# 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 = FeMg2Ta # 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 3.944266250e+02 3.944266250e+02 1.30 3.645361800e+02 3.645361800e+02 1.32 3.369444918e+02 3.369444918e+02 1.34 3.114590713e+02 3.114590713e+02 1.36 2.879079420e+02 2.879079420e+02 1.38 2.661376395e+02 2.661376395e+02 1.40 2.460103213e+02 2.460103213e+02 1.42 2.274007119e+02 2.274007119e+02 1.44 2.101933898e+02 2.101933898e+02 1.46 1.942806930e+02 1.942806930e+02 1.48 1.795614196e+02 1.795614196e+02 1.50 1.659403858e+02 1.659403858e+02 1.52 1.533287260e+02 1.533287260e+02 1.54 1.416445645e+02 1.416445645e+02 1.56 1.308136011e+02 1.308136011e+02 1.58 1.207692077e+02 1.207692077e+02 1.60 1.114518899e+02 1.114518899e+02 1.62 1.028082704e+02 1.028082704e+02 1.64 9.478993840e+01 9.478993840e+01 1.66 8.735325212e+01 8.735325212e+01 1.68 8.046196191e+01 8.046196191e+01 1.70 7.407793200e+01 7.407793200e+01 1.72 6.816460067e+01 6.816460067e+01 1.74 6.268788115e+01 6.268788115e+01 1.76 5.761606233e+01 5.761606233e+01 1.78 5.291965263e+01 5.291965263e+01 1.80 4.857175069e+01 4.857175069e+01 1.82 4.454751219e+01 4.454751219e+01 1.84 4.082390571e+01 4.082390571e+01 1.86 3.737950146e+01 3.737950146e+01 1.88 3.419428343e+01 3.419428343e+01 1.90 3.124948635e+01 3.124948635e+01 1.92 2.852744904e+01 2.852744904e+01 1.94 2.601149133e+01 2.601149133e+01 1.96 2.368583072e+01 2.368583072e+01 1.98 2.153555742e+01 2.153555742e+01 2.00 1.954667013e+01 1.954667013e+01 2.02 1.770615883e+01 1.770615883e+01 2.04 1.600210507e+01 1.600210507e+01 2.06 1.442375497e+01 1.442375497e+01 2.08 1.296152465e+01 1.296152465e+01 2.10 1.160692705e+01 1.160692705e+01 2.12 1.035243558e+01 1.035243558e+01 2.14 9.191319811e+00 9.191319811e+00 2.16 8.117486161e+00 8.117486161e+00 2.18 7.125339385e+00 7.125339385e+00 2.20 6.209673610e+00 6.209673610e+00 2.22 5.365587358e+00 5.365587358e+00 2.24 4.588423001e+00 4.588423001e+00 2.26 3.873724800e+00 3.873724800e+00 2.28 3.217236434e+00 3.217236434e+00 2.30 2.614972220e+00 2.614972220e+00 2.32 2.062740505e+00 2.062740505e+00 2.34 1.556469418e+00 1.556469418e+00 2.36 1.092310252e+00 1.092310252e+00 2.38 6.666796222e-01 6.666796222e-01 2.40 2.764226687e-01 2.764226687e-01 2.42 -8.080276523e-02 -8.080276523e-02 2.44 -4.071085211e-01 -4.071085211e-01 2.46 -7.045387292e-01 -7.045387292e-01 2.48 -9.750354481e-01 -9.750354481e-01 2.50 -1.220421622e+00 -1.220421622e+00 2.52 -1.442398820e+00 -1.442398820e+00 2.54 -1.642554353e+00 -1.642554353e+00 2.56 -1.822372114e+00 -1.822372114e+00 2.58 -1.983243237e+00 -1.983243237e+00 2.60 -2.126474894e+00 -2.126474894e+00 2.62 -2.253296619e+00 -2.253296619e+00 2.64 -2.364866921e+00 -2.364866921e+00 2.66 -2.462274850e+00 -2.462274850e+00 2.68 -2.546545816e+00 -2.546545816e+00 2.70 -2.618645776e+00 -2.618645776e+00 2.72 -2.679490110e+00 -2.679490110e+00 2.74 -2.729941363e+00 -2.729941363e+00 2.76 -2.770820325e+00 -2.770820325e+00 2.78 -2.802915441e+00 -2.802915441e+00 2.80 -2.826988682e+00 -2.826988682e+00 2.82 -2.843776546e+00 -2.843776546e+00 2.84 -2.853990675e+00 -2.853990675e+00 