# 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 = AgPbPt2 # 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 3.920875089e+02 3.920875089e+02 1.30 3.662617034e+02 3.662617034e+02 1.32 3.421424562e+02 3.421424562e+02 1.34 3.196030615e+02 3.196030615e+02 1.36 2.985275007e+02 2.985275007e+02 1.38 2.788093773e+02 2.788093773e+02 1.40 2.603529342e+02 2.603529342e+02 1.42 2.430741013e+02 2.430741013e+02 1.44 2.268976238e+02 2.268976238e+02 1.46 2.117523685e+02 2.117523685e+02 1.48 1.975695310e+02 1.975695310e+02 1.50 1.842832539e+02 1.842832539e+02 1.52 1.718304066e+02 1.718304066e+02 1.54 1.601493332e+02 1.601493332e+02 1.56 1.491797295e+02 1.491797295e+02 1.58 1.388641164e+02 1.388641164e+02 1.60 1.291497045e+02 1.291497045e+02 1.62 1.199894677e+02 1.199894677e+02 1.64 1.113423147e+02 1.113423147e+02 1.66 1.031727667e+02 1.031727667e+02 1.68 9.545062337e+01 9.545062337e+01 1.70 8.815059673e+01 8.815059673e+01 1.72 8.125142713e+01 8.125142713e+01 1.74 7.473425862e+01 7.473425862e+01 1.76 6.865539742e+01 6.865539742e+01 1.78 6.304309167e+01 6.304309167e+01 1.80 5.785859953e+01 5.785859953e+01 1.82 5.306548316e+01 5.306548316e+01 1.84 4.863127381e+01 4.863127381e+01 1.86 4.452813344e+01 4.452813344e+01 1.88 4.073244242e+01 4.073244242e+01 1.90 3.722356399e+01 3.722356399e+01 1.92 3.398239570e+01 3.398239570e+01 1.94 3.099031959e+01 3.099031959e+01 1.96 2.822892290e+01 2.822892290e+01 1.98 2.568027566e+01 2.568027566e+01 2.00 2.332737538e+01 2.332737538e+01 2.02 2.115446115e+01 2.115446115e+01 2.04 1.914711986e+01 1.914711986e+01 2.06 1.729224591e+01 1.729224591e+01 2.08 1.557793131e+01 1.557793131e+01 2.10 1.399333732e+01 1.399333732e+01 2.12 1.252855769e+01 1.252855769e+01 2.14 1.117450297e+01 1.117450297e+01 2.16 9.922814118e+00 9.922814118e+00 2.18 8.765815499e+00 8.765815499e+00 2.20 7.696490966e+00 7.696490966e+00 2.22 6.708466589e+00 6.708466589e+00 2.24 5.795980131e+00 5.795980131e+00 2.26 4.953834027e+00 4.953834027e+00 2.28 4.177332039e+00 4.177332039e+00 2.30 3.462211584e+00 3.462211584e+00 2.32 2.804568393e+00 2.804568393e+00 2.34 2.200785333e+00 2.200785333e+00 2.36 1.647465887e+00 1.647465887e+00 2.38 1.141376443e+00 1.141376443e+00 2.40 6.794011895e-01 6.794011895e-01 2.42 2.585138744e-01 2.585138744e-01 2.44 -1.242318439e-01 -1.242318439e-01 2.46 -4.716930458e-01 -4.716930458e-01 2.48 -7.866172721e-01 -7.866172721e-01 2.50 -1.071621425e+00 -1.071621425e+00 2.52 -1.330182296e+00 -1.330182296e+00 2.54 -1.566311607e+00 -1.566311607e+00 2.56 -1.781508488e+00 -1.781508488e+00 2.58 -1.977169154e+00 -1.977169154e+00 2.60 -2.154630739e+00 -2.154630739e+00 2.62 -2.315139310e+00 -2.315139310e+00 2.64 -2.459830593e+00 -2.459830593e+00 2.66 -2.589718590e+00 -2.589718590e+00 2.68 -2.705701767e+00 -2.705701767e+00 2.70 -2.808573951e+00 -2.808573951e+00 2.72 -2.899039441e+00 -2.899039441e+00 2.74 -2.977728536e+00 -2.977728536e+00 2.76 -3.045211724e+00 -3.045211724e+00 2.78 -3.102011997e+00 -3.102011997e+00 2.80 -3.148616459e+00 -3.148616459e+00 2.82 -3.185487199e+00 -3.185487199e+00 2.84 -3.213074874e+00 -3.213074874e+00 