# 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 = AlPdTi2 # 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 2.330150937e+02 2.330150937e+02 1.30 2.164202651e+02 2.164202651e+02 1.32 2.010286535e+02 2.010286535e+02 1.34 1.867479679e+02 1.867479679e+02 1.36 1.734908909e+02 1.734908909e+02 1.38 1.611751528e+02 1.611751528e+02 1.40 1.497251388e+02 1.497251388e+02 1.42 1.390729861e+02 1.390729861e+02 1.44 1.291583913e+02 1.291583913e+02 1.46 1.199273265e+02 1.199273265e+02 1.48 1.113304304e+02 1.113304304e+02 1.50 1.033219731e+02 1.033219731e+02 1.52 9.585953903e+01 9.585953903e+01 1.54 8.890391271e+01 8.890391271e+01 1.56 8.241877962e+01 8.241877962e+01 1.58 7.637026043e+01 7.637026043e+01 1.60 7.072655012e+01 7.072655012e+01 1.62 6.545787421e+01 6.545787421e+01 1.64 6.053665555e+01 6.053665555e+01 1.66 5.593761883e+01 5.593761883e+01 1.68 5.163775771e+01 5.163775771e+01 1.70 4.761624274e+01 4.761624274e+01 1.72 4.385423195e+01 4.385423195e+01 1.74 4.033450271e+01 4.033450271e+01 1.76 3.704127599e+01 3.704127599e+01 1.78 3.395988895e+01 3.395988895e+01 1.80 3.108649386e+01 3.108649386e+01 1.82 2.841213183e+01 2.841213183e+01 1.84 2.592336323e+01 2.592336323e+01 1.86 2.360734312e+01 2.360734312e+01 1.88 2.145240178e+01 2.145240178e+01 1.90 1.944792873e+01 1.944792873e+01 1.92 1.758423375e+01 1.758423375e+01 1.94 1.585236654e+01 1.585236654e+01 1.96 1.424390797e+01 1.424390797e+01 1.98 1.275079427e+01 1.275079427e+01 2.00 1.136524246e+01 1.136524246e+01 2.02 1.007978437e+01 1.007978437e+01 2.04 8.887351736e+00 8.887351736e+00 2.06 7.781347489e+00 7.781347489e+00 2.08 6.755677161e+00 6.755677161e+00 2.10 5.804745765e+00 5.804745765e+00 2.12 4.923428431e+00 4.923428431e+00 2.14 4.107022088e+00 4.107022088e+00 2.16 3.351188737e+00 3.351188737e+00 2.18 2.651902315e+00 2.651902315e+00 2.20 2.005406341e+00 2.005406341e+00 2.22 1.408182366e+00 1.408182366e+00 2.24 8.569296564e-01 8.569296564e-01 2.26 3.485569230e-01 3.485569230e-01 2.28 -1.198157779e-01 -1.198157779e-01 2.30 -5.508514748e-01 -5.508514748e-01 2.32 -9.469981390e-01 -9.469981390e-01 2.34 -1.310500894e+00 -1.310500894e+00 2.36 -1.643423401e+00 -1.643423401e+00 2.38 -1.947673457e+00 -1.947673457e+00 2.40 -2.225030644e+00 -2.225030644e+00 2.42 -2.477174908e+00 -2.477174908e+00 2.44 -2.705713769e+00 -2.705713769e+00 2.46 -2.912205473e+00 -2.912205473e+00 2.48 -3.098173925e+00 -3.098173925e+00 2.50 -3.265112671e+00 -3.265112671e+00 2.52 -3.414477671e+00 -3.414477671e+00 2.54 -3.547672467e+00 -3.547672467e+00 2.56 -3.666031882e+00 -3.666031882e+00 2.58 -3.770809312e+00 -3.770809312e+00 2.60 -3.863168608e+00 -3.863168608e+00 2.62 -3.944194434e+00 -3.944194434e+00 2.64 -4.014952684e+00 -4.014952684e+00 2.66 -4.076214317e+00 -4.076214317e+00 2.68 -4.128630354e+00 -4.128630354e+00 2.70 -4.172775575e+00 -4.172775575e+00 2.72 -4.209154500e+00 -4.209154500e+00 