2.86 -2.858313700e+00 -2.858313700e+00 2.88 -2.857371395e+00 -2.857371395e+00 2.90 -2.851647051e+00 -2.851647051e+00 2.92 -2.841562065e+00 -2.841562065e+00 2.94 -2.827501522e+00 -2.827501522e+00 2.96 -2.809806585e+00 -2.809806585e+00 2.98 -2.788770775e+00 -2.788770775e+00 3.00 -2.764640030e+00 -2.764640030e+00 3.02 -2.737615881e+00 -2.737615881e+00 3.04 -2.707860625e+00 -2.707860625e+00 3.06 -2.675505274e+00 -2.675505274e+00 3.08 -2.640655523e+00 -2.640655523e+00 3.10 -2.603401131e+00 -2.603401131e+00 3.12 -2.563823487e+00 -2.563823487e+00 3.14 -2.522006140e+00 -2.522006140e+00 3.16 -2.478040246e+00 -2.478040246e+00 3.18 -2.432035415e+00 -2.432035415e+00 3.20 -2.384127243e+00 -2.384127243e+00 3.22 -2.334484480e+00 -2.334484480e+00 3.24 -2.283314347e+00 -2.283314347e+00 3.26 -2.230864929e+00 -2.230864929e+00 3.28 -2.177423606e+00 -2.177423606e+00 3.30 -2.123312496e+00 -2.123312496e+00 3.32 -2.068917958e+00 -2.068917958e+00 3.34 -2.014562473e+00 -2.014562473e+00 3.36 -1.960536075e+00 -1.960536075e+00 3.38 -1.907114908e+00 -1.907114908e+00 3.40 -1.854544799e+00 -1.854544799e+00 3.42 -1.803029086e+00 -1.803029086e+00 3.44 -1.752720203e+00 -1.752720203e+00 3.46 -1.703683393e+00 -1.703683393e+00 3.48 -1.655860422e+00 -1.655860422e+00 3.50 -1.609156586e+00 -1.609156586e+00 3.52 -1.563455431e+00 -1.563455431e+00 3.54 -1.518622577e+00 -1.518622577e+00 3.56 -1.474510871e+00 -1.474510871e+00 3.58 -1.430966236e+00 -1.430966236e+00 3.60 -1.387833822e+00 -1.387833822e+00 3.62 -1.344964194e+00 -1.344964194e+00 3.64 -1.302219461e+00 -1.302219461e+00 3.66 -1.259479272e+00 -1.259479272e+00 3.68 -1.216646623e+00 -1.216646623e+00 3.70 -1.173653343e+00 -1.173653343e+00 3.72 -1.130465028e+00 -1.130465028e+00 3.74 -1.087085070e+00 -1.087085070e+00 3.76 -1.043557345e+00 -1.043557345e+00 3.78 -9.999670713e-01 -9.999670713e-01 3.80 -9.564394089e-01 -9.564394089e-01 3.82 -9.131354932e-01 -9.131354932e-01 3.84 -8.702458652e-01 -8.702458652e-01 3.86 -8.279815556e-01 -8.279815556e-01 3.88 -7.865634286e-01 -7.865634286e-01 3.90 -7.462106717e-01 -7.462106717e-01 3.92 -7.071292798e-01 -7.071292798e-01 3.94 -6.695028842e-01 -6.695028842e-01 3.96 -6.334834700e-01 -6.334834700e-01 3.98 -5.991871567e-01 -5.991871567e-01 4.00 -5.666916433e-01 -5.666916433e-01 4.02 -5.360366269e-01 -5.360366269e-01 4.04 -5.072264750e-01 -5.072264750e-01 4.06 -4.802345307e-01 -4.802345307e-01 4.08 -4.550083926e-01 -4.550083926e-01 4.10 -4.314748363e-01 -4.314748363e-01 4.12 -4.095484273e-01 -4.095484273e-01 4.14 -3.891317334e-01 -3.891317334e-01 4.16 -3.701231676e-01 -3.701231676e-01 4.18 -3.524197025e-01 -3.524197025e-01 4.20 -3.359197240e-01 -3.359197240e-01 4.22 -3.205251558e-01 -3.205251558e-01 4.24 -3.061429427e-01 -3.061429427e-01 4.26 -2.926859953e-01 -2.926859953e-01 4.28 -2.800737013e-01 -2.800737013e-01 4.30 -2.682321035e-01 -2.682321035e-01 4.32 -2.570938296e-01 -2.570938296e-01 4.34 -2.465978504e-01 -2.465978504e-01 4.36 -2.366891218e-01 -2.366891218e-01 4.38 -2.273181608e-01 -2.273181608e-01 4.40 -2.184405864e-01 -2.184405864e-01 4.42 -2.100166542e-01 -2.100166542e-01 