# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ag2CuPt # 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 2022-05-24 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 5.457502167e+02 5.457502167e+02 1.00 5.007479079e+02 5.007479079e+02 1.02 4.600052225e+02 4.600052225e+02 1.04 4.230641641e+02 4.230641641e+02 1.06 3.895183945e+02 3.895183945e+02 1.08 3.590066082e+02 3.590066082e+02 1.10 3.312162226e+02 3.312162226e+02 1.12 3.058652311e+02 3.058652311e+02 1.14 2.827017850e+02 2.827017850e+02 1.16 2.615105495e+02 2.615105495e+02 1.18 2.420978629e+02 2.420978629e+02 1.20 2.242908393e+02 2.242908393e+02 1.22 2.079304413e+02 2.079304413e+02 1.24 1.928840642e+02 1.928840642e+02 1.26 1.790276625e+02 1.790276625e+02 1.28 1.662513272e+02 1.662513272e+02 1.30 1.544551845e+02 1.544551845e+02 1.32 1.435517307e+02 1.435517307e+02 1.34 1.334625825e+02 1.334625825e+02 1.36 1.241165626e+02 1.241165626e+02 1.38 1.154494260e+02 1.154494260e+02 1.40 1.074044694e+02 1.074044694e+02 1.42 9.992974690e+01 9.992974690e+01 1.44 9.297944512e+01 9.297944512e+01 1.46 8.650930779e+01 8.650930779e+01 1.48 8.048146325e+01 8.048146325e+01 1.50 7.486296622e+01 7.486296622e+01 1.52 6.962223926e+01 6.962223926e+01 1.54 6.472966356e+01 6.472966356e+01 1.56 6.015986218e+01 6.015986218e+01 1.58 5.588942366e+01 5.588942366e+01 1.60 5.189740992e+01 5.189740992e+01 1.62 4.816365178e+01 4.816365178e+01 1.64 4.467020767e+01 4.467020767e+01 1.66 4.139977525e+01 4.139977525e+01 1.68 3.833732859e+01 3.833732859e+01 1.70 3.546973807e+01 3.546973807e+01 1.72 3.278390840e+01 3.278390840e+01 1.74 3.026805259e+01 3.026805259e+01 1.76 2.791050597e+01 2.791050597e+01 1.78 2.570070842e+01 2.570070842e+01 1.80 2.363013461e+01 2.363013461e+01 1.82 2.169020576e+01 2.169020576e+01 1.84 1.987272706e+01 1.987272706e+01 1.86 1.813705950e+01 1.813705950e+01 1.88 1.654210429e+01 1.654210429e+01 1.90 1.503257999e+01 1.503257999e+01 1.92 1.362731489e+01 1.362731489e+01 1.94 1.230599391e+01 1.230599391e+01 1.96 1.106401953e+01 1.106401953e+01 1.98 9.896361162e+00 9.896361162e+00 2.00 8.799892176e+00 8.799892176e+00 2.02 7.771454895e+00 7.771454895e+00 2.04 6.807679449e+00 6.807679449e+00 2.06 5.905249622e+00 5.905249622e+00 2.08 5.061103062e+00 5.061103062e+00 2.10 4.272618705e+00 4.272618705e+00 2.12 3.536771988e+00 3.536771988e+00 2.14 2.851157278e+00 2.851157278e+00 2.16 2.213104573e+00 2.213104573e+00 2.18 1.620411099e+00 1.620411099e+00 2.20 1.070916841e+00 1.070916841e+00 2.22 5.623195386e-01 5.623195386e-01 2.24 9.256068395e-02 9.256068395e-02 2.26 -3.403663533e-01 -3.403663533e-01 2.28 -7.384207902e-01 -7.384207902e-01 2.30 -1.103497118e+00 -1.103497118e+00 2.32 -1.437119827e+00 -1.437119827e+00 2.34 -1.740649742e+00 -1.740649742e+00 2.36 -2.016277472e+00 -2.016277472e+00 2.38 -2.265769239e+00 -2.265769239e+00 2.40 -2.490675460e+00 -2.490675460e+00 2.42 -2.692499799e+00 -2.692499799e+00 2.44 -2.872603008e+00 -2.872603008e+00 2.46 -3.032322396e+00 -3.032322396e+00 2.48 -3.173009909e+00 -3.173009909e+00 