# 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 = Ag2NiPt # 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 2.469158624e+02 2.469158624e+02 1.30 2.287913241e+02 2.287913241e+02 1.32 2.119661377e+02 2.119661377e+02 1.34 1.963466960e+02 1.963466960e+02 1.36 1.818478994e+02 1.818478994e+02 1.38 1.683869458e+02 1.683869458e+02 1.40 1.558810419e+02 1.558810419e+02 1.42 1.442496155e+02 1.442496155e+02 1.44 1.334184650e+02 1.334184650e+02 1.46 1.233230121e+02 1.233230121e+02 1.48 1.139089503e+02 1.139089503e+02 1.50 1.051300344e+02 1.051300344e+02 1.52 9.694440701e+01 9.694440701e+01 1.54 8.931160564e+01 8.931160564e+01 1.56 8.219145451e+01 8.219145451e+01 1.58 7.554447947e+01 7.554447947e+01 1.60 6.933287175e+01 6.933287175e+01 1.62 6.352142596e+01 6.352142596e+01 1.64 5.807834651e+01 5.807834651e+01 1.66 5.297929588e+01 5.297929588e+01 1.68 4.825613546e+01 4.825613546e+01 1.70 4.390303399e+01 4.390303399e+01 1.72 3.989536412e+01 3.989536412e+01 1.74 3.621038878e+01 3.621038878e+01 1.76 3.282575128e+01 3.282575128e+01 1.78 2.971873422e+01 2.971873422e+01 1.80 2.686653345e+01 2.686653345e+01 1.82 2.424713996e+01 2.424713996e+01 1.84 2.184014674e+01 2.184014674e+01 1.86 1.962708638e+01 1.962708638e+01 1.88 1.759134879e+01 1.759134879e+01 1.90 1.571794043e+01 1.571794043e+01 1.92 1.399329117e+01 1.399329117e+01 1.94 1.240516044e+01 1.240516044e+01 1.96 1.094259089e+01 1.094259089e+01 1.98 9.595838311e+00 9.595838311e+00 2.00 8.356237796e+00 8.356237796e+00 2.02 7.216013730e+00 7.216013730e+00 2.04 6.168079328e+00 6.168079328e+00 2.06 5.205873589e+00 5.205873589e+00 2.08 4.323254926e+00 4.323254926e+00 2.10 3.514442396e+00 3.514442396e+00 2.12 2.773987751e+00 2.773987751e+00 2.14 2.096767612e+00 2.096767612e+00 2.16 1.477989848e+00 1.477989848e+00 2.18 9.132063335e-01 9.132063335e-01 2.20 3.983213145e-01 3.983213145e-01 2.22 -7.041328484e-02 -7.041328484e-02 2.24 -4.964176952e-01 -4.964176952e-01 2.26 -8.828151432e-01 -8.828151432e-01 2.28 -1.232467514e+00 -1.232467514e+00 2.30 -1.548011217e+00 -1.548011217e+00 2.32 -1.831890729e+00 -1.831890729e+00 2.34 -2.086387303e+00 -2.086387303e+00 2.36 -2.313841042e+00 -2.313841042e+00 2.38 -2.517511330e+00 -2.517511330e+00 2.40 -2.699123129e+00 -2.699123129e+00 2.42 -2.860066737e+00 -2.860066737e+00 2.44 -3.001704389e+00 -3.001704389e+00 2.46 -3.125373202e+00 -3.125373202e+00 2.48 -3.232392620e+00 -3.232392620e+00 2.50 -3.324072682e+00 -3.324072682e+00 2.52 -3.401718370e+00 -3.401718370e+00 2.54 -3.466621430e+00 -3.466621430e+00 2.56 -3.520042446e+00 -3.520042446e+00 2.58 -3.563183000e+00 -3.563183000e+00 2.60 -3.597153740e+00 -3.597153740e+00 2.62 -3.622949009e+00 -3.622949009e+00 2.64 -3.641433166e+00 -3.641433166e+00 2.66 -3.653339273e+00 -3.653339273e+00 2.68 -3.659248702e+00 -3.659248702e+00 2.70 -3.659535973e+00 -3.659535973e+00 2.72 -3.654496364e+00 -3.654496364e+00 2.74 -3.644391504e+00 -3.644391504e+00 2.76 -3.629460663e+00 -3.629460663e+00 2.78 -3.609927759e+00 -3.609927759e+00 2.80 -3.586004963e+00 -3.586004963e+00 2.82 -3.557895421e+00 -3.557895421e+00 2.84 -3.525797963e+00 -3.525797963e+00 2.86 -3.489991278e+00 -3.489991278e+00 2.88 -3.450790793e+00 -3.450790793e+00 2.90 -3.408300248e+00 -3.408300248e+00 2.92 -3.362686074e+00 -3.362686074e+00 2.94 -3.314191229e+00 -3.314191229e+00 2.96 -3.263130563e+00 -3.263130563e+00 2.98 -3.209876626e+00 -3.209876626e+00 3.00 -3.154836531e+00 -3.154836531e+00 3.02 -3.098423400e+00 -3.098423400e+00 3.04 -3.041029435e+00 -3.041029435e+00 3.06 -2.983011068e+00 -2.983011068e+00 3.08 -2.924667273e+00 -2.924667273e+00 3.10 -2.866230965e+00 -2.866230965e+00 3.12 -2.807915532e+00 -2.807915532e+00 3.14 -2.749933674e+00 -2.749933674e+00 3.16 -2.692427433e+00 -2.692427433e+00 3.18 -2.635481417e+00 -2.635481417e+00 3.20 -2.579141427e+00 -2.579141427e+00 3.22 -2.523429110e+00 -2.523429110e+00 3.24 -2.468352784e+00 -2.468352784e+00 3.26 -2.413914973e+00 -2.413914973e+00 3.28 -2.360117309e+00 -2.360117309e+00 3.30 -2.306963428e+00 -2.306963428e+00 3.32 -2.254460438e+00 -2.254460438e+00 3.34 -2.202619360e+00 -2.202619360e+00 3.36 -2.151454894e+00 -2.151454894e+00 3.38 -2.100984718e+00 -2.100984718e+00 3.40 -2.051228520e+00 -2.051228520e+00 3.42 -2.002206881e+00 -2.002206881e+00 3.44 -1.953940141e+00 -1.953940141e+00 3.46 -1.906447341e+00 -1.906447341e+00 3.48 -1.859745312e+00 -1.859745312e+00 3.50 -1.813847967e+00 -1.813847967e+00 3.52 -1.768765802e+00 -1.768765802e+00 3.54 -1.724505603e+00 -1.724505603e+00 3.56 -1.681070329e+00 -1.681070329e+00 3.58 -1.638459117e+00 -1.638459117e+00 3.60 -1.596667379e+00 -1.596667379e+00 3.62 -1.555686958e+00 -1.555686958e+00 3.64 -1.515506321e+00 -1.515506321e+00 3.66 -1.476110818e+00 -1.476110818e+00 3.68 -1.437483002e+00 -1.437483002e+00 3.70 -1.399603059e+00 -1.399603059e+00 3.72 -1.362449349e+00 -1.362449349e+00 3.74 -1.325999061e+00 -1.325999061e+00 3.76 -1.290228932e+00 -1.290228932e+00 3.78 -1.255115976e+00 -1.255115976e+00 3.80 -1.220638114e+00 -1.220638114e+00 3.82 -1.186774605e+00 -1.186774605e+00 3.84 -1.153506201e+00 -1.153506201e+00 3.86 -1.120814974e+00 -1.120814974e+00 3.88 -1.088683849e+00 -1.088683849e+00 3.90 -1.057095942e+00 -1.057095942e+00 3.92 -1.026033840e+00 -1.026033840e+00 3.94 -9.954790347e-01 -9.954790347e-01 3.96 -9.654116286e-01 -9.654116286e-01 3.98 -9.358104717e-01 -9.358104717e-01 4.00 -9.066537451e-01 -9.066537451e-01 4.02 -8.779199750e-01 -8.779199750e-01 4.04 -8.495893884e-01 -8.495893884e-01 4.06 -8.216454796e-01 -8.216454796e-01 4.08 -7.940766311e-01 -7.940766311e-01 4.10 -7.668776046e-01 -7.668776046e-01 4.12 -7.400507484e-01 -7.400507484e-01 4.14 -7.136066729e-01 -7.136066729e-01 4.16 -6.875643434e-01 -6.875643434e-01 4.18 -6.619504267e-01 -6.619504267e-01 4.20 -6.367979207e-01 -6.367979207e-01 4.22 -6.121441621e-01 -6.121441621e-01 4.24 -5.880284147e-01 -5.880284147e-01 4.26 -5.644893118e-01 -5.644893118e-01 4.28 -5.415624457e-01 -5.415624457e-01 4.30 -5.192783656e-01 -5.192783656e-01 4.32 -4.976611563e-01 -4.976611563e-01 4.34 -4.767276681e-01 -4.767276681e-01 4.36 -4.564873573e-01 -4.564873573e-01 4.38 -4.369426176e-01 -4.369426176e-01 4.40 -4.180894326e-01 -4.180894326e-01 4.42 -3.999181727e-01 -3.999181727e-01 