2.86 -3.231834718e+00 -3.231834718e+00 2.88 -3.242245702e+00 -3.242245702e+00 2.90 -3.244831192e+00 -3.244831192e+00 2.92 -3.240177591e+00 -3.240177591e+00 2.94 -3.228945764e+00 -3.228945764e+00 2.96 -3.211869757e+00 -3.211869757e+00 2.98 -3.189739185e+00 -3.189739185e+00 3.00 -3.163365826e+00 -3.163365826e+00 3.02 -3.133540032e+00 -3.133540032e+00 3.04 -3.100985949e+00 -3.100985949e+00 3.06 -3.066336881e+00 -3.066336881e+00 3.08 -3.030164805e+00 -3.030164805e+00 3.10 -2.992812751e+00 -2.992812751e+00 3.12 -2.954494804e+00 -2.954494804e+00 3.14 -2.915349432e+00 -2.915349432e+00 3.16 -2.875455852e+00 -2.875455852e+00 3.18 -2.834857885e+00 -2.834857885e+00 3.20 -2.793578335e+00 -2.793578335e+00 3.22 -2.751629528e+00 -2.751629528e+00 3.24 -2.709019746e+00 -2.709019746e+00 3.26 -2.665757070e+00 -2.665757070e+00 3.28 -2.621853923e+00 -2.621853923e+00 3.30 -2.577328960e+00 -2.577328960e+00 3.32 -2.532206052e+00 -2.532206052e+00 3.34 -2.486516048e+00 -2.486516048e+00 3.36 -2.440298281e+00 -2.440298281e+00 3.38 -2.393626539e+00 -2.393626539e+00 3.40 -2.346670429e+00 -2.346670429e+00 3.42 -2.299589287e+00 -2.299589287e+00 3.44 -2.252504507e+00 -2.252504507e+00 3.46 -2.205529262e+00 -2.205529262e+00 3.48 -2.158768113e+00 -2.158768113e+00 3.50 -2.112316388e+00 -2.112316388e+00 3.52 -2.066259509e+00 -2.066259509e+00 3.54 -2.020672446e+00 -2.020672446e+00 3.56 -1.975619379e+00 -1.975619379e+00 3.58 -1.931153629e+00 -1.931153629e+00 3.60 -1.887317008e+00 -1.887317008e+00 3.62 -1.844136711e+00 -1.844136711e+00 3.64 -1.801629090e+00 -1.801629090e+00 3.66 -1.759802878e+00 -1.759802878e+00 3.68 -1.718659902e+00 -1.718659902e+00 3.70 -1.678195948e+00 -1.678195948e+00 3.72 -1.638401656e+00 -1.638401656e+00 3.74 -1.599263397e+00 -1.599263397e+00 3.76 -1.560764118e+00 -1.560764118e+00 3.78 -1.522884151e+00 -1.522884151e+00 3.80 -1.485602007e+00 -1.485602007e+00 3.82 -1.448895156e+00 -1.448895156e+00 3.84 -1.412740816e+00 -1.412740816e+00 3.86 -1.377116715e+00 -1.377116715e+00 3.88 -1.342001837e+00 -1.342001837e+00 3.90 -1.307377094e+00 -1.307377094e+00 3.92 -1.273225623e+00 -1.273225623e+00 3.94 -1.239534567e+00 -1.239534567e+00 3.96 -1.206293557e+00 -1.206293557e+00 3.98 -1.173496551e+00 -1.173496551e+00 4.00 -1.141141915e+00 -1.141141915e+00 4.02 -1.109232896e+00 -1.109232896e+00 4.04 -1.077778097e+00 -1.077778097e+00 4.06 -1.046791883e+00 -1.046791883e+00 4.08 -1.016294613e+00 -1.016294613e+00 4.10 -9.863119109e-01 -9.863119109e-01 4.12 -9.568769095e-01 -9.568769095e-01 4.14 -9.280247728e-01 -9.280247728e-01 4.16 -8.997941053e-01 -8.997941053e-01 4.18 -8.722238804e-01 -8.722238804e-01 4.20 -8.453508193e-01 -8.453508193e-01 4.22 -8.192066589e-01 -8.192066589e-01 4.24 -7.938156249e-01 -7.938156249e-01 4.26 -7.691924126e-01 -7.691924126e-01 4.28 -7.453408971e-01 -7.453408971e-01 4.30 -7.222536679e-01 -7.222536679e-01 4.32 -6.999123447e-01 -6.999123447e-01 4.34 -6.782885229e-01 -6.782885229e-01 4.36 -6.573451323e-01 -6.573451323e-01 4.38 -6.370379873e-01 -6.370379873e-01 4.40 -6.173173450e-01 -6.173173450e-01 4.42 -5.981293459e-01 -5.981293459e-01 