# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Al # implementation = 2025--Sharifi-H--Cr-Ni-Al--LAMMPS--ipr1 # composition = Al2CrNi # 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 2025-07-01 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 3.179584595e+02 3.179584595e+02 1.00 2.915090089e+02 2.915090089e+02 1.02 2.674271242e+02 2.674271242e+02 1.04 2.456569658e+02 2.456569658e+02 1.06 2.259185739e+02 2.259185739e+02 1.08 2.079656992e+02 2.079656992e+02 1.10 1.915912090e+02 1.915912090e+02 1.12 1.766200543e+02 1.766200543e+02 1.14 1.629034424e+02 1.629034424e+02 1.16 1.503140449e+02 1.503140449e+02 1.18 1.387420882e+02 1.387420882e+02 1.20 1.280921860e+02 1.280921860e+02 1.22 1.182807855e+02 1.182807855e+02 1.24 1.092341216e+02 1.092341216e+02 1.26 1.008865826e+02 1.008865826e+02 1.28 9.317940884e+01 9.317940884e+01 1.30 8.605965932e+01 8.605965932e+01 1.32 7.947938821e+01 7.947938821e+01 1.34 7.339498791e+01 7.339498791e+01 1.36 6.776666242e+01 6.776666242e+01 1.38 6.255799991e+01 6.255799991e+01 1.40 5.773562354e+01 5.773562354e+01 1.42 5.326890111e+01 5.326890111e+01 1.44 4.912969926e+01 4.912969926e+01 1.46 4.529217171e+01 4.529217171e+01 1.48 4.173257434e+01 4.173257434e+01 1.50 3.842910194e+01 3.842910194e+01 1.52 3.536173965e+01 3.536173965e+01 1.54 3.251212663e+01 3.251212663e+01 1.56 2.986343038e+01 2.986343038e+01 1.58 2.740023004e+01 2.740023004e+01 1.60 2.510840736e+01 2.510840736e+01 1.62 2.297504499e+01 2.297504499e+01 1.64 2.098833132e+01 2.098833132e+01 1.66 1.913747158e+01 1.913747158e+01 1.68 1.741260487e+01 1.741260487e+01 1.70 1.580472696e+01 1.580472696e+01 1.72 1.430561750e+01 1.430561750e+01 1.74 1.290775280e+01 1.290775280e+01 1.76 1.160421142e+01 1.160421142e+01 1.78 1.038861555e+01 1.038861555e+01 1.80 9.255076666e+00 9.255076666e+00 1.82 8.198159035e+00 8.198159035e+00 1.84 7.212844902e+00 7.212844902e+00 1.86 6.294500223e+00 6.294500223e+00 1.88 5.438843837e+00 5.438843837e+00 1.90 4.641919662e+00 4.641919662e+00 1.92 3.900071509e+00 3.900071509e+00 1.94 3.209918051e+00 3.209918051e+00 1.96 2.568311234e+00 2.568311234e+00 1.98 1.972298401e+00 1.972298401e+00 2.00 1.419107078e+00 1.419107078e+00 2.02 9.061339267e-01 9.061339267e-01 2.04 4.309334174e-01 4.309334174e-01 2.06 -8.788493949e-03 -8.788493949e-03 2.08 -4.153358019e-01 -4.153358019e-01 2.10 -7.910830857e-01 -7.910830857e-01 2.12 -1.138215776e+00 -1.138215776e+00 2.14 -1.458726062e+00 -1.458726062e+00 2.16 -1.754433509e+00 -1.754433509e+00 2.18 -2.027003372e+00 -2.027003372e+00 2.20 -2.277962835e+00 -2.277962835e+00 2.22 -2.508715415e+00 -2.508715415e+00 2.24 -2.720553735e+00 -2.720553735e+00 2.26 -2.914670854e+00 -2.914670854e+00 2.28 -3.092170306e+00 -3.092170306e+00 2.30 -3.254075008e+00 -3.254075008e+00 2.32 -3.401335160e+00 -3.401335160e+00 2.34 -3.534835242e+00 -3.534835242e+00 2.36 -3.655400228e+00 -3.655400228e+00 2.38 -3.763801101e+00 -3.763801101e+00 2.40 -3.860759736e+00 -3.860759736e+00 2.42 -3.946953252e+00 -3.946953252e+00 2.44 -4.023017861e+00 -4.023017861e+00 2.46 -4.089552306e+00 -4.089552306e+00 2.48 -4.147123932e+00 -4.147123932e+00 2.50 -4.196308093e+00 -4.196308093e+00 2.52 -4.237695159e+00 -4.237695159e+00 2.54 -4.271841103e+00 -4.271841103e+00 2.56 -4.299261383e+00 -4.299261383e+00 2.58 -4.320434443e+00 -4.320434443e+00 2.60 -4.335804872e+00 -4.335804872e+00 2.62 -4.345786313e+00 -4.345786313e+00 2.64 -4.350765302e+00 -4.350765302e+00 2.66 -4.351103255e+00 -4.351103255e+00 2.68 -4.347137213e+00 -4.347137213e+00 2.70 -4.339181726e+00 -4.339181726e+00 2.72 -4.327530607e+00 -4.327530607e+00 2.74 -4.312458528e+00 -4.312458528e+00 2.76 -4.294222462e+00 -4.294222462e+00 2.78 -4.273062995e+00 -4.273062995e+00 2.80 -4.249205522e+00 -4.249205522e+00 2.82 -4.222861330e+00 -4.222861330e+00 2.84 -4.194228588e+00 -4.194228588e+00 2.86 -4.163493256e+00 -4.163493256e+00 2.88 -4.130829905e+00 -4.130829905e+00 2.90 -4.096402475e+00 -4.096402475e+00 2.92 -4.060364972e+00 -4.060364972e+00 2.94 -4.022862096e+00 -4.022862096e+00 2.96 -3.984029836e+00 -3.984029836e+00 2.98 -3.943996000e+00 -3.943996000e+00 3.00 -3.902880718e+00 -3.902880718e+00 3.02 -3.860796897e+00 -3.860796897e+00 3.04 -3.817850652e+00 -3.817850652e+00 3.06 -3.774141693e+00 -3.774141693e+00 3.08 -3.729763696e+00 -3.729763696e+00 3.10 -3.684804644e+00 -3.684804644e+00 3.12 -3.639347141e+00 -3.639347141e+00 3.14 -3.593468710e+00 -3.593468710e+00 3.16 -3.547242073e+00 -3.547242073e+00 3.18 -3.500735405e+00 -3.500735405e+00 3.20 -3.454012584e+00 -3.454012584e+00 3.22 -3.407133411e+00 -3.407133411e+00 3.24 -3.360153835e+00 -3.360153835e+00 3.26 -3.313126147e+00 -3.313126147e+00 3.28 -3.266099177e+00 -3.266099177e+00 3.30 -3.219118471e+00 -3.219118471e+00 3.32 -3.172226465e+00 -3.172226465e+00 3.34 -3.125462641e+00 -3.125462641e+00 3.36 -3.078863686e+00 -3.078863686e+00 3.38 -3.032463636e+00 -3.032463636e+00 3.40 -2.986294011e+00 -2.986294011e+00 3.42 -2.940383948e+00 -2.940383948e+00 3.44 -2.894760328e+00 -2.894760328e+00 3.46 -2.849447891e+00 -2.849447891e+00 3.48 -2.804469352e+00 -2.804469352e+00 3.50 -2.759845507e+00 -2.759845507e+00 3.52 -2.715595340e+00 -2.715595340e+00 3.54 -2.671736114e+00 -2.671736114e+00 3.56 -2.628283475e+00 -2.628283475e+00 3.58 -2.585251533e+00 -2.585251533e+00 3.60 -2.542652954e+00 -2.542652954e+00 3.62 -2.500499038e+00 -2.500499038e+00 3.64 -2.458799802e+00 -2.458799802e+00 3.66 -2.417564053e+00 -2.417564053e+00 3.68 -2.376799459e+00 -2.376799459e+00 3.70 -2.336512622e+00 -2.336512622e+00 3.72 -2.296709143e+00 -2.296709143e+00 3.74 -2.257393682e+00 -2.257393682e+00 3.76 -2.218570024e+00 -2.218570024e+00 3.78 -2.180241137e+00 -2.180241137e+00 3.80 -2.142409222e+00 -2.142409222e+00 3.82 -2.105075775e+00 -2.105075775e+00 3.84 -2.068241630e+00 -2.068241630e+00 3.86 -2.031907015e+00 -2.031907015e+00 3.88 -1.996071593e+00 -1.996071593e+00 3.90 -1.960734510e+00 -1.960734510e+00 3.92 -1.925894437e+00 -1.925894437e+00 3.94 -1.891549609e+00 -1.891549609e+00 3.96 -1.857697865e+00 -1.857697865e+00 3.98 -1.824336683e+00 -1.824336683e+00 4.00 -1.791463216e+00 -1.791463216e+00 4.02 -1.759074325e+00 -1.759074325e+00 4.04 -1.727166608e+00 -1.727166608e+00 4.06 -1.695736427e+00 -1.695736427e+00 4.08 -1.664779942e+00 -1.664779942e+00 4.10 -1.634293131e+00 -1.634293131e+00 4.12 -1.604271812e+00 -1.604271812e+00 4.14 -1.574711673e+00 -1.574711673e+00 4.16 -1.545608282e+00 -1.545608282e+00 4.18 -1.516957115e+00 -1.516957115e+00 4.20 -1.488753566e+00 -1.488753566e+00 4.22 -1.460992967e+00 -1.460992967e+00 4.24 -1.433670602e+00 -1.433670602e+00 4.26 -1.406124289e+00 -1.406124289e+00 4.28 -1.364783172e+00 -1.364783172e+00 4.30 -1.262415291e+00 -1.262415291e+00 4.32 -1.006738727e+00 -1.006738727e+00 4.34 -8.913170819e-01 -8.913170819e-01 4.36 -8.704003794e-01 -8.704003794e-01 4.38 -8.498918393e-01 -8.498918393e-01 4.40 -8.297864171e-01 -8.297864171e-01 4.42 -8.100789936e-01 -8.100789936e-01 4.44 -7.907643846e-01 -7.907643846e-01 4.46 -7.718373496e-01 -7.718373496e-01 4.48 -7.532926007e-01 -7.532926007e-01 4.50 -7.351248105e-01 -7.351248105e-01 4.52 -7.173286193e-01 -7.173286193e-01 4.54 -6.998986423e-01 -6.998986423e-01 4.56 -6.828294766e-01 -6.828294766e-01 4.58 -6.661157067e-01 -6.661157067e-01 4.60 -6.497519110e-01 -6.497519110e-01 4.62 -6.337326669e-01 -6.337326669e-01 4.64 -6.180525560e-01 -6.180525560e-01 4.66 -6.027061687e-01 -6.027061687e-01 4.68 -5.876881092e-01 -5.876881092e-01 4.70 -5.729929991e-01 -5.729929991e-01 4.72 -5.586154817e-01 -5.586154817e-01 4.74 -5.445502253e-01 -5.445502253e-01 4.76 -5.307919271e-01 -5.307919271e-01 4.78 -5.173353157e-01 -5.173353157e-01 4.80 -5.041751547e-01 -5.041751547e-01 4.82 -4.913062448e-01 -4.913062448e-01 4.84 -4.787234267e-01 -4.787234267e-01 4.86 -4.664215835e-01 -4.664215835e-01 4.88 -4.543956424e-01 -4.543956424e-01 4.90 -4.426405773e-01 -4.426405773e-01 4.92 -4.306015492e-01 -4.306015492e-01 4.94 -4.112953893e-01 -4.112953893e-01 4.96 -3.628335531e-01 -3.628335531e-01 4.98 -2.300663699e-01 -2.300663699e-01 5.00 -3.167108154e-22 -3.163226963e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00