# 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 = AgAlTi2 # 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 2.149925394e+02 2.149925394e+02 1.30 1.994816160e+02 1.994816160e+02 1.32 1.851137512e+02 1.851137512e+02 1.34 1.717972952e+02 1.717972952e+02 1.36 1.594476293e+02 1.594476293e+02 1.38 1.479880999e+02 1.479880999e+02 1.40 1.373496231e+02 1.373496231e+02 1.42 1.274692856e+02 1.274692856e+02 1.44 1.182890055e+02 1.182890055e+02 1.46 1.097548653e+02 1.097548653e+02 1.48 1.018171371e+02 1.018171371e+02 1.50 9.443067259e+01 9.443067259e+01 1.52 8.755500501e+01 8.755500501e+01 1.54 8.115380594e+01 8.115380594e+01 1.56 7.519401255e+01 7.519401255e+01 1.58 6.964505649e+01 6.964505649e+01 1.60 6.447833122e+01 6.447833122e+01 1.62 5.966688528e+01 5.966688528e+01 1.64 5.518526572e+01 5.518526572e+01 1.66 5.100941274e+01 5.100941274e+01 1.68 4.711664173e+01 4.711664173e+01 1.70 4.348581611e+01 4.348581611e+01 1.72 4.009762397e+01 4.009762397e+01 1.74 3.693491590e+01 3.693491590e+01 1.76 3.398234328e+01 3.398234328e+01 1.78 3.122588696e+01 3.122588696e+01 1.80 2.865419539e+01 2.865419539e+01 1.82 2.625663417e+01 2.625663417e+01 1.84 2.402190664e+01 2.402190664e+01 1.86 2.193956382e+01 2.193956382e+01 1.88 1.999991277e+01 1.999991277e+01 1.90 1.819384156e+01 1.819384156e+01 1.92 1.651266160e+01 1.651266160e+01 1.94 1.494801519e+01 1.494801519e+01 1.96 1.349187641e+01 1.349187641e+01 1.98 1.213663132e+01 1.213663132e+01 2.00 1.087518116e+01 1.087518116e+01 2.02 9.701006901e+00 9.701006901e+00 2.04 8.608168784e+00 8.608168784e+00 2.06 7.591254207e+00 7.591254207e+00 2.08 6.645307465e+00 6.645307465e+00 2.10 5.765766456e+00 5.765766456e+00 2.12 4.948409538e+00 4.948409538e+00 2.14 4.189306412e+00 4.189306412e+00 2.16 3.484772843e+00 3.484772843e+00 2.18 2.831334177e+00 2.831334177e+00 2.20 2.225700648e+00 2.225700648e+00 2.22 1.664751581e+00 1.664751581e+00 2.24 1.145527325e+00 1.145527325e+00 2.26 6.652300498e-01 6.652300498e-01 2.28 2.212339302e-01 2.212339302e-01 2.30 -1.888987173e-01 -1.888987173e-01 2.32 -5.674055047e-01 -5.674055047e-01 2.34 -9.163209432e-01 -9.163209432e-01 2.36 -1.237486484e+00 -1.237486484e+00 2.38 -1.532571978e+00 -1.532571978e+00 2.40 -1.803106512e+00 -1.803106512e+00 2.42 -2.050513904e+00 -2.050513904e+00 2.44 -2.276146522e+00 -2.276146522e+00 2.46 -2.481312989e+00 -2.481312989e+00 2.48 -2.667296761e+00 -2.667296761e+00 2.50 -2.835365333e+00 -2.835365333e+00 2.52 -2.986771435e+00 -2.986771435e+00 2.54 -3.122748917e+00 -3.122748917e+00 2.56 -3.244506139e+00 -3.244506139e+00 2.58 -3.353218050e+00 -3.353218050e+00 2.60 -3.450018027e+00 -3.450018027e+00 2.62 -3.536080634e+00 -3.536080634e+00 2.64 -3.612349382e+00 -3.612349382e+00 2.66 -3.679601543e+00 -3.679601543e+00 2.68 -3.738529160e+00 -3.738529160e+00 2.70 -3.789730468e+00 -3.789730468e+00 2.72 -3.833713885e+00 -3.833713885e+00 2.74 -3.870911645e+00 -3.870911645e+00 2.76 -3.901697581e+00 -3.901697581e+00 2.78 -3.926340524e+00 -3.926340524e+00 2.80 -3.944954964e+00 -3.944954964e+00 2.82 -3.957669696e+00 -3.957669696e+00 2.84 -3.964657744e+00 -3.964657744e+00 2.86 -3.966650689e+00 -3.966650689e+00 2.88 -3.963988820e+00 -3.963988820e+00 2.90 -3.956673536e+00 -3.956673536e+00 2.92 -3.944764846e+00 -3.944764846e+00 2.94 -3.928373653e+00 -3.928373653e+00 2.96 -3.907656786e+00 -3.907656786e+00 2.98 -3.882815055e+00 -3.882815055e+00 3.00 -3.854093420e+00 -3.854093420e+00 3.02 -3.821785303e+00 -3.821785303e+00 3.04 -3.786238245e+00 -3.786238245e+00 3.06 -3.747873849e+00 -3.747873849e+00 3.08 -3.707115849e+00 -3.707115849e+00 3.10 -3.664254365e+00 -3.664254365e+00 3.12 -3.619564748e+00 -3.619564748e+00 3.14 -3.573295609e+00 -3.573295609e+00 3.16 -3.525659370e+00 -3.525659370e+00 3.18 -3.476830349e+00 -3.476830349e+00 3.20 -3.426947842e+00 -3.426947842e+00 3.22 -3.376122394e+00 -3.376122394e+00 3.24 -3.324443887e+00 -3.324443887e+00 3.26 -3.271991730e+00 -3.271991730e+00 3.28 -3.218836880e+00 -3.218836880e+00 3.30 -3.165044346e+00 -3.165044346e+00 3.32 -3.110676380e+00 -3.110676380e+00 3.34 -3.055794642e+00 -3.055794642e+00 3.36 -3.000461708e+00 -3.000461708e+00 3.38 -2.944742266e+00 -2.944742266e+00 3.40 -2.888704217e+00 -2.888704217e+00 3.42 -2.832420018e+00 -2.832420018e+00 3.44 -2.775967893e+00 -2.775967893e+00 3.46 -2.719433399e+00 -2.719433399e+00 3.48 -2.662910610e+00 -2.662910610e+00 3.50 -2.606502670e+00 -2.606502670e+00 3.52 -2.550321143e+00 -2.550321143e+00 3.54 -2.494483704e+00 -2.494483704e+00 3.56 -2.439110020e+00 -2.439110020e+00 3.58 -2.384316122e+00 -2.384316122e+00 3.60 -2.330208129e+00 -2.330208129e+00 3.62 -2.276876455e+00 -2.276876455e+00 3.64 -2.224391619e+00 -2.224391619e+00 3.66 -2.172802350e+00 -2.172802350e+00 3.68 -2.122136089e+00 -2.122136089e+00 3.70 -2.072401424e+00 -2.072401424e+00 3.72 -2.023591718e+00 -2.023591718e+00 3.74 -1.975689125e+00 -1.975689125e+00 3.76 -1.928668407e+00 -1.928668407e+00 3.78 -1.882500166e+00 -1.882500166e+00 3.80 -1.837153379e+00 -1.837153379e+00 3.82 -1.792597228e+00 -1.792597228e+00 3.84 -1.748802347e+00 -1.748802347e+00 3.86 -1.705741591e+00 -1.705741591e+00 3.88 -1.663390450e+00 -1.663390450e+00 3.90 -1.621727186e+00 -1.621727186e+00 3.92 -1.580732732e+00 -1.580732732e+00 3.94 -1.540390684e+00 -1.540390684e+00 3.96 -1.500686675e+00 -1.500686675e+00 3.98 -1.461608221e+00 -1.461608221e+00 4.00 -1.423144272e+00 -1.423144272e+00 4.02 -1.385284833e+00 -1.385284833e+00 4.04 -1.348020651e+00 -1.348020651e+00 4.06 -1.311343022e+00 -1.311343022e+00 4.08 -1.275243742e+00 -1.275243742e+00 4.10 -1.239715114e+00 -1.239715114e+00 4.12 -1.204750826e+00 -1.204750826e+00 4.14 -1.170345626e+00 -1.170345626e+00 4.16 -1.136496624e+00 -1.136496624e+00 4.18 -1.103203923e+00 -1.103203923e+00 4.20 -1.070471440e+00 -1.070471440e+00 4.22 -1.038307602e+00 -1.038307602e+00 4.24 -1.006725810e+00 -1.006725810e+00 4.26 -9.757445192e-01 -9.757445192e-01 4.28 -9.453868258e-01 -9.453868258e-01 4.30 -9.156795080e-01 -9.156795080e-01 4.32 -8.866515304e-01 -8.866515304e-01 4.34 -8.583321182e-01 -8.583321182e-01 4.36 -8.307485809e-01 -8.307485809e-01 4.38 -8.039241207e-01 -8.039241207e-01 4.40 -7.778758714e-01 -7.778758714e-01 4.42 -7.526133794e-01 -7.526133794e-01 