# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = CuPd2Pt # 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 8.458399850e+02 8.458399850e+02 0.98 7.718032906e+02 7.718032906e+02 1.00 7.049873905e+02 7.049873905e+02 1.02 6.446151971e+02 6.446151971e+02 1.04 5.900079964e+02 5.900079964e+02 1.06 5.405631735e+02 5.405631735e+02 1.08 4.957390478e+02 4.957390478e+02 1.10 4.550606335e+02 4.550606335e+02 1.12 4.181020688e+02 4.181020688e+02 1.14 3.844824117e+02 3.844824117e+02 1.16 3.538645165e+02 3.538645165e+02 1.18 3.259493003e+02 3.259493003e+02 1.20 3.004683301e+02 3.004683301e+02 1.22 2.771794924e+02 2.771794924e+02 1.24 2.558704190e+02 2.558704190e+02 1.26 2.363491369e+02 2.363491369e+02 1.28 2.184446111e+02 2.184446111e+02 1.30 2.020019837e+02 2.020019837e+02 1.32 1.868854572e+02 1.868854572e+02 1.34 1.729722051e+02 1.729722051e+02 1.36 1.601516505e+02 1.601516505e+02 1.38 1.483240662e+02 1.483240662e+02 1.40 1.374011692e+02 1.374011692e+02 1.42 1.273029327e+02 1.273029327e+02 1.44 1.179587371e+02 1.179587371e+02 1.46 1.093033622e+02 1.093033622e+02 1.48 1.012782862e+02 1.012782862e+02 1.50 9.383126831e+01 9.383126831e+01 1.52 8.691465342e+01 8.691465342e+01 1.54 8.048458087e+01 8.048458087e+01 1.56 7.450223182e+01 7.450223182e+01 1.58 6.893272708e+01 6.893272708e+01 1.60 6.374492256e+01 6.374492256e+01 1.62 5.890962880e+01 5.890962880e+01 1.64 5.440014711e+01 5.440014711e+01 1.66 5.019220289e+01 5.019220289e+01 1.68 4.626366319e+01 4.626366319e+01 1.70 4.259439688e+01 4.259439688e+01 1.72 3.916585611e+01 3.916585611e+01 1.74 3.596102292e+01 3.596102292e+01 1.76 3.296364378e+01 3.296364378e+01 1.78 3.015884565e+01 3.015884565e+01 1.80 2.753513025e+01 2.753513025e+01 1.82 2.507715839e+01 2.507715839e+01 1.84 2.277405359e+01 2.277405359e+01 1.86 2.063250825e+01 2.063250825e+01 1.88 1.862863304e+01 1.862863304e+01 1.90 1.675477331e+01 1.675477331e+01 1.92 1.500410333e+01 1.500410333e+01 1.94 1.337001825e+01 1.337001825e+01 1.96 1.184620438e+01 1.184620438e+01 1.98 1.042661452e+01 1.042661452e+01 2.00 9.105675714e+00 9.105675714e+00 2.02 7.878102013e+00 7.878102013e+00 2.04 6.738765449e+00 6.738765449e+00 2.06 5.682501426e+00 5.682501426e+00 2.08 4.704458502e+00 4.704458502e+00 2.10 3.800594938e+00 3.800594938e+00 2.12 2.966093455e+00 2.966093455e+00 2.14 2.197151538e+00 2.197151538e+00 2.16 1.489910488e+00 1.489910488e+00 2.18 8.407769626e-01 8.407769626e-01 2.20 2.462279252e-01 2.462279252e-01 2.22 -2.961410605e-01 -2.961410605e-01 2.24 -7.905958149e-01 -7.905958149e-01 2.26 -1.240232058e+00 -1.240232058e+00 2.28 -1.647944490e+00 -1.647944490e+00 2.30 -2.016540115e+00 -2.016540115e+00 2.32 -2.348744199e+00 -2.348744199e+00 2.34 -2.646835587e+00 -2.646835587e+00 2.36 -2.912860300e+00 -2.912860300e+00 2.38 -3.148875317e+00 -3.148875317e+00 2.40 -3.357388522e+00 -3.357388522e+00 2.42 -3.540361883e+00 -3.540361883e+00 2.44 -3.699409139e+00 -3.699409139e+00 2.46 -3.836408979e+00 -3.836408979e+00 2.48 -3.953167189e+00 -3.953167189e+00 2.50 -4.051283497e+00 -4.051283497e+00 2.52 -4.132105492e+00 -4.132105492e+00 2.54 -4.196993653e+00 -4.196993653e+00 2.56 -4.247220169e+00 -4.247220169e+00 2.58 -4.283960291e+00 -4.283960291e+00 2.60 -4.309125201e+00 -4.309125201e+00 2.62 -4.323208340e+00 -4.323208340e+00 2.64 -4.326555167e+00 -4.326555167e+00 2.66 -4.320553273e+00 -4.320553273e+00 2.68 -4.306198053e+00 -4.306198053e+00 2.70 -4.284046633e+00 -4.284046633e+00 2.72 -4.254839791e+00 -4.254839791e+00 2.74 -4.219267539e+00 -4.219267539e+00 2.76 -4.177977785e+00 -4.177977785e+00 2.78 -4.132598619e+00 -4.132598619e+00 2.80 -4.082925867e+00 -4.082925867e+00 2.82 -4.028661461e+00 -4.028661461e+00 2.84 -3.970791515e+00 -3.970791515e+00 2.86 -3.909749807e+00 -3.909749807e+00 2.88 -3.845739016e+00 -3.845739016e+00 2.90 -3.778801753e+00 -3.778801753e+00 2.92 -3.709872333e+00 -3.709872333e+00 2.94 -3.639262298e+00 -3.639262298e+00 2.96 -3.567272344e+00 -3.567272344e+00 2.98 -3.494175700e+00 -3.494175700e+00 3.00 -3.420216027e+00 -3.420216027e+00 3.02 -3.345569939e+00 -3.345569939e+00 3.04 -3.269481353e+00 -3.269481353e+00 3.06 -3.193304205e+00 -3.193304205e+00 3.08 -3.117156731e+00 -3.117156731e+00 3.10 -3.041181191e+00 -3.041181191e+00 3.12 -2.965522699e+00 -2.965522699e+00 3.14 -2.890309966e+00 -2.890309966e+00 3.16 -2.815659055e+00 -2.815659055e+00 3.18 -2.741674290e+00 -2.741674290e+00 3.20 -2.668449098e+00 -2.668449098e+00 3.22 -2.596066833e+00 -2.596066833e+00 3.24 -2.524594076e+00 -2.524594076e+00 3.26 -2.454997736e+00 -2.454997736e+00 3.28 -2.386711103e+00 -2.386711103e+00 3.30 -2.319446002e+00 -2.319446002e+00 3.32 -2.253249908e+00 -2.253249908e+00 3.34 -2.188163472e+00 -2.188163472e+00 3.36 -2.124220845e+00 -2.124220845e+00 3.38 -2.061461692e+00 -2.061461692e+00 3.40 -1.999895087e+00 -1.999895087e+00 3.42 -1.939516508e+00 -1.939516508e+00 3.44 -1.880314213e+00 -1.880314213e+00 3.46 -1.822249145e+00 -1.822249145e+00 3.48 -1.765363866e+00 -1.765363866e+00 3.50 -1.709739798e+00 -1.709739798e+00 3.52 -1.655400966e+00 -1.655400966e+00 3.54 -1.602336153e+00 -1.602336153e+00 3.56 -1.550519040e+00 -1.550519040e+00 3.58 -1.499892845e+00 -1.499892845e+00 3.60 -1.450416771e+00 -1.450416771e+00 3.62 -1.402122847e+00 -1.402122847e+00 3.64 -1.355048009e+00 -1.355048009e+00 3.66 -1.309139553e+00 -1.309139553e+00 3.68 -1.264309084e+00 -1.264309084e+00 3.70 -1.220517406e+00 -1.220517406e+00 3.72 -1.177821881e+00 -1.177821881e+00 3.74 -1.136279126e+00 -1.136279126e+00 3.76 -1.095918946e+00 -1.095918946e+00 3.78 -1.056711215e+00 -1.056711215e+00 3.80 -1.018626292e+00 -1.018626292e+00 3.82 -9.816390076e-01 -9.816390076e-01 3.84 -9.457150196e-01 -9.457150196e-01 3.86 -9.108229090e-01 -9.108229090e-01 3.88 -8.769476694e-01 -8.769476694e-01 3.90 -8.440776081e-01 -8.440776081e-01 3.92 -8.122013365e-01 -8.122013365e-01 3.94 -7.812813851e-01 -7.812813851e-01 3.96 -7.512215247e-01 -7.512215247e-01 3.98 -7.219950141e-01 -7.219950141e-01 4.00 -6.936477337e-01 -6.936477337e-01 4.02 -6.662123651e-01 -6.662123651e-01 4.04 -6.397100453e-01 -6.397100453e-01 4.06 -6.141522112e-01 -6.141522112e-01 4.08 -5.895452092e-01 -5.895452092e-01 4.10 -5.659481146e-01 -5.659481146e-01 4.12 -5.433645257e-01 -5.433645257e-01 4.14 -5.216138830e-01 -5.216138830e-01 4.16 -5.005300732e-01 -5.005300732e-01 4.18 -4.799871008e-01 -4.799871008e-01 4.20 -4.598916055e-01 -4.598916055e-01 4.22 -4.401765629e-01 -4.401765629e-01 4.24 -4.207959981e-01 -4.207959981e-01 4.26 -4.017203866e-01 -4.017203866e-01 4.28 -3.829008017e-01 -3.829008017e-01 4.30 -3.649818680e-01 -3.649818680e-01 4.32 -3.476209376e-01 -3.476209376e-01 4.34 -3.305008697e-01 -3.305008697e-01 4.36 -3.136386237e-01 -3.136386237e-01 4.38 -2.970953898e-01 -2.970953898e-01 4.40 -2.809449379e-01 -2.809449379e-01 4.42 -2.652439459e-01 -2.652439459e-01 4.44 -2.500344266e-01 -2.500344266e-01 4.46 -2.353461801e-01 -2.353461801e-01 4.48 -2.211988877e-01 -2.211988877e-01 4.50 -2.076038915e-01 -2.076038915e-01 4.52 -1.945657070e-01 -1.945657070e-01 4.54 -1.820833042e-01 -1.820833042e-01 4.56 -1.701511910e-01 -1.701511910e-01 4.58 -1.587624554e-01 -1.587624554e-01 4.60 -1.483494107e-01 -1.483494107e-01 4.62 -1.388583912e-01 -1.388583912e-01 4.64 -1.298150763e-01 -1.298150763e-01 4.66 -1.212046105e-01 -1.212046105e-01 4.68 -1.130115711e-01 -1.130115711e-01 4.70 -1.052201982e-01 -1.052201982e-01 4.72 -9.781458371e-02 -9.781458371e-02 4.74 -9.077882631e-02 -9.077882631e-02 4.76 -8.409715634e-02 -8.409715634e-02 4.78 -7.775403638e-02 -7.775403638e-02 4.80 -7.173424086e-02 -7.173424086e-02 4.82 -6.602291778e-02 -6.602291778e-02 4.84 -6.060563580e-02 -6.060563580e-02 4.86 -5.546841861e-02 -5.546841861e-02 4.88 -5.059776956e-02 -5.059776956e-02 4.90 -4.598068700e-02 -4.598068700e-02 4.92 -4.160441932e-02 -4.160441932e-02 4.94 -3.743365744e-02 -3.743365744e-02 4.96 -3.389627940e-02 -3.389627940e-02 4.98 -3.093310159e-02 -3.093310159e-02 5.00 -2.810951335e-02 -2.810951335e-02 5.02 -2.543521167e-02 -2.543521167e-02 5.04 -2.290266987e-02 -2.290266987e-02 5.06 -2.050460061e-02 -2.050460061e-02 5.08 -1.823406364e-02 -1.823406364e-02 5.10 -1.608445334e-02 -1.608445334e-02 5.12 -1.404948601e-02 -1.404948601e-02 5.14 -1.212318713e-02 -1.212318713e-02 5.16 -1.029987855e-02 -1.029987855e-02 5.18 -8.574165912e-03 -8.574165912e-03 5.20 -6.940926184e-03 -6.940926184e-03 5.22 -5.395295467e-03 -5.395295467e-03 5.24 -3.932657137e-03 -3.932657137e-03 5.26 -2.548630318e-03 -2.548630318e-03 5.28 -1.239861945e-03 -1.239861945e-03 5.30 -1.940510096e-15 -1.939702614e-15 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 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