# 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 = Au2PtZr # 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 4.472829779e+02 4.472829779e+02 1.30 4.176458886e+02 4.176458886e+02 1.32 3.900367296e+02 3.900367296e+02 1.34 3.643044672e+02 3.643044672e+02 1.36 3.403129921e+02 3.403129921e+02 1.38 3.179332372e+02 3.179332372e+02 1.40 2.970408201e+02 2.970408201e+02 1.42 2.775201395e+02 2.775201395e+02 1.44 2.592686950e+02 2.592686950e+02 1.46 2.421969034e+02 2.421969034e+02 1.48 2.262243546e+02 2.262243546e+02 1.50 2.112763933e+02 2.112763933e+02 1.52 1.972824138e+02 1.972824138e+02 1.54 1.841753159e+02 1.841753159e+02 1.56 1.718911017e+02 1.718911017e+02 1.58 1.603688738e+02 1.603688738e+02 1.60 1.495516580e+02 1.495516580e+02 1.62 1.393877124e+02 1.393877124e+02 1.64 1.298313235e+02 1.298313235e+02 1.66 1.208424710e+02 1.208424710e+02 1.68 1.123857723e+02 1.123857723e+02 1.70 1.044291216e+02 1.044291216e+02 1.72 9.694275597e+01 9.694275597e+01 1.74 8.989852098e+01 8.989852098e+01 1.76 8.326930054e+01 8.326930054e+01 1.78 7.702869198e+01 7.702869198e+01 1.80 7.115116018e+01 7.115116018e+01 1.82 6.561247804e+01 6.561247804e+01 1.84 6.039018585e+01 6.039018585e+01 1.86 5.546371113e+01 5.546371113e+01 1.88 5.081457677e+01 5.081457677e+01 1.90 4.643402812e+01 4.643402812e+01 1.92 4.235458998e+01 4.235458998e+01 1.94 3.857708881e+01 3.857708881e+01 1.96 3.508004401e+01 3.508004401e+01 1.98 3.184375424e+01 3.184375424e+01 2.00 2.884981992e+01 2.884981992e+01 2.02 2.608085551e+01 2.608085551e+01 2.04 2.352042850e+01 2.352042850e+01 2.06 2.115313197e+01 2.115313197e+01 2.08 1.896469103e+01 1.896469103e+01 2.10 1.694197081e+01 1.694197081e+01 2.12 1.507290805e+01 1.507290805e+01 2.14 1.334636772e+01 1.334636772e+01 2.16 1.175198874e+01 1.175198874e+01 2.18 1.028007580e+01 1.028007580e+01 2.20 8.921564186e+00 8.921564186e+00 2.22 7.668014407e+00 7.668014407e+00 2.24 6.511622817e+00 6.511622817e+00 2.26 5.445220363e+00 5.445220363e+00 2.28 4.462268077e+00 4.462268077e+00 2.30 3.556805146e+00 3.556805146e+00 2.32 2.723417453e+00 2.723417453e+00 2.34 1.957153444e+00 1.957153444e+00 2.36 1.253463699e+00 1.253463699e+00 2.38 6.081336665e-01 6.081336665e-01 2.40 1.723320483e-02 1.723320483e-02 2.42 -5.229219703e-01 -5.229219703e-01 2.44 -1.015787951e+00 -1.015787951e+00 2.46 -1.464608524e+00 -1.464608524e+00 2.48 -1.872423281e+00 -1.872423281e+00 2.50 -2.242079644e+00 -2.242079644e+00 2.52 -2.576252827e+00 -2.576252827e+00 2.54 -2.877473812e+00 -2.877473812e+00 2.56 -3.148158918e+00 -3.148158918e+00 2.58 -3.390630819e+00 -3.390630819e+00 2.60 -3.607123028e+00 -3.607123028e+00 2.62 -3.799766919e+00 -3.799766919e+00 2.64 -3.970595036e+00 -3.970595036e+00 2.66 -4.121496487e+00 -4.121496487e+00 2.68 -4.254603060e+00 -4.254603060e+00 2.70 -4.372264119e+00 -4.372264119e+00 2.72 -4.475435964e+00 -4.475435964e+00 2.74 -4.564964018e+00 -4.564964018e+00 2.76 -4.641632220e+00 -4.641632220e+00 2.78 -4.706168472e+00 -4.706168472e+00 2.80 -4.759245422e+00 -4.759245422e+00 2.82 -4.801385965e+00 -4.801385965e+00 2.84 -4.833054461e+00 -4.833054461e+00 