4.44 -7.281376675e-01 -7.281376675e-01 4.46 -7.044409323e-01 -7.044409323e-01 4.48 -6.815068331e-01 -6.815068331e-01 4.50 -6.593112639e-01 -6.593112639e-01 4.52 -6.378234611e-01 -6.378234611e-01 4.54 -6.170072883e-01 -6.170072883e-01 4.56 -5.968225637e-01 -5.968225637e-01 4.58 -5.772263250e-01 -5.772263250e-01 4.60 -5.581739679e-01 -5.581739679e-01 4.62 -5.396202330e-01 -5.396202330e-01 4.64 -5.215200441e-01 -5.215200441e-01 4.66 -5.038292242e-01 -5.038292242e-01 4.68 -4.865051262e-01 -4.865051262e-01 4.70 -4.695072217e-01 -4.695072217e-01 4.72 -4.527976875e-01 -4.527976875e-01 4.74 -4.363420249e-01 -4.363420249e-01 4.76 -4.201097324e-01 -4.201097324e-01 4.78 -4.040750423e-01 -4.040750423e-01 4.80 -3.882176238e-01 -3.882176238e-01 4.82 -3.725237553e-01 -3.725237553e-01 4.84 -3.569865486e-01 -3.569865486e-01 4.86 -3.416070314e-01 -3.416070314e-01 4.88 -3.263945481e-01 -3.263945481e-01 4.90 -3.113669830e-01 -3.113669830e-01 4.92 -2.965506073e-01 -2.965506073e-01 4.94 -2.819794705e-01 -2.819794705e-01 4.96 -2.676942910e-01 -2.676942910e-01 4.98 -2.537408462e-01 -2.537408462e-01 5.00 -2.401679228e-01 -2.401679228e-01 5.02 -2.270249458e-01 -2.270249458e-01 5.04 -2.143594596e-01 -2.143594596e-01 5.06 -2.022146638e-01 -2.022146638e-01 5.08 -1.906272158e-01 -1.906272158e-01 5.10 -1.796254827e-01 -1.796254827e-01 5.12 -1.692283765e-01 -1.692283765e-01 5.14 -1.594448333e-01 -1.594448333e-01 5.16 -1.502739256e-01 -1.502739256e-01 5.18 -1.417055289e-01 -1.417055289e-01 5.20 -1.337214177e-01 -1.337214177e-01 5.22 -1.262966431e-01 -1.262966431e-01 5.24 -1.194010433e-01 -1.194010433e-01 5.26 -1.130007527e-01 -1.130007527e-01 5.28 -1.070596125e-01 -1.070596125e-01 5.30 -1.015404134e-01 -1.015404134e-01 5.32 -9.640592982e-02 -9.640592982e-02 5.34 -9.161943705e-02 -9.161943705e-02 5.36 -8.714576318e-02 -8.714576318e-02 5.38 -8.295210664e-02 -8.295210664e-02 5.40 -7.900759074e-02 -7.900759074e-02 5.42 -7.528348298e-02 -7.528348298e-02 5.44 -7.175330409e-02 -7.175330409e-02 5.46 -6.839285544e-02 -6.839285544e-02 5.48 -6.518019588e-02 -6.518019588e-02 5.50 -6.209559292e-02 -6.209559292e-02 5.52 -5.912146689e-02 -5.912146689e-02 5.54 -5.624234144e-02 -5.624234144e-02 5.56 -5.344480844e-02 -5.344480844e-02 5.58 -5.071751102e-02 -5.071751102e-02 5.60 -4.805114369e-02 -4.805114369e-02 5.62 -4.543846443e-02 -4.543846443e-02 5.64 -4.287430973e-02 -4.287430973e-02 5.66 -4.035559957e-02 -4.035559957e-02 5.68 -3.788131991e-02 -3.788131991e-02 5.70 -3.545246224e-02 -3.545246224e-02 5.72 -3.307190761e-02 -3.307190761e-02 5.74 -3.074424254e-02 -3.074424254e-02 5.76 -2.847549999e-02 -2.847549999e-02 5.78 -2.627282737e-02 -2.627282737e-02 5.80 -2.414408576e-02 -2.414408576e-02 5.82 -2.209741014e-02 -2.209741014e-02 5.84 -2.014075175e-02 -2.014075175e-02 5.86 -1.828143298e-02 -1.828143298e-02 5.88 -1.652574873e-02 -1.652574873e-02 5.90 -1.487864286e-02 -1.487864286e-02 5.92 -1.334336531e-02 -1.334336531e-02 5.94 -1.192131195e-02 -1.192131195e-02 5.96 -1.061263325e-02 -1.061263325e-02 5.98 -9.415816884e-03 -9.415816884e-03 6.00 -8.327822735e-03 -8.327822735e-03