4.44 -3.824143755e-01 -3.824143755e-01 4.46 -3.655593963e-01 -3.655593963e-01 4.48 -3.493308686e-01 -3.493308686e-01 4.50 -3.337029793e-01 -3.337029793e-01 4.52 -3.186466182e-01 -3.186466182e-01 4.54 -3.041295027e-01 -3.041295027e-01 4.56 -2.901163953e-01 -2.901163953e-01 4.58 -2.765695220e-01 -2.765695220e-01 4.60 -2.634492662e-01 -2.634492662e-01 4.62 -2.507151646e-01 -2.507151646e-01 4.64 -2.383271823e-01 -2.383271823e-01 4.66 -2.262471975e-01 -2.262471975e-01 4.68 -2.144405964e-01 -2.144405964e-01 4.70 -2.028778571e-01 -2.028778571e-01 4.72 -1.915359997e-01 -1.915359997e-01 4.74 -1.803997778e-01 -1.803997778e-01 4.76 -1.694625036e-01 -1.694625036e-01 4.78 -1.587264145e-01 -1.587264145e-01 4.80 -1.482025189e-01 -1.482025189e-01 4.82 -1.379099075e-01 -1.379099075e-01 4.84 -1.278745275e-01 -1.278745275e-01 4.86 -1.181275276e-01 -1.181275276e-01 4.88 -1.087032694e-01 -1.087032694e-01 4.90 -9.963717185e-02 -9.963717185e-02 4.92 -9.096356334e-02 -9.096356334e-02 4.94 -8.271371008e-02 -8.271371008e-02 4.96 -7.491416310e-02 -7.491416310e-02 4.98 -6.758552101e-02 -6.758552101e-02 5.00 -6.074165389e-02 -6.074165389e-02 5.02 -5.438938327e-02 -5.438938327e-02 5.04 -4.852857217e-02 -4.852857217e-02 5.06 -4.315255326e-02 -4.315255326e-02 5.08 -3.824880815e-02 -3.824880815e-02 5.10 -3.379981258e-02 -3.379981258e-02 5.12 -2.978398231e-02 -2.978398231e-02 5.14 -2.617662799e-02 -2.617662799e-02 5.16 -2.295084729e-02 -2.295084729e-02 5.18 -2.007798435e-02 -2.007798435e-02 5.20 -1.752976430e-02 -1.752976430e-02 5.22 -1.527818322e-02 -1.527818322e-02 5.24 -1.329522255e-02 -1.329522255e-02 5.26 -1.155399176e-02 -1.155399176e-02 5.28 -1.002908267e-02 -1.002908267e-02 5.30 -8.696785395e-03 -8.696785395e-03 5.32 -7.535213229e-03 -7.535213229e-03 5.34 -6.524353132e-03 -6.524353132e-03 5.36 -5.646057193e-03 -5.646057193e-03 5.38 -4.883989127e-03 -4.883989127e-03 5.40 -4.223538142e-03 -4.223538142e-03 5.42 -3.651710729e-03 -3.651710729e-03 5.44 -3.157009100e-03 -3.157009100e-03 5.46 -2.729303263e-03 -2.729303263e-03 5.48 -2.359702144e-03 -2.359702144e-03 5.50 -2.040427724e-03 -2.040427724e-03 5.52 -1.764695020e-03 -1.764695020e-03 5.54 -1.526599720e-03 -1.526599720e-03 5.56 -1.321014557e-03 -1.321014557e-03 5.58 -1.143494867e-03 -1.143494867e-03 5.60 -9.901933965e-04 -9.901933965e-04 5.62 -8.577840716e-04 -8.577840716e-04 5.64 -7.433942722e-04 -7.433942722e-04 5.66 -6.445450008e-04 -6.445450008e-04 5.68 -5.590982926e-04 -5.590982926e-04 5.70 -4.852111781e-04 -4.852111781e-04 5.72 -4.212955230e-04 -4.212955230e-04 5.74 -3.659830975e-04 -3.659830975e-04 5.76 -3.180952688e-04 -3.180952688e-04 5.78 -2.766167584e-04 -2.766167584e-04 5.80 -2.406729596e-04 -2.406729596e-04 5.82 -2.095103567e-04 -2.095103567e-04 5.84 -1.824796445e-04 -1.824796445e-04 5.86 -1.590211868e-04 -1.590211868e-04 5.88 -1.386524997e-04 -1.386524997e-04 5.90 -1.209574840e-04 -1.209574840e-04 5.92 -1.055771657e-04 -1.055771657e-04 5.94 -9.220173605e-05 -9.220173605e-05 5.96 -8.056370971e-05 -8.056370971e-05 5.98 -7.043204429e-05 -7.043204429e-05 6.00 -6.160708659e-05 -6.160708659e-05