2.86 -4.854725399e+00 -4.854725399e+00 2.88 -4.866888598e+00 -4.866888598e+00 2.90 -4.870055907e+00 -4.870055907e+00 2.92 -4.864768373e+00 -4.864768373e+00 2.94 -4.851601386e+00 -4.851601386e+00 2.96 -4.831165080e+00 -4.831165080e+00 2.98 -4.804097930e+00 -4.804097930e+00 3.00 -4.771053141e+00 -4.771053141e+00 3.02 -4.732743420e+00 -4.732743420e+00 3.04 -4.689844309e+00 -4.689844309e+00 3.06 -4.642839692e+00 -4.642839692e+00 3.08 -4.592165889e+00 -4.592165889e+00 3.10 -4.538219915e+00 -4.538219915e+00 3.12 -4.481352977e+00 -4.481352977e+00 3.14 -4.421878583e+00 -4.421878583e+00 3.16 -4.360069548e+00 -4.360069548e+00 3.18 -4.296169814e+00 -4.296169814e+00 3.20 -4.230398398e+00 -4.230398398e+00 3.22 -4.162949221e+00 -4.162949221e+00 3.24 -4.093997034e+00 -4.093997034e+00 3.26 -4.023709376e+00 -4.023709376e+00 3.28 -3.952251628e+00 -3.952251628e+00 3.30 -3.879790436e+00 -3.879790436e+00 3.32 -3.806495031e+00 -3.806495031e+00 3.34 -3.732536057e+00 -3.732536057e+00 3.36 -3.658082341e+00 -3.658082341e+00 3.38 -3.583296708e+00 -3.583296708e+00 3.40 -3.508331249e+00 -3.508331249e+00 3.42 -3.433328589e+00 -3.433328589e+00 3.44 -3.358414847e+00 -3.358414847e+00 3.46 -3.283704296e+00 -3.283704296e+00 3.48 -3.209299297e+00 -3.209299297e+00 3.50 -3.135293820e+00 -3.135293820e+00 3.52 -3.061808083e+00 -3.061808083e+00 3.54 -2.988974837e+00 -2.988974837e+00 3.56 -2.916906846e+00 -2.916906846e+00 3.58 -2.845697788e+00 -2.845697788e+00 3.60 -2.775423809e+00 -2.775423809e+00 3.62 -2.706144858e+00 -2.706144858e+00 3.64 -2.637905950e+00 -2.637905950e+00 3.66 -2.570738471e+00 -2.570738471e+00 3.68 -2.504661626e+00 -2.504661626e+00 3.70 -2.439684106e+00 -2.439684106e+00 3.72 -2.375806012e+00 -2.375806012e+00 3.74 -2.313021038e+00 -2.313021038e+00 3.76 -2.251318849e+00 -2.251318849e+00 3.78 -2.190687518e+00 -2.190687518e+00 3.80 -2.131115797e+00 -2.131115797e+00 3.82 -2.072594927e+00 -2.072594927e+00 3.84 -2.015119696e+00 -2.015119696e+00 3.86 -1.958688494e+00 -1.958688494e+00 3.88 -1.903302286e+00 -1.903302286e+00 3.90 -1.848962687e+00 -1.848962687e+00 3.92 -1.795668253e+00 -1.795668253e+00 3.94 -1.743417345e+00 -1.743417345e+00 3.96 -1.692197997e+00 -1.692197997e+00 3.98 -1.641993153e+00 -1.641993153e+00 4.00 -1.592779633e+00 -1.592779633e+00 4.02 -1.544529890e+00 -1.544529890e+00 4.04 -1.497214669e+00 -1.497214669e+00 4.06 -1.450806163e+00 -1.450806163e+00 4.08 -1.405281269e+00 -1.405281269e+00 4.10 -1.360620868e+00 -1.360620868e+00 4.12 -1.316827523e+00 -1.316827523e+00 4.14 -1.273902700e+00 -1.273902700e+00 4.16 -1.231864216e+00 -1.231864216e+00 4.18 -1.190740939e+00 -1.190740939e+00 4.20 -1.150570902e+00 -1.150570902e+00 4.22 -1.111398433e+00 -1.111398433e+00 4.24 -1.073270584e+00 -1.073270584e+00 4.26 -1.036233233e+00 -1.036233233e+00 4.28 -1.000327275e+00 -1.000327275e+00 4.30 -9.655852553e-01 -9.655852553e-01 4.32 -9.320287584e-01 -9.320287584e-01 4.34 -8.996666989e-01 -8.996666989e-01 4.36 -8.684945550e-01 -8.684945550e-01 4.38 -8.384944742e-01 -8.384944742e-01 4.40 -8.096361083e-01 -8.096361083e-01 4.42 -7.818780015e-01 -7.818780015e-01 