2.50 -3.296059857e+00 -3.296059857e+00 2.52 -3.402437608e+00 -3.402437608e+00 2.54 -3.493278160e+00 -3.493278160e+00 2.56 -3.569327245e+00 -3.569327245e+00 2.58 -3.631895253e+00 -3.631895253e+00 2.60 -3.682574304e+00 -3.682574304e+00 2.62 -3.721683869e+00 -3.721683869e+00 2.64 -3.750099635e+00 -3.750099635e+00 2.66 -3.768648274e+00 -3.768648274e+00 2.68 -3.778196394e+00 -3.778196394e+00 2.70 -3.779449669e+00 -3.779449669e+00 2.72 -3.773116735e+00 -3.773116735e+00 2.74 -3.759865238e+00 -3.759865238e+00 2.76 -3.740320586e+00 -3.740320586e+00 2.78 -3.715295121e+00 -3.715295121e+00 2.80 -3.685272979e+00 -3.685272979e+00 2.82 -3.650591369e+00 -3.650591369e+00 2.84 -3.611733764e+00 -3.611733764e+00 2.86 -3.569150290e+00 -3.569150290e+00 2.88 -3.523243077e+00 -3.523243077e+00 2.90 -3.473696816e+00 -3.473696816e+00 2.92 -3.421796477e+00 -3.421796477e+00 2.94 -3.367696756e+00 -3.367696756e+00 2.96 -3.311630792e+00 -3.311630792e+00 2.98 -3.253288685e+00 -3.253288685e+00 3.00 -3.193578456e+00 -3.193578456e+00 3.02 -3.132808205e+00 -3.132808205e+00 3.04 -3.071376803e+00 -3.071376803e+00 3.06 -3.009536638e+00 -3.009536638e+00 3.08 -2.947223354e+00 -2.947223354e+00 3.10 -2.884548431e+00 -2.884548431e+00 3.12 -2.821594220e+00 -2.821594220e+00 3.14 -2.758615871e+00 -2.758615871e+00 3.16 -2.695758324e+00 -2.695758324e+00 3.18 -2.633131391e+00 -2.633131391e+00 3.20 -2.570836749e+00 -2.570836749e+00 3.22 -2.508965763e+00 -2.508965763e+00 3.24 -2.447594025e+00 -2.447594025e+00 3.26 -2.387128649e+00 -2.387128649e+00 3.28 -2.327399995e+00 -2.327399995e+00 3.30 -2.268350790e+00 -2.268350790e+00 3.32 -2.210033134e+00 -2.210033134e+00 3.34 -2.152493529e+00 -2.152493529e+00 3.36 -2.095772890e+00 -2.095772890e+00 3.38 -2.039904119e+00 -2.039904119e+00 3.40 -1.984938646e+00 -1.984938646e+00 3.42 -1.930992645e+00 -1.930992645e+00 3.44 -1.877927848e+00 -1.877927848e+00 3.46 -1.825707439e+00 -1.825707439e+00 3.48 -1.774309024e+00 -1.774309024e+00 3.50 -1.723849763e+00 -1.723849763e+00 3.52 -1.674402957e+00 -1.674402957e+00 3.54 -1.625964522e+00 -1.625964522e+00 3.56 -1.578497297e+00 -1.578497297e+00 3.58 -1.531931780e+00 -1.531931780e+00 3.60 -1.486255689e+00 -1.486255689e+00 3.62 -1.441536858e+00 -1.441536858e+00 3.64 -1.397831567e+00 -1.397831567e+00 3.66 -1.355143314e+00 -1.355143314e+00 3.68 -1.313447846e+00 -1.313447846e+00 3.70 -1.272727094e+00 -1.272727094e+00 3.72 -1.232976020e+00 -1.232976020e+00 3.74 -1.194187729e+00 -1.194187729e+00 3.76 -1.156341655e+00 -1.156341655e+00 3.78 -1.119425823e+00 -1.119425823e+00 3.80 -1.083421781e+00 -1.083421781e+00 3.82 -1.048313548e+00 -1.048313548e+00 3.84 -1.014074701e+00 -1.014074701e+00 3.86 -9.806933750e-01 -9.806933750e-01 3.88 -9.481738877e-01 -9.481738877e-01 3.90 -9.164570807e-01 -9.164570807e-01 3.92 -8.855221312e-01 -8.855221312e-01 3.94 -8.553425964e-01 -8.553425964e-01 3.96 -8.257853658e-01 -8.257853658e-01 3.98 -7.970068080e-01 -7.970068080e-01 4.00 -7.691417538e-01 -7.691417538e-01 4.02 -7.423060889e-01 -7.423060889e-01 4.04 -7.166116567e-01 -7.166116567e-01 4.06 -6.920241780e-01 -6.920241780e-01 4.08 -6.684422847e-01 -6.684422847e-01 4.10 -6.459515960e-01 -6.459515960e-01 4.12 -6.242481838e-01 -6.242481838e-01 4.14 -6.029889695e-01 -6.029889695e-01 4.16 -5.819271302e-01 -5.819271302e-01 4.18 -5.608928105e-01 -5.608928105e-01 4.20 -5.397770998e-01 -5.397770998e-01 4.22 -5.185187635e-01 -5.185187635e-01 4.24 -4.970741606e-01 -4.970741606e-01 4.26 -4.754371311e-01 -4.754371311e-01 4.28 -4.536198404e-01 -4.536198404e-01 4.30 -4.324611592e-01 -4.324611592e-01 4.32 -4.116248048e-01 -4.116248048e-01 4.34 -3.907909132e-01 -3.907909132e-01 4.36 -3.701356236e-01 -3.701356236e-01 4.38 -3.498228163e-01 -3.498228163e-01 4.40 -3.299790949e-01 -3.299790949e-01 4.42 -3.107001937e-01 -3.107001937e-01 4.44 -2.920563767e-01 -2.920563767e-01 4.46 -2.740969898e-01 -2.740969898e-01 4.48 -2.568542964e-01 -2.568542964e-01 4.50 -2.403466908e-01 -2.403466908e-01 4.52 -2.245813959e-01 -2.245813959e-01 4.54 -2.095567167e-01 -2.095567167e-01 4.56 -1.952638585e-01 -1.952638585e-01 4.58 -1.816833181e-01 -1.816833181e-01 4.60 -1.689471520e-01 -1.689471520e-01 4.62 -1.570170425e-01 -1.570170425e-01 4.64 -1.457173690e-01 -1.457173690e-01 4.66 -1.350291040e-01 -1.350291040e-01 4.68 -1.249270785e-01 -1.249270785e-01 4.70 -1.153856128e-01 -1.153856128e-01 4.72 -1.063789022e-01 -1.063789022e-01 4.74 -9.788130560e-02 -9.788130560e-02 4.76 -8.986757366e-02 -8.986757366e-02 4.78 -8.231302016e-02 -8.231302016e-02 4.80 -7.518762415e-02 -7.518762415e-02 4.82 -6.865227283e-02 -6.865227283e-02 4.84 -6.256280195e-02 -6.256280195e-02 4.86 -5.682304471e-02 -5.682304471e-02 4.88 -5.141385819e-02 -5.141385819e-02 4.90 -4.631696468e-02 -4.631696468e-02 4.92 -4.151451818e-02 -4.151451818e-02 4.94 -3.693897193e-02 -3.693897193e-02 4.96 -3.336265639e-02 -3.336265639e-02 4.98 -3.070942957e-02 -3.070942957e-02 5.00 -2.816501664e-02 -2.816501664e-02 5.02 -2.577036689e-02 -2.577036689e-02 5.04 -2.351718468e-02 -2.351718468e-02 5.06 -2.139727647e-02 -2.139727647e-02 5.08 -1.940291091e-02 -1.940291091e-02 5.10 -1.752679433e-02 -1.752679433e-02 5.12 -1.576204735e-02 -1.576204735e-02 5.14 -1.410218228e-02 -1.410218228e-02 5.16 -1.254108158e-02 -1.254108158e-02 5.18 -1.107297738e-02 -1.107297738e-02 5.20 -9.692432197e-03 -9.692432197e-03 5.22 -8.394320580e-03 -8.394320580e-03 5.24 -7.173811416e-03 -7.173811416e-03 5.26 -6.026336633e-03 -6.026336633e-03 5.28 -4.948569227e-03 -4.948569227e-03 5.30 -3.957412429e-03 -3.957412429e-03 5.32 -3.492582385e-03 -3.492582385e-03 5.34 -3.071825226e-03 -3.071825226e-03 5.36 -2.680949231e-03 -2.680949231e-03 5.38 -2.314595805e-03 -2.314595805e-03 5.40 -1.971257634e-03 -1.971257634e-03 5.42 -1.649518258e-03 -1.649518258e-03 5.44 -1.348046670e-03 -1.348046670e-03 5.46 -1.065592238e-03 -1.065592238e-03 5.48 -8.009799633e-04 -8.009799633e-04 5.50 -5.531059987e-04 -5.531059987e-04 5.52 -3.209333821e-04 -3.209333821e-04 5.54 -1.020970649e-04 -1.020970649e-04 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00