# 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 = AuCoPt2 # 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 3.412468646e+02 3.412468646e+02 1.30 3.178144151e+02 3.178144151e+02 1.32 2.959586115e+02 2.959586115e+02 1.34 2.755624745e+02 2.755624745e+02 1.36 2.565179286e+02 2.565179286e+02 1.38 2.387241048e+02 2.387241048e+02 1.40 2.220895026e+02 2.220895026e+02 1.42 2.065348539e+02 2.065348539e+02 1.44 1.919913986e+02 1.919913986e+02 1.46 1.783958384e+02 1.783958384e+02 1.48 1.656867404e+02 1.656867404e+02 1.50 1.538033512e+02 1.538033512e+02 1.52 1.426852616e+02 1.426852616e+02 1.54 1.322725654e+02 1.322725654e+02 1.56 1.225069834e+02 1.225069834e+02 1.58 1.133337012e+02 1.133337012e+02 1.60 1.047030492e+02 1.047030492e+02 1.62 9.657145687e+01 9.657145687e+01 1.64 8.890164867e+01 8.890164867e+01 1.66 8.166226588e+01 8.166226588e+01 1.68 7.482711746e+01 7.482711746e+01 1.70 6.837422568e+01 6.837422568e+01 1.72 6.228463769e+01 6.228463769e+01 1.74 5.654344423e+01 5.654344423e+01 1.76 5.114279678e+01 5.114279678e+01 1.78 4.614544031e+01 4.614544031e+01 1.80 4.156502249e+01 4.156502249e+01 1.82 3.736362801e+01 3.736362801e+01 1.84 3.350785880e+01 3.350785880e+01 1.86 2.996945231e+01 2.996945231e+01 1.88 2.672472748e+01 2.672472748e+01 1.90 2.375317467e+01 2.375317467e+01 1.92 2.103583389e+01 2.103583389e+01 1.94 1.855415318e+01 1.855415318e+01 1.96 1.628965368e+01 1.628965368e+01 1.98 1.422421210e+01 1.422421210e+01 2.00 1.234053382e+01 1.234053382e+01 2.02 1.062251665e+01 1.062251665e+01 2.04 9.055435765e+00 9.055435765e+00 2.06 7.625992297e+00 7.625992297e+00 2.08 6.322263386e+00 6.322263386e+00 2.10 5.133572363e+00 5.133572363e+00 2.12 4.050308458e+00 4.050308458e+00 2.14 3.063744679e+00 3.063744679e+00 2.16 2.165900237e+00 2.165900237e+00 2.18 1.349465369e+00 1.349465369e+00 2.20 6.077727615e-01 6.077727615e-01 2.22 -6.521549517e-02 -6.521549517e-02 2.24 -6.749295493e-01 -6.749295493e-01 2.26 -1.226230607e+00 -1.226230607e+00 2.28 -1.723464666e+00 -1.723464666e+00 2.30 -2.170525720e+00 -2.170525720e+00 2.32 -2.570923883e+00 -2.570923883e+00 2.34 -2.927855240e+00 -2.927855240e+00 2.36 -3.244270750e+00 -3.244270750e+00 2.38 -3.522941094e+00 -3.522941094e+00 2.40 -3.766513383e+00 -3.766513383e+00 2.42 -3.977554886e+00 -3.977554886e+00 2.44 -4.158579651e+00 -4.158579651e+00 2.46 -4.312057507e+00 -4.312057507e+00 2.48 -4.440410092e+00 -4.440410092e+00 2.50 -4.546237903e+00 -4.546237903e+00 2.52 -4.634295551e+00 -4.634295551e+00 2.54 -4.706726022e+00 -4.706726022e+00 2.56 -4.764859938e+00 -4.764859938e+00 2.58 -4.810037323e+00 -4.810037323e+00 2.60 -4.843545295e+00 -4.843545295e+00 2.62 -4.866560272e+00 -4.866560272e+00 2.64 -4.880113763e+00 -4.880113763e+00 2.66 -4.885095371e+00 -4.885095371e+00 2.68 -4.882159156e+00 -4.882159156e+00 2.70 -4.871813397e+00 -4.871813397e+00 2.72 -4.854461734e+00 -4.854461734e+00 2.74 -4.830431181e+00 -4.830431181e+00 2.76 -4.799997032e+00 -4.799997032e+00 2.78 -4.763406378e+00 -4.763406378e+00 2.80 -4.720941892e+00 -4.720941892e+00 2.82 -4.672801193e+00 -4.672801193e+00 2.84 -4.619148378e+00 -4.619148378e+00 2.86 -4.560162134e+00 -4.560162134e+00 2.88 -4.496080760e+00 -4.496080760e+00 2.90 -4.427220730e+00 -4.427220730e+00 2.92 -4.353992521e+00 -4.353992521e+00 2.94 -4.276909819e+00 -4.276909819e+00 2.96 -4.196586052e+00 -4.196586052e+00 2.98 -4.113713774e+00 -4.113713774e+00 3.00 -4.029024439e+00 -4.029024439e+00 3.02 -3.943242384e+00 -3.943242384e+00 3.04 -3.857036649e+00 -3.857036649e+00 3.06 -3.770978941e+00 -3.770978941e+00 3.08 -3.685517340e+00 -3.685517340e+00 3.10 -3.600968562e+00 -3.600968562e+00 3.12 -3.517526545e+00 -3.517526545e+00 3.14 -3.435282257e+00 -3.435282257e+00 3.16 -3.354248728e+00 -3.354248728e+00 3.18 -3.274386348e+00 -3.274386348e+00 3.20 -3.195625086e+00 -3.195625086e+00 3.22 -3.117882094e+00 -3.117882094e+00 3.24 -3.041074510e+00 -3.041074510e+00 3.26 -2.965128016e+00 -2.965128016e+00 3.28 -2.889982027e+00 -2.889982027e+00 3.30 -2.815596238e+00 -2.815596238e+00 3.32 -2.742019884e+00 -2.742019884e+00 3.34 -2.669366174e+00 -2.669366174e+00 3.36 -2.597738106e+00 -2.597738106e+00 3.38 -2.527228606e+00 -2.527228606e+00 3.40 -2.457922040e+00 -2.457922040e+00 3.42 -2.389894707e+00 -2.389894707e+00 3.44 -2.323214667e+00 -2.323214667e+00 3.46 -2.257941244e+00 -2.257941244e+00 3.48 -2.194124397e+00 -2.194124397e+00 3.50 -2.131804139e+00 -2.131804139e+00 3.52 -2.071010102e+00 -2.071010102e+00 3.54 -2.011761298e+00 -2.011761298e+00 3.56 -1.954066097e+00 -1.954066097e+00 3.58 -1.897922422e+00 -1.897922422e+00 3.60 -1.843318153e+00 -1.843318153e+00 3.62 -1.790231727e+00 -1.790231727e+00 3.64 -1.738632926e+00 -1.738632926e+00 3.66 -1.688483838e+00 -1.688483838e+00 3.68 -1.639739988e+00 -1.639739988e+00 3.70 -1.592351584e+00 -1.592351584e+00 3.72 -1.546264869e+00 -1.546264869e+00 3.74 -1.501423493e+00 -1.501423493e+00 3.76 -1.457769875e+00 -1.457769875e+00 3.78 -1.415246453e+00 -1.415246453e+00 3.80 -1.373796795e+00 -1.373796795e+00 3.82 -1.333366517e+00 -1.333366517e+00 3.84 -1.293903985e+00 -1.293903985e+00 3.86 -1.255360807e+00 -1.255360807e+00 3.88 -1.217692147e+00 -1.217692147e+00 3.90 -1.180856899e+00 -1.180856899e+00 3.92 -1.144817782e+00 -1.144817782e+00 3.94 -1.109541423e+00 -1.109541423e+00 3.96 -1.074998471e+00 -1.074998471e+00 3.98 -1.041163816e+00 -1.041163816e+00 4.00 -1.008016917e+00 -1.008016917e+00 4.02 -9.755422338e-01 -9.755422338e-01 4.04 -9.437297392e-01 -9.437297392e-01 4.06 -9.125754175e-01 -9.125754175e-01 4.08 -8.820816437e-01 -8.820816437e-01 4.10 -8.522573044e-01 -8.522573044e-01 4.12 -8.231175618e-01 -8.231175618e-01 4.14 -7.946830623e-01 -7.946830623e-01 4.16 -7.669786700e-01 -7.669786700e-01 4.18 -7.400316609e-01 -7.400316609e-01 4.20 -7.138695409e-01 -7.138695409e-01 4.22 -6.885176770e-01 -6.885176770e-01 4.24 -6.639969769e-01 -6.639969769e-01 4.26 -6.403218399e-01 -6.403218399e-01 4.28 -6.174985519e-01 -6.174985519e-01 4.30 -5.955242171e-01 -5.955242171e-01 4.32 -5.743862439e-01 -5.743862439e-01 4.34 -5.540623406e-01 -5.540623406e-01 4.36 -5.345209485e-01 -5.345209485e-01 4.38 -5.157220254e-01 -5.157220254e-01 4.40 -4.976180968e-01 -4.976180968e-01 4.42 -4.801554958e-01 -4.801554958e-01 