4.44 -2.020108000e-01 -2.020108000e-01 4.46 -1.943912049e-01 -1.943912049e-01 4.48 -1.871293893e-01 -1.871293893e-01 4.50 -1.801998393e-01 -1.801998393e-01 4.52 -1.735796670e-01 -1.735796670e-01 4.54 -1.672483038e-01 -1.672483038e-01 4.56 -1.611872303e-01 -1.611872303e-01 4.58 -1.553797269e-01 -1.553797269e-01 4.60 -1.498106593e-01 -1.498106593e-01 4.62 -1.444662907e-01 -1.444662907e-01 4.64 -1.393341158e-01 -1.393341158e-01 4.66 -1.344027132e-01 -1.344027132e-01 4.68 -1.296616181e-01 -1.296616181e-01 4.70 -1.251012097e-01 -1.251012097e-01 4.72 -1.207126135e-01 -1.207126135e-01 4.74 -1.164876155e-01 -1.164876155e-01 4.76 -1.124185877e-01 -1.124185877e-01 4.78 -1.084984225e-01 -1.084984225e-01 4.80 -1.047200669e-01 -1.047200669e-01 4.82 -1.010781801e-01 -1.010781801e-01 4.84 -9.756640648e-02 -9.756640648e-02 4.86 -9.417907103e-02 -9.417907103e-02 4.88 -9.091082325e-02 -9.091082325e-02 4.90 -8.775676769e-02 -8.775676769e-02 4.92 -8.471223699e-02 -8.471223699e-02 4.94 -8.177277106e-02 -8.177277106e-02 4.96 -7.893409870e-02 -7.893409870e-02 4.98 -7.619212151e-02 -7.619212151e-02 5.00 -7.354289974e-02 -7.354289974e-02 5.02 -7.098264015e-02 -7.098264015e-02 5.04 -6.850768578e-02 -6.850768578e-02 5.06 -6.611450770e-02 -6.611450770e-02 5.08 -6.379969884e-02 -6.379969884e-02 5.10 -6.155997006e-02 -6.155997006e-02 5.12 -5.939214880e-02 -5.939214880e-02 5.14 -5.729317988e-02 -5.729317988e-02 5.16 -5.526012931e-02 -5.526012931e-02 5.18 -5.329019155e-02 -5.329019155e-02 5.20 -5.138069964e-02 -5.138069964e-02 5.22 -4.952913843e-02 -4.952913843e-02 5.24 -4.773316072e-02 -4.773316072e-02 5.26 -4.599060568e-02 -4.599060568e-02 5.28 -4.429951860e-02 -4.429951860e-02 5.30 -4.265817056e-02 -4.265817056e-02 5.32 -4.106507607e-02 -4.106507607e-02 5.34 -3.951900641e-02 -3.951900641e-02 5.36 -3.801899579e-02 -3.801899579e-02 5.38 -3.656433808e-02 -3.656433808e-02 5.40 -3.515457104e-02 -3.515457104e-02 5.42 -3.378944689e-02 -3.378944689e-02 5.44 -3.246888889e-02 -3.246888889e-02 5.46 -3.119293507e-02 -3.119293507e-02 5.48 -2.996167226e-02 -2.996167226e-02 5.50 -2.877516484e-02 -2.877516484e-02 5.52 -2.763338422e-02 -2.763338422e-02 5.54 -2.653614489e-02 -2.653614489e-02 5.56 -2.548305276e-02 -2.548305276e-02 5.58 -2.447346975e-02 -2.447346975e-02 5.60 -2.350649705e-02 -2.350649705e-02 5.62 -2.258097675e-02 -2.258097675e-02 5.64 -2.169551007e-02 -2.169551007e-02 5.66 -2.084848853e-02 -2.084848853e-02 5.68 -2.003813383e-02 -2.003813383e-02 5.70 -1.926254202e-02 -1.926254202e-02 5.72 -1.851972783e-02 -1.851972783e-02 5.74 -1.780766561e-02 -1.780766561e-02 5.76 -1.712428292e-02 -1.712428292e-02 5.78 -1.646756078e-02 -1.646756078e-02 5.80 -1.583556047e-02 -1.583556047e-02 5.82 -1.522640979e-02 -1.522640979e-02 5.84 -1.463831536e-02 -1.463831536e-02 5.86 -1.406957039e-02 -1.406957039e-02 5.88 -1.351855931e-02 -1.351855931e-02 5.90 -1.298376003e-02 -1.298376003e-02 5.92 -1.246374517e-02 -1.246374517e-02 5.94 -1.195718296e-02 -1.195718296e-02 5.96 -1.146283856e-02 -1.146283856e-02 5.98 -1.097957652e-02 -1.097957652e-02 6.00 -1.050636464e-02 -1.050636464e-02