# 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 = Fe2MgPt # 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 3.016038187e+02 3.016038187e+02 1.30 2.779860866e+02 2.779860866e+02 1.32 2.561617911e+02 2.561617911e+02 1.34 2.359969011e+02 2.359969011e+02 1.36 2.173716659e+02 2.173716659e+02 1.38 2.001708665e+02 2.001708665e+02 1.40 1.842792896e+02 1.842792896e+02 1.42 1.695837366e+02 1.695837366e+02 1.44 1.559783195e+02 1.559783195e+02 1.46 1.433692883e+02 1.433692883e+02 1.48 1.316767924e+02 1.316767924e+02 1.50 1.208329247e+02 1.208329247e+02 1.52 1.107775169e+02 1.107775169e+02 1.54 1.014541281e+02 1.014541281e+02 1.56 9.280786637e+01 9.280786637e+01 1.58 8.478514664e+01 8.478514664e+01 1.60 7.733447404e+01 7.733447404e+01 1.62 7.040752961e+01 7.040752961e+01 1.64 6.396025495e+01 6.396025495e+01 1.66 5.796186475e+01 5.796186475e+01 1.68 5.244681924e+01 5.244681924e+01 1.70 4.739614350e+01 4.739614350e+01 1.72 4.277824293e+01 4.277824293e+01 1.74 3.856360704e+01 3.856360704e+01 1.76 3.472291074e+01 3.472291074e+01 1.78 3.122634827e+01 3.122634827e+01 1.80 2.804416172e+01 2.804416172e+01 1.82 2.514767970e+01 2.514767970e+01 1.84 2.251014019e+01 2.251014019e+01 1.86 2.010702458e+01 2.010702458e+01 1.88 1.791601994e+01 1.791601994e+01 1.90 1.591686788e+01 1.591686788e+01 1.92 1.409125163e+01 1.409125163e+01 1.94 1.242274328e+01 1.242274328e+01 1.96 1.089674142e+01 1.089674142e+01 1.98 9.500354319e+00 9.500354319e+00 2.00 8.222218462e+00 8.222218462e+00 2.02 7.052280523e+00 7.052280523e+00 2.04 5.981586964e+00 5.981586964e+00 2.06 5.002109707e+00 5.002109707e+00 2.08 4.106609233e+00 4.106609233e+00 2.10 3.288520172e+00 3.288520172e+00 2.12 2.541853020e+00 2.541853020e+00 2.14 1.861112112e+00 1.861112112e+00 2.16 1.241236735e+00 1.241236735e+00 2.18 6.775614998e-01 6.775614998e-01 2.20 1.657893269e-01 1.657893269e-01 2.22 -2.980326317e-01 -2.980326317e-01 2.24 -7.175350437e-01 -7.175350437e-01 2.26 -1.096047416e+00 -1.096047416e+00 2.28 -1.436619543e+00 -1.436619543e+00 2.30 -1.742056168e+00 -1.742056168e+00 2.32 -2.016167733e+00 -2.016167733e+00 2.34 -2.261728713e+00 -2.261728713e+00 2.36 -2.480426305e+00 -2.480426305e+00 2.38 -2.673922801e+00 -2.673922801e+00 2.40 -2.843869006e+00 -2.843869006e+00 2.42 -2.991912258e+00 -2.991912258e+00 2.44 -3.119696173e+00 -3.119696173e+00 2.46 -3.228854991e+00 -3.228854991e+00 2.48 -3.321004585e+00 -3.321004585e+00 2.50 -3.397732721e+00 -3.397732721e+00 2.52 -3.460586512e+00 -3.460586512e+00 2.54 -3.511052207e+00 -3.511052207e+00 2.56 -3.550524677e+00 -3.550524677e+00 2.58 -3.580270919e+00 -3.580270919e+00 2.60 -3.601403891e+00 -3.601403891e+00 2.62 -3.614855444e+00 -3.614855444e+00 2.64 -3.621376887e+00 -3.621376887e+00 2.66 -3.621573988e+00 -3.621573988e+00 2.68 -3.615936930e+00 -3.615936930e+00 2.70 -3.604870115e+00 -3.604870115e+00 2.72 -3.588717655e+00 -3.588717655e+00 2.74 -3.567782222e+00 -3.567782222e+00 2.76 -3.542245212e+00 -3.542245212e+00 2.78 -3.512069984e+00 -3.512069984e+00 2.80 -3.477239953e+00 -3.477239953e+00 2.82 -3.437795799e+00 -3.437795799e+00 2.84 -3.393837729e+00 -3.393837729e+00 2.86 -3.345528950e+00 -3.345528950e+00 2.88 -3.293099826e+00 -3.293099826e+00 2.90 -3.236850885e+00 -3.236850885e+00 2.92 -3.177152611e+00 -3.177152611e+00 2.94 -3.114439572e+00 -3.114439572e+00 2.96 -3.049196689e+00 -3.049196689e+00 2.98 -2.981941438e+00 -2.981941438e+00 3.00 -2.913337786e+00 -2.913337786e+00 3.02 -2.844152594e+00 -2.844152594e+00 3.04 -2.775025394e+00 -2.775025394e+00 3.06 -2.706444790e+00 -2.706444790e+00 3.08 -2.638752702e+00 -2.638752702e+00 3.10 -2.572167395e+00 -2.572167395e+00 3.12 -2.506815456e+00 -2.506815456e+00 3.14 -2.442788059e+00 -2.442788059e+00 3.16 -2.380093584e+00 -2.380093584e+00 3.18 -2.318717209e+00 -2.318717209e+00 3.20 -2.258654009e+00 -2.258654009e+00 3.22 -2.199915442e+00 -2.199915442e+00 3.24 -2.142529358e+00 -2.142529358e+00 3.26 -2.086492852e+00 -2.086492852e+00 3.28 -2.031753827e+00 -2.031753827e+00 3.30 -1.978283461e+00 -1.978283461e+00 3.32 -1.926075819e+00 -1.926075819e+00 3.34 -1.875139884e+00 -1.875139884e+00 3.36 -1.825491835e+00 -1.825491835e+00 3.38 -1.777148245e+00 -1.777148245e+00 3.40 -1.730120706e+00 -1.730120706e+00 3.42 -1.684412441e+00 -1.684412441e+00 3.44 -1.640016144e+00 -1.640016144e+00 3.46 -1.596913852e+00 -1.596913852e+00 3.48 -1.555077671e+00 -1.555077671e+00 3.50 -1.514471306e+00 -1.514471306e+00 3.52 -1.475051967e+00 -1.475051967e+00 3.54 -1.436772361e+00 -1.436772361e+00 3.56 -1.399582560e+00 -1.399582560e+00 3.58 -1.363431626e+00 -1.363431626e+00 3.60 -1.328268912e+00 -1.328268912e+00 3.62 -1.294045044e+00 -1.294045044e+00 3.64 -1.260712592e+00 -1.260712592e+00 3.66 -1.228226474e+00 -1.228226474e+00 3.68 -1.196544151e+00 -1.196544151e+00 3.70 -1.165625658e+00 -1.165625658e+00 3.72 -1.135433515e+00 -1.135433515e+00 3.74 -1.105932567e+00 -1.105932567e+00 3.76 -1.077089765e+00 -1.077089765e+00 3.78 -1.048873922e+00 -1.048873922e+00 3.80 -1.021255423e+00 -1.021255423e+00 3.82 -9.942059045e-01 -9.942059045e-01 3.84 -9.676978991e-01 -9.676978991e-01 3.86 -9.417044413e-01 -9.417044413e-01 3.88 -9.161986711e-01 -9.161986711e-01 3.90 -8.911534812e-01 -8.911534812e-01 3.92 -8.665412493e-01 -8.665412493e-01 3.94 -8.423339211e-01 -8.423339211e-01 3.96 -8.185030496e-01 -8.185030496e-01 3.98 -7.950204970e-01 -7.950204970e-01 4.00 -7.718593091e-01 -7.718593091e-01 4.02 -7.489949574e-01 -7.489949574e-01 4.04 -7.264068496e-01 -7.264068496e-01 4.06 -7.040800091e-01 -7.040800091e-01 4.08 -6.820067809e-01 -6.820067809e-01 4.10 -6.601880574e-01 -6.601880574e-01 4.12 -6.386358135e-01 -6.386358135e-01 4.14 -6.173715264e-01 -6.173715264e-01 4.16 -5.964274437e-01 -5.964274437e-01 4.18 -5.758449617e-01 -5.758449617e-01 4.20 -5.556724066e-01 -5.556724066e-01 4.22 -5.359619329e-01 -5.359619329e-01 4.24 -5.167658143e-01 -5.167658143e-01 4.26 -4.981325253e-01 -4.981325253e-01 4.28 -4.801030732e-01 -4.801030732e-01 4.30 -4.627080029e-01 -4.627080029e-01 4.32 -4.459653840e-01 -4.459653840e-01 4.34 -4.298799234e-01 -4.298799234e-01 4.36 -4.144431674e-01 -4.144431674e-01 4.38 -3.996346142e-01 -3.996346142e-01 4.40 -3.854234695e-01 -3.854234695e-01 4.42 -3.717707551e-01 -3.717707551e-01 