4.44 -4.632757147e-01 -4.632757147e-01 4.46 -4.469168003e-01 -4.469168003e-01 4.48 -4.310147322e-01 -4.310147322e-01 4.50 -4.155047421e-01 -4.155047421e-01 4.52 -4.003225529e-01 -4.003225529e-01 4.54 -3.854055392e-01 -3.854055392e-01 4.56 -3.706938307e-01 -3.706938307e-01 4.58 -3.561313942e-01 -3.561313942e-01 4.60 -3.416671330e-01 -3.416671330e-01 4.62 -3.272560383e-01 -3.272560383e-01 4.64 -3.128604129e-01 -3.128604129e-01 4.66 -2.984511610e-01 -2.984511610e-01 4.68 -2.840091091e-01 -2.840091091e-01 4.70 -2.695262861e-01 -2.695262861e-01 4.72 -2.550070541e-01 -2.550070541e-01 4.74 -2.404689514e-01 -2.404689514e-01 4.76 -2.259430911e-01 -2.259430911e-01 4.78 -2.114739580e-01 -2.114739580e-01 4.80 -1.971184768e-01 -1.971184768e-01 4.82 -1.829442844e-01 -1.829442844e-01 4.84 -1.690271962e-01 -1.690271962e-01 4.86 -1.554479986e-01 -1.554479986e-01 4.88 -1.422887501e-01 -1.422887501e-01 4.90 -1.296288794e-01 -1.296288794e-01 4.92 -1.175414041e-01 -1.175414041e-01 4.94 -1.060895902e-01 -1.060895902e-01 4.96 -9.532432461e-02 -9.532432461e-02 4.98 -8.528238172e-02 -8.528238172e-02 5.00 -7.598565961e-02 -7.598565961e-02 5.02 -6.744135168e-02 -6.744135168e-02 5.04 -5.964292388e-02 -5.964292388e-02 5.06 -5.257172393e-02 -5.257172393e-02 5.08 -4.619900383e-02 -4.619900383e-02 5.10 -4.048811173e-02 -4.048811173e-02 5.12 -3.539670793e-02 -3.539670793e-02 5.14 -3.087884513e-02 -3.087884513e-02 5.16 -2.688771080e-02 -2.688771080e-02 5.18 -2.337559165e-02 -2.337559165e-02 5.20 -2.029471791e-02 -2.029471791e-02 5.22 -1.759966767e-02 -1.759966767e-02 5.24 -1.524789720e-02 -1.524789720e-02 5.26 -1.319996316e-02 -1.319996316e-02 5.28 -1.141955317e-02 -1.141955317e-02 5.30 -9.874326005e-03 -9.874326005e-03 5.32 -8.535140555e-03 -8.535140555e-03 5.34 -7.375886165e-03 -7.375886165e-03 5.36 -6.373335751e-03 -6.373335751e-03 5.38 -5.506950984e-03 -5.506950984e-03 5.40 -4.758661811e-03 -4.758661811e-03 5.42 -4.112636342e-03 -4.112636342e-03 5.44 -3.555052210e-03 -3.555052210e-03 5.46 -3.073876845e-03 -3.073876845e-03 5.48 -2.658661276e-03 -2.658661276e-03 5.50 -2.300350078e-03 -2.300350078e-03 5.52 -1.991108589e-03 -1.991108589e-03 5.54 -1.724167550e-03 -1.724167550e-03 5.56 -1.493684621e-03 -1.493684621e-03 5.58 -1.294621812e-03 -1.294621812e-03 5.60 -1.122637641e-03 -1.122637641e-03 5.62 -9.739926941e-04 -9.739926941e-04 5.64 -8.454672439e-04 -8.454672439e-04 5.66 -7.342896348e-04 -7.342896348e-04 5.68 -6.380741804e-04 -6.380741804e-04 5.70 -5.547674366e-04 -5.547674366e-04 5.72 -4.826018032e-04 -4.826018032e-04 5.74 -4.200555134e-04 -4.200555134e-04 5.76 -3.658181717e-04 -3.658181717e-04 5.78 -3.187611002e-04 -3.187611002e-04 5.80 -2.779118403e-04 -2.779118403e-04 5.82 -2.424322400e-04 -2.424322400e-04 5.84 -2.115996286e-04 -2.115996286e-04 5.86 -1.847906504e-04 -1.847906504e-04 5.88 -1.614673817e-04 -1.614673817e-04 5.90 -1.411654102e-04 -1.411654102e-04 5.92 -1.234835991e-04 -1.234835991e-04 5.94 -1.080752959e-04 -1.080752959e-04 5.96 -9.464078237e-05 -9.464078237e-05 5.98 -8.292078648e-05 -8.292078648e-05 6.00 -7.269090811e-05 -7.269090811e-05