956e-04 -1.917915956e-04 5.84 -1.663361886e-04 -1.663361886e-04 5.86 -1.443313454e-04 -1.443313454e-04 5.88 -1.253006524e-04 -1.253006524e-04 5.90 -1.088344231e-04 -1.088344231e-04 5.92 -9.458027645e-05 -9.458027645e-05 5.94 -8.223504317e-05 -8.223504317e-05 5.96 -7.153781570e-05 -7.153781570e-05 5.98 -6.226398293e-05 -6.226398293e-05 6.00 -5.422011149e-05 -5.422011149e-05