# 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 = CuNiPt2 # 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 2.371507385e+02 2.371507385e+02 1.30 2.200984757e+02 2.200984757e+02 1.32 2.041891415e+02 2.041891415e+02 1.34 1.893549656e+02 1.893549656e+02 1.36 1.755295545e+02 1.755295545e+02 1.38 1.626430263e+02 1.626430263e+02 1.40 1.506242846e+02 1.506242846e+02 1.42 1.394057579e+02 1.394057579e+02 1.44 1.289248658e+02 1.289248658e+02 1.46 1.191243181e+02 1.191243181e+02 1.48 1.099544861e+02 1.099544861e+02 1.50 1.013747745e+02 1.013747745e+02 1.52 9.335030223e+01 9.335030223e+01 1.54 8.584611035e+01 8.584611035e+01 1.56 7.882383206e+01 7.882383206e+01 1.58 7.224236768e+01 7.224236768e+01 1.60 6.606048668e+01 6.606048668e+01 1.62 6.023928275e+01 6.023928275e+01 1.64 5.474401262e+01 5.474401262e+01 1.66 4.954553845e+01 4.954553845e+01 1.68 4.462129679e+01 4.462129679e+01 1.70 4.000652536e+01 4.000652536e+01 1.72 3.576987966e+01 3.576987966e+01 1.74 3.189031389e+01 3.189031389e+01 1.76 2.834568823e+01 2.834568823e+01 1.78 2.511280844e+01 2.511280844e+01 1.80 2.216757550e+01 2.216757550e+01 1.82 1.948613842e+01 1.948613842e+01 1.84 1.704616955e+01 1.704616955e+01 1.86 1.482763104e+01 1.482763104e+01 1.88 1.281272026e+01 1.281272026e+01 1.90 1.098508989e+01 1.098508989e+01 1.92 9.328883832e+00 9.328883832e+00 1.94 7.828255829e+00 7.828255829e+00 1.96 6.467648244e+00 6.467648244e+00 1.98 5.232533999e+00 5.232533999e+00 2.00 4.110078714e+00 4.110078714e+00 2.02 3.089384685e+00 3.089384685e+00 2.04 2.161327854e+00 2.161327854e+00 2.06 1.318188518e+00 1.318188518e+00 2.08 5.532631748e-01 5.532631748e-01 2.10 -1.394489104e-01 -1.394489104e-01 2.12 -7.654619389e-01 -7.654619389e-01 2.14 -1.329928514e+00 -1.329928514e+00 2.16 -1.837688360e+00 -1.837688360e+00 2.18 -2.293264760e+00 -2.293264760e+00 2.20 -2.700838381e+00 -2.700838381e+00 2.22 -3.064223433e+00 -3.064223433e+00 2.24 -3.386859697e+00 -3.386859697e+00 2.26 -3.671825450e+00 -3.671825450e+00 2.28 -3.921873666e+00 -3.921873666e+00 2.30 -4.139491096e+00 -4.139491096e+00 2.32 -4.326972174e+00 -4.326972174e+00 2.34 -4.486490685e+00 -4.486490685e+00 2.36 -4.620151325e+00 -4.620151325e+00 2.38 -4.730013580e+00 -4.730013580e+00 2.40 -4.818095070e+00 -4.818095070e+00 2.42 -4.887765036e+00 -4.887765036e+00 2.44 -4.942658048e+00 -4.942658048e+00 2.46 -4.983747293e+00 -4.983747293e+00 2.48 -5.012113541e+00 -5.012113541e+00 2.50 -5.028964656e+00 -5.028964656e+00 2.52 -5.035598149e+00 -5.035598149e+00 2.54 -5.033341904e+00 -5.033341904e+00 2.56 -5.023474886e+00 -5.023474886e+00 2.58 -5.007141898e+00 -5.007141898e+00 2.60 -4.985285053e+00 -4.985285053e+00 2.62 -4.958610737e+00 -4.958610737e+00 2.64 -4.927605136e+00 -4.927605136e+00 2.66 -4.892580595e+00 -4.892580595e+00 2.68 -4.853736320e+00 -4.853736320e+00 2.70 -4.811214567e+00 -4.811214567e+00 2.72 -4.765139982e+00 -4.765139982e+00 2.74 -4.715742866e+00 -4.715742866e+00 2.76 -4.663201669e+00 -4.663201669e+00 2.78 -4.607391982e+00 -4.607391982e+00 2.80 -4.548220138e+00 -4.548220138e+00 2.82 -4.485634702e+00 -4.485634702e+00 2.84 -4.419622684e+00 -4.419622684e+00 2.86 -4.350217951e+00 -4.350217951e+00 2.88 -4.277518954e+00 -4.277518954e+00 2.90 -4.201710632e+00 -4.201710632e+00 2.92 -4.123084015e+00 -4.123084015e+00 2.94 -4.042053383e+00 -4.042053383e+00 2.96 -3.959150064e+00 -3.959150064e+00 2.98 -3.874986292e+00 -3.874986292e+00 3.00 -3.790211002e+00 -3.790211002e+00 3.02 -3.705456036e+00 -3.705456036e+00 3.04 -3.621283364e+00 -3.621283364e+00 3.06 -3.538144727e+00 -3.538144727e+00 3.08 -3.456360786e+00 -3.456360786e+00 3.10 -3.376120902e+00 -3.376120902e+00 3.12 -3.297499039e+00 -3.297499039e+00 3.14 -3.220478789e+00 -3.220478789e+00 3.16 -3.144980622e+00 -3.144980622e+00 3.18 -3.070886567e+00 -3.070886567e+00 3.20 -2.998059901e+00 -2.998059901e+00 3.22 -2.926375003e+00 -2.926375003e+00 3.24 -2.855804137e+00 -2.855804137e+00 3.26 -2.786340589e+00 -2.786340589e+00 3.28 -2.717962954e+00 -2.717962954e+00 3.30 -2.650644496e+00 -2.650644496e+00 3.32 -2.584359704e+00 -2.584359704e+00 3.34 -2.519088592e+00 -2.519088592e+00 3.36 -2.454819142e+00 -2.454819142e+00 3.38 -2.391548139e+00 -2.391548139e+00 3.40 -2.329280670e+00 -2.329280670e+00 3.42 -2.268028582e+00 -2.268028582e+00 3.44 -2.207808251e+00 -2.207808251e+00 3.46 -2.148638056e+00 -2.148638056e+00 3.48 -2.090535901e+00 -2.090535901e+00 3.50 -2.033517061e+00 -2.033517061e+00 3.52 -1.977592553e+00 -1.977592553e+00 3.54 -1.922768094e+00 -1.922768094e+00 3.56 -1.869043637e+00 -1.869043637e+00 3.58 -1.816413413e+00 -1.816413413e+00 3.60 -1.764866357e+00 -1.764866357e+00 3.62 -1.714386823e+00 -1.714386823e+00 3.64 -1.664955501e+00 -1.664955501e+00 3.66 -1.616550486e+00 -1.616550486e+00 3.68 -1.569148492e+00 -1.569148492e+00 3.70 -1.522726201e+00 -1.522726201e+00 3.72 -1.477261725e+00 -1.477261725e+00 3.74 -1.432736121e+00 -1.432736121e+00 3.76 -1.389134836e+00 -1.389134836e+00 3.78 -1.346448906e+00 -1.346448906e+00 3.80 -1.304675699e+00 -1.304675699e+00 3.82 -1.263818969e+00 -1.263818969e+00 3.84 -1.223888105e+00 -1.223888105e+00 3.86 -1.184896537e+00 -1.184896537e+00 3.88 -1.146859441e+00 -1.146859441e+00 3.90 -1.109791054e+00 -1.109791054e+00 3.92 -1.073702013e+00 -1.073702013e+00 3.94 -1.038597165e+00 -1.038597165e+00 3.96 -1.004474201e+00 -1.004474201e+00 3.98 -9.713233662e-01 -9.713233662e-01 4.00 -9.391282235e-01 -9.391282235e-01 4.02 -9.078673224e-01 -9.078673224e-01 4.04 -8.775164577e-01 -8.775164577e-01 4.06 -8.480511388e-01 -8.480511388e-01 4.08 -8.194488854e-01 -8.194488854e-01 4.10 -7.916910106e-01 -7.916910106e-01 4.12 -7.647636800e-01 -7.647636800e-01 4.14 -7.386580194e-01 -7.386580194e-01 4.16 -7.133693849e-01 -7.133693849e-01 4.18 -6.888958193e-01 -6.888958193e-01 4.20 -6.652359705e-01 -6.652359705e-01 4.22 -6.423867872e-01 -6.423867872e-01 4.24 -6.203413434e-01 -6.203413434e-01 4.26 -5.990871114e-01 -5.990871114e-01 4.28 -5.786049056e-01 -5.786049056e-01 4.30 -5.588685872e-01 -5.588685872e-01 4.32 -5.398454760e-01 -5.398454760e-01 4.34 -5.214973063e-01 -5.214973063e-01 4.36 -5.037814936e-01 -5.037814936e-01 4.38 -4.866524755e-01 -4.866524755e-01 4.40 -4.700629246e-01 -4.700629246e-01 4.42 -4.539647047e-01 -4.539647047e-01 4.44 -4.383095183e-01 -4.383095183e-01 4.46 -4.230492688e-01 -4.230492688e-01 4.48 -4.081362151e-01 -4.081362151e-01 4.50 -3.935230293e-01 -3.935230293e-01 4.52 -3.791628719e-01 -3.791628719e-01 4.54 -3.650095943e-01 -3.650095943e-01 4.56 -3.510181448e-01 -3.510181448e-01 4.58 -3.371452293e-01 -3.371452293e-01 4.60 -3.233502427e-01 -3.233502427e-01 4.62 -3.095964570e-01 -3.095964570e-01 4.64 -2.958524262e-01 -2.958524262e-01 4.66 -2.820935335e-01 -2.820935335e-01 4.68 -2.683036395e-01 -2.683036395e-01 4.70 -2.544766500e-01 -2.544766500e-01 4.72 -2.406178856e-01 -2.406178856e-01 4.74 -2.267454894e-01 -2.267454894e-01 4.76 -2.128916924e-01 -2.128916924e-01 4.78 -1.990989700e-01 -1.990989700e-01 4.80 -1.854222391e-01 -1.854222391e-01 4.82 -1.719272819e-01 -1.719272819e-01 4.84 -1.586879461e-01 -1.586879461e-01 4.86 -1.457827724e-01 -1.457827724e-01 4.88 -1.332912128e-01 -1.332912128e-01 4.90 -1.212897136e-01 -1.212897136e-01 4.92 -1.098479770e-01 -1.098479770e-01 4.94 -9.902571542e-02 -9.902571542e-02 4.96 -8.887015875e-02 -8.887015875e-02 4.98 -7.941448519e-02 -7.941448519e-02 5.00 -7.067723144e-02 -7.067723144e-02 5.02 -6.266263007e-02 -6.266263007e-02 5.04 -5.536173120e-02 -5.536173120e-02 5.06 -4.875410752e-02 -4.875410752e-02 5.08 -4.280992002e-02 -4.280992002e-02 5.10 -3.749213073e-02 -3.749213073e-02 5.12 -3.275868120e-02 -3.275868120e-02 5.14 -2.856449995e-02 -2.856449995e-02 5.16 -2.486325043e-02 -2.486325043e-02 5.18 -2.160877427e-02 -2.160877427e-02 5.20 -1.875621757e-02 -1.875621757e-02 5.22 -1.626286376e-02 -1.626286376e-02 5.24 -1.408869917e-02 -1.408869917e-02 5.26 -1.219665426e-02 -1.219665426e-02 5.28 -1.055264875e-02 -1.055264875e-02 5.30 -9.126422532e-03 -9.126422532e-03 5.32 -7.890766382e-03 -7.890766382e-03 5.34 -6.821352045e-03 -6.821352045e-03 5.36 -5.896583760e-03 -5.896583760e-03 5.38 -5.097404337e-03 -5.097404337e-03 5.40 -4.407078226e-03 -4.407078226e-03 5.42 -3.810967349e-03 -3.810967349e-03 5.44 -3.296310333e-03 -3.296310333e-03 5.46 -2.852012024e-03 -2.852012024e-03 5.48 -2.468447351e-03 -2.468447351e-03 5.50 -2.137281680e-03 -2.137281680e-03 5.52 -1.851308395e-03 -1.851308395e-03 5.54 -1.604303557e-03 -1.604303557e-03 5.56 -1.390896884e-03 -1.390896884e-03 5.58 -1.206457976e-03 -1.206457976e-03 5.60 -1.046996505e-03 -1.046996505e-03 5.62 -9.090750246e-04 -9.090750246e-04 5.64 -7.897330898e-04 -7.897330898e-04 5.66 -6.864213846e-04 -6.864213846e-04 5.68 -5.969446903e-04 -5.969446903e-04 5.70 -5.194125926e-04 -5.194125926e-04 5.72 -4.521969469e-04 -4.521969469e-04 5.74 -3.938952189e-04 -3.938952189e-04 5.76 -3.432989214e-04 -3.432989214e-04 5.78 -2.993664587e-04 -2.993664587e-04 5.80 -2.611997768e-04 -2.611997768e-04 5.82 -2.280242953e-04 -2.280242953e-04 5.84 -1.991716633e-04 -1.991716633e-04 5.86 -1.740649449e-04 -1.740649449e-04 5.88 -1.522058936e-04 -1.522058936e-04 5.90 -1.331640189e-04 -1.331640189e-04 5.92 -1.165671940e-04 -1.165671940e-04 5.94 -1.020935841e-04 -1.020935841e-04 5.96 -8.946470949e-05 -8.946470949e-05 5.98 -7.843948156e-05 -7.843948156e-05 6.00 -6.880907381e-05 -6.880907381e-05