4.44 -3.586315117e-01 -3.586315117e-01 4.46 -3.459568805e-01 -3.459568805e-01 4.48 -3.336959464e-01 -3.336959464e-01 4.50 -3.217973296e-01 -3.217973296e-01 4.52 -3.102102606e-01 -3.102102606e-01 4.54 -2.988849686e-01 -2.988849686e-01 4.56 -2.877762969e-01 -2.877762969e-01 4.58 -2.768422499e-01 -2.768422499e-01 4.60 -2.660445045e-01 -2.660445045e-01 4.62 -2.553492843e-01 -2.553492843e-01 4.64 -2.447281673e-01 -2.447281673e-01 4.66 -2.341588728e-01 -2.341588728e-01 4.68 -2.236260341e-01 -2.236260341e-01 4.70 -2.131219277e-01 -2.131219277e-01 4.72 -2.026470983e-01 -2.026470983e-01 4.74 -1.922107948e-01 -1.922107948e-01 4.76 -1.818311208e-01 -1.818311208e-01 4.78 -1.715347988e-01 -1.715347988e-01 4.80 -1.613562673e-01 -1.613562673e-01 4.82 -1.513373394e-01 -1.513373394e-01 4.84 -1.415241770e-01 -1.415241770e-01 4.86 -1.319661457e-01 -1.319661457e-01 4.88 -1.227130441e-01 -1.227130441e-01 4.90 -1.138126906e-01 -1.138126906e-01 4.92 -1.053085511e-01 -1.053085511e-01 4.94 -9.723767668e-02 -9.723767668e-02 4.96 -8.962912568e-02 -8.962912568e-02 4.98 -8.250297655e-02 -8.250297655e-02 5.00 -7.586996583e-02 -7.586996583e-02 5.02 -6.973171619e-02 -6.973171619e-02 5.04 -6.408146206e-02 -6.408146206e-02 5.06 -5.890514421e-02 -5.890514421e-02 5.08 -5.418273120e-02 -5.418273120e-02 5.10 -4.988963211e-02 -4.988963211e-02 5.12 -4.599808537e-02 -4.599808537e-02 5.14 -4.247843751e-02 -4.247843751e-02 5.16 -3.930025589e-02 -3.930025589e-02 5.18 -3.643324711e-02 -3.643324711e-02 5.20 -3.384797540e-02 -3.384797540e-02 5.22 -3.151639258e-02 -3.151639258e-02 5.24 -2.941219681e-02 -2.941219681e-02 5.26 -2.751105162e-02 -2.751105162e-02 5.28 -2.579068997e-02 -2.579068997e-02 5.30 -2.423092891e-02 -2.423092891e-02 5.32 -2.281361904e-02 -2.281361904e-02 5.34 -2.152254824e-02 -2.152254824e-02 5.36 -2.034331614e-02 -2.034331614e-02 5.38 -1.926319133e-02 -1.926319133e-02 5.40 -1.827096114e-02 -1.827096114e-02 5.42 -1.735678045e-02 -1.735678045e-02 5.44 -1.651197547e-02 -1.651197547e-02 5.46 -1.572891510e-02 -1.572891510e-02 5.48 -1.500104823e-02 -1.500104823e-02 5.50 -1.432264495e-02 -1.432264495e-02 5.52 -1.368868550e-02 -1.368868550e-02 5.54 -1.309476530e-02 -1.309476530e-02 5.56 -1.253701040e-02 -1.253701040e-02 5.58 -1.201200342e-02 -1.201200342e-02 5.60 -1.151671922e-02 -1.151671922e-02 5.62 -1.104846975e-02 -1.104846975e-02 5.64 -1.060485714e-02 -1.060485714e-02 5.66 -1.018373405e-02 -1.018373405e-02 5.68 -9.783170152e-03 -9.783170152e-03 5.70 -9.401423934e-03 -9.401423934e-03 5.72 -9.036918704e-03 -9.036918704e-03 5.74 -8.688222196e-03 -8.688222196e-03 5.76 -8.354029051e-03 -8.354029051e-03 5.78 -8.033145712e-03 -8.033145712e-03 5.80 -7.724477345e-03 -7.724477345e-03 5.82 -7.427016526e-03 -7.427016526e-03 5.84 -7.139833504e-03 -7.139833504e-03 5.86 -6.862067929e-03 -6.862067929e-03 5.88 -6.592921963e-03 -6.592921963e-03 5.90 -6.331654743e-03 -6.331654743e-03 5.92 -6.077578169e-03 -6.077578169e-03 5.94 -5.830054029e-03 -5.830054029e-03 5.96 -5.588492432e-03 -5.588492432e-03 5.98 -5.352351575e-03 -5.352351575e-03 6.00 -5.121138777e-03 -5.121138777e-03