4.44 -5.794172795e-01 -5.794172795e-01 4.46 -5.611226644e-01 -5.611226644e-01 4.48 -5.431861733e-01 -5.431861733e-01 4.50 -5.255484478e-01 -5.255484478e-01 4.52 -5.081508576e-01 -5.081508576e-01 4.54 -4.909362593e-01 -4.909362593e-01 4.56 -4.738498056e-01 -4.738498056e-01 4.58 -4.568398532e-01 -4.568398532e-01 4.60 -4.398590053e-01 -4.398590053e-01 4.62 -4.228653169e-01 -4.228653169e-01 4.64 -4.058236689e-01 -4.058236689e-01 4.66 -3.887072927e-01 -3.887072927e-01 4.68 -3.714993939e-01 -3.714993939e-01 4.70 -3.541947834e-01 -3.541947834e-01 4.72 -3.368013862e-01 -3.368013862e-01 4.74 -3.193414580e-01 -3.193414580e-01 4.76 -3.018523191e-01 -3.018523191e-01 4.78 -2.843864088e-01 -2.843864088e-01 4.80 -2.670097813e-01 -2.670097813e-01 4.82 -2.498033196e-01 -2.498033196e-01 4.84 -2.328554019e-01 -2.328554019e-01 4.86 -2.162615390e-01 -2.162615390e-01 4.88 -2.001193129e-01 -2.001193129e-01 4.90 -1.845238396e-01 -1.845238396e-01 4.92 -1.695633034e-01 -1.695633034e-01 4.94 -1.553149521e-01 -1.553149521e-01 4.96 -1.418418950e-01 -1.418418950e-01 4.98 -1.291909408e-01 -1.291909408e-01 5.00 -1.173915823e-01 -1.173915823e-01 5.02 -1.064561011e-01 -1.064561011e-01 5.04 -9.638064989e-02 -9.638064989e-02 5.06 -8.714709457e-02 -8.714709457e-02 5.08 -7.872535595e-02 -7.872535595e-02 5.10 -7.107599861e-02 -7.107599861e-02 5.12 -6.415284065e-02 -6.415284065e-02 5.14 -5.790540027e-02 -5.790540027e-02 5.16 -5.228107917e-02 -5.228107917e-02 5.18 -4.722699410e-02 -4.722699410e-02 5.20 -4.269142232e-02 -4.269142232e-02 5.22 -3.862488341e-02 -3.862488341e-02 5.24 -3.498088642e-02 -3.498088642e-02 5.26 -3.171620960e-02 -3.171620960e-02 5.28 -2.879088317e-02 -2.879088317e-02 5.30 -2.616967969e-02 -2.616967969e-02 5.32 -2.382076104e-02 -2.382076104e-02 5.34 -2.171542257e-02 -2.171542257e-02 5.36 -1.982790874e-02 -1.982790874e-02 5.38 -1.813511103e-02 -1.813511103e-02 5.40 -1.661624217e-02 -1.661624217e-02 5.42 -1.525297781e-02 -1.525297781e-02 5.44 -1.402888123e-02 -1.402888123e-02 5.46 -1.292916269e-02 -1.292916269e-02 5.48 -1.194050109e-02 -1.194050109e-02 5.50 -1.105088948e-02 -1.105088948e-02 5.52 -1.024950269e-02 -1.024950269e-02 5.54 -9.526583923e-03 -9.526583923e-03 5.56 -8.873346788e-03 -8.873346788e-03 5.58 -8.281889342e-03 -8.281889342e-03 5.60 -7.745117370e-03 -7.745117370e-03 5.62 -7.256673729e-03 -7.256673729e-03 5.64 -6.810876145e-03 -6.810876145e-03 5.66 -6.402657416e-03 -6.402657416e-03 5.68 -6.027509317e-03 -6.027509317e-03 5.70 -5.681430997e-03 -5.681430997e-03 5.72 -5.360881130e-03 -5.360881130e-03 5.74 -5.062733831e-03 -5.062733831e-03 5.76 -4.784238378e-03 -4.784238378e-03 5.78 -4.522982690e-03 -4.522982690e-03 5.80 -4.276860516e-03 -4.276860516e-03 5.82 -4.044042163e-03 -4.044042163e-03 5.84 -3.822948535e-03 -3.822948535e-03 5.86 -3.612228177e-03 -3.612228177e-03 5.88 -3.410736946e-03 -3.410736946e-03 5.90 -3.217519871e-03 -3.217519871e-03 5.92 -3.031794732e-03 -3.031794732e-03 5.94 -2.852975454e-03 -2.852975454e-03 5.96 -2.680843705e-03 -2.680843705e-03 5.98 -2.515033874e-03 -2.515033874e-03 6.00 -2.355234733e-03 -2.355234733e-03