4.44 -7.551693459e-01 -7.551693459e-01 4.46 -7.294519342e-01 -7.294519342e-01 4.48 -7.046621636e-01 -7.046621636e-01 4.50 -6.807329791e-01 -6.807329791e-01 4.52 -6.575956776e-01 -6.575956776e-01 4.54 -6.351815305e-01 -6.351815305e-01 4.56 -6.134232112e-01 -6.134232112e-01 4.58 -5.922560432e-01 -5.922560432e-01 4.60 -5.716190954e-01 -5.716190954e-01 4.62 -5.514561625e-01 -5.514561625e-01 4.64 -5.317166663e-01 -5.317166663e-01 4.66 -5.123565007e-01 -5.123565007e-01 4.68 -4.933388309e-01 -4.933388309e-01 4.70 -4.746348306e-01 -4.746348306e-01 4.72 -4.562243228e-01 -4.562243228e-01 4.74 -4.380962663e-01 -4.380962663e-01 4.76 -4.202490148e-01 -4.202490148e-01 4.78 -4.026902729e-01 -4.026902729e-01 4.80 -3.854335552e-01 -3.854335552e-01 4.82 -3.685103730e-01 -3.685103730e-01 4.84 -3.519485527e-01 -3.519485527e-01 4.86 -3.357848623e-01 -3.357848623e-01 4.88 -3.200592883e-01 -3.200592883e-01 4.90 -3.048128938e-01 -3.048128938e-01 4.92 -2.900856447e-01 -2.900856447e-01 4.94 -2.759143583e-01 -2.759143583e-01 4.96 -2.623309148e-01 -2.623309148e-01 4.98 -2.493608370e-01 -2.493608370e-01 5.00 -2.370223067e-01 -2.370223067e-01 5.02 -2.253256339e-01 -2.253256339e-01 5.04 -2.142731651e-01 -2.142731651e-01 5.06 -2.038595762e-01 -2.038595762e-01 5.08 -1.940724855e-01 -1.940724855e-01 5.10 -1.848933041e-01 -1.848933041e-01 5.12 -1.762982434e-01 -1.762982434e-01 5.14 -1.682594043e-01 -1.682594043e-01 5.16 -1.607458792e-01 -1.607458792e-01 5.18 -1.537248111e-01 -1.537248111e-01 5.20 -1.471623517e-01 -1.471623517e-01 5.22 -1.410243365e-01 -1.410243365e-01 5.24 -1.352774853e-01 -1.352774853e-01 5.26 -1.298897438e-01 -1.298897438e-01 5.28 -1.248306165e-01 -1.248306165e-01 5.30 -1.200715047e-01 -1.200715047e-01 5.32 -1.155859236e-01 -1.155859236e-01 5.34 -1.113496166e-01 -1.113496166e-01 5.36 -1.073405835e-01 -1.073405835e-01 5.38 -1.035390398e-01 -1.035390398e-01 5.40 -9.992732181e-02 -9.992732181e-02 5.42 -9.648974960e-02 -9.648974960e-02 5.44 -9.321246080e-02 -9.321246080e-02 5.46 -9.008322410e-02 -9.008322410e-02 5.48 -8.709123971e-02 -8.709123971e-02 5.50 -8.422694666e-02 -8.422694666e-02 5.52 -8.148182881e-02 -8.148182881e-02 5.54 -7.884823209e-02 -7.884823209e-02 5.56 -7.631920328e-02 -7.631920328e-02 5.58 -7.388835129e-02 -7.388835129e-02 5.60 -7.154981730e-02 -7.154981730e-02 5.62 -6.929851107e-02 -6.929851107e-02 5.64 -6.712888073e-02 -6.712888073e-02 5.66 -6.503558885e-02 -6.503558885e-02 5.68 -6.301362173e-02 -6.301362173e-02 5.70 -6.105823615e-02 -6.105823615e-02 5.72 -5.916491851e-02 -5.916491851e-02 5.74 -5.732935382e-02 -5.732935382e-02 5.76 -5.554740225e-02 -5.554740225e-02 5.78 -5.381508121e-02 -5.381508121e-02 5.80 -5.212855128e-02 -5.212855128e-02 5.82 -5.048410505e-02 -5.048410505e-02 5.84 -4.887815820e-02 -4.887815820e-02 5.86 -4.730724281e-02 -4.730724281e-02 5.88 -4.576800320e-02 -4.576800320e-02 5.90 -4.425719477e-02 -4.425719477e-02 5.92 -4.277168669e-02 -4.277168669e-02 5.94 -4.130846919e-02 -4.130846919e-02 5.96 -3.986466633e-02 -3.986466633e-02 5.98 -3.843755504e-02 -3.843755504e-02 6.00 -3.702459102e-02 -3.702459102e-02