2.74 -4.238213153e+00 -4.238213153e+00 2.76 -4.260353197e+00 -4.260353197e+00 2.78 -4.275944804e+00 -4.275944804e+00 2.80 -4.285267390e+00 -4.285267390e+00 2.82 -4.288474576e+00 -4.288474576e+00 2.84 -4.285906498e+00 -4.285906498e+00 2.86 -4.278099779e+00 -4.278099779e+00 2.88 -4.265759131e+00 -4.265759131e+00 2.90 -4.248887330e+00 -4.248887330e+00 2.92 -4.227485622e+00 -4.227485622e+00 2.94 -4.201631142e+00 -4.201631142e+00 2.96 -4.171464490e+00 -4.171464490e+00 2.98 -4.137180217e+00 -4.137180217e+00 3.00 -4.099020511e+00 -4.099020511e+00 3.02 -4.057285386e+00 -4.057285386e+00 3.04 -4.012347255e+00 -4.012347255e+00 3.06 -3.964604102e+00 -3.964604102e+00 3.08 -3.914448927e+00 -3.914448927e+00 3.10 -3.862253402e+00 -3.862253402e+00 3.12 -3.808352870e+00 -3.808352870e+00 3.14 -3.753036763e+00 -3.753036763e+00 3.16 -3.696544838e+00 -3.696544838e+00 3.18 -3.639070206e+00 -3.639070206e+00 3.20 -3.580766053e+00 -3.580766053e+00 3.22 -3.521754246e+00 -3.521754246e+00 3.24 -3.462133882e+00 -3.462133882e+00 3.26 -3.401988628e+00 -3.401988628e+00 3.28 -3.341392416e+00 -3.341392416e+00 3.30 -3.280413521e+00 -3.280413521e+00 3.32 -3.219117316e+00 -3.219117316e+00 3.34 -3.157568078e+00 -3.157568078e+00 3.36 -3.095830217e+00 -3.095830217e+00 3.38 -3.033969249e+00 -3.033969249e+00 3.40 -2.972052737e+00 -2.972052737e+00 3.42 -2.910151521e+00 -2.910151521e+00 3.44 -2.848340879e+00 -2.848340879e+00 3.46 -2.786702084e+00 -2.786702084e+00 3.48 -2.725323641e+00 -2.725323641e+00 3.50 -2.664301934e+00 -2.664301934e+00 3.52 -2.603740714e+00 -2.603740714e+00 3.54 -2.543748960e+00 -2.543748960e+00 3.56 -2.484436931e+00 -2.484436931e+00 3.58 -2.425910731e+00 -2.425910731e+00 3.60 -2.368266195e+00 -2.368266195e+00 3.62 -2.311583233e+00 -2.311583233e+00 3.64 -2.255921746e+00 -2.255921746e+00 3.66 -2.201319804e+00 -2.201319804e+00 3.68 -2.147794203e+00 -2.147794203e+00 3.70 -2.095342941e+00 -2.095342941e+00 3.72 -2.043948893e+00 -2.043948893e+00 3.74 -1.993583899e+00 -1.993583899e+00 3.76 -1.944212644e+00 -1.944212644e+00 3.78 -1.895795975e+00 -1.895795975e+00 3.80 -1.848293517e+00 -1.848293517e+00 3.82 -1.801665585e+00 -1.801665585e+00 3.84 -1.755874497e+00 -1.755874497e+00 3.86 -1.710885427e+00 -1.710885427e+00 3.88 -1.666666897e+00 -1.666666897e+00 3.90 -1.623191047e+00 -1.623191047e+00 3.92 -1.580433694e+00 -1.580433694e+00 3.94 -1.538374561e+00 -1.538374561e+00 3.96 -1.496996941e+00 -1.496996941e+00 3.98 -1.456287897e+00 -1.456287897e+00 4.00 -1.416238162e+00 -1.416238162e+00 4.02 -1.376842095e+00 -1.376842095e+00 4.04 -1.338097590e+00 -1.338097590e+00 4.06 -1.300005920e+00 -1.300005920e+00 4.08 -1.262571482e+00 -1.262571482e+00 4.10 -1.225801284e+00 -1.225801284e+00 4.12 -1.189704983e+00 -1.189704983e+00 4.14 -1.154293453e+00 -1.154293453e+00 4.16 -1.119578749e+00 -1.119578749e+00 4.18 -1.085573354e+00 -1.085573354e+00 4.20 -1.052289689e+00 -1.052289689e+00 4.22 -1.019739737e+00 -1.019739737e+00 4.24 -9.879347981e-01 -9.879347981e-01 4.26 -9.568853029e-01 -9.568853029e-01 4.28 -9.266005934e-01 -9.266005934e-01 4.30 -8.970885944e-01 -8.970885944e-01 4.32 -8.683553045e-01 -8.683553045e-01 4.34 -8.404041081e-01 -8.404041081e-01 4.36 -8.132349626e-01 -8.132349626e-01 4.38 -7.868435722e-01 -7.868435722e-01 4.40 -7.612206801e-01 -7.612206801e-01 4.42 -7.363516023e-01 -7.363516023e-01 4.44 -7.122160897e-01 -7.122160897e-01 4.46 -6.887885503e-01 -6.887885503e-01 4.48 -6.660386108e-01 -6.660386108e-01 4.50 -6.439319517e-01 -6.439319517e-01 4.52 -6.224313316e-01 -6.224313316e-01 4.54 -6.014977073e-01 -6.014977073e-01 4.56 -5.810913685e-01 -5.810913685e-01 4.58 -5.611730244e-01 -5.611730244e-01 4.60 -5.417047967e-01 -5.417047967e-01 4.62 -5.226510899e-01 -5.226510899e-01 4.64 -5.039793234e-01 -5.039793234e-01 4.66 -4.856605142e-01 -4.856605142e-01 4.68 -4.676697069e-01 -4.676697069e-01 4.70 -4.499862486e-01 -4.499862486e-01 4.72 -4.325939188e-01 -4.325939188e-01 4.74 -4.154809280e-01 -4.154809280e-01 4.76 -3.986398138e-01 -3.986398138e-01 4.78 -3.820672745e-01 -3.820672745e-01 4.80 -3.657638988e-01 -3.657638988e-01 4.82 -3.497343652e-01 -3.497343652e-01 4.84 -3.339867794e-01 -3.339867794e-01 4.86 -3.185330305e-01 -3.185330305e-01 4.88 -3.033886931e-01 -3.033886931e-01 4.90 -2.885730198e-01 -2.885730198e-01 4.92 -2.741088410e-01 -2.741088410e-01 4.94 -2.600222803e-01 -2.600222803e-01 4.96 -2.463422061e-01 -2.463422061e-01 4.98 -2.330993669e-01 -2.330993669e-01 5.00 -2.203252090e-01 -2.203252090e-01 5.02 -2.080504293e-01 -2.080504293e-01 5.04 -1.963033705e-01 -1.963033705e-01 5.06 -1.851084046e-01 -1.851084046e-01 5.08 -1.744844684e-01 -1.744844684e-01 5.10 -1.644438995e-01 -1.644438995e-01 5.12 -1.549916878e-01 -1.549916878e-01 5.14 -1.461252003e-01 -1.461252003e-01 5.16 -1.378343772e-01 -1.378343772e-01 5.18 -1.301023446e-01 -1.301023446e-01 5.20 -1.229063450e-01 -1.229063450e-01 5.22 -1.162188737e-01 -1.162188737e-01 5.24 -1.100088969e-01 -1.100088969e-01 5.26 -1.042430573e-01 -1.042430573e-01 5.28 -9.888678438e-02 -9.888678438e-02 5.30 -9.390525449e-02 -9.390525449e-02 5.32 -8.926379847e-02 -8.926379847e-02 5.34 -8.492924445e-02 -8.492924445e-02 5.36 -8.087037317e-02 -8.087037317e-02 5.38 -7.705766011e-02 -7.705766011e-02 5.40 -7.346351912e-02 -7.346351912e-02 5.42 -7.006242606e-02 -7.006242606e-02 5.44 -6.683095729e-02 -6.683095729e-02 5.46 -6.374777240e-02 -6.374777240e-02 5.48 -6.079356558e-02 -6.079356558e-02 5.50 -5.795100461e-02 -5.795100461e-02 5.52 -5.520467196e-02 -5.520467196e-02 5.54 -5.254101763e-02 -5.254101763e-02 5.56 -4.994832962e-02 -4.994832962e-02 5.58 -4.741672376e-02 -4.741672376e-02 5.60 -4.493815101e-02 -4.493815101e-02 5.62 -4.250641659e-02 -4.250641659e-02 5.64 -4.011720190e-02 -4.011720190e-02 5.66 -3.776807716e-02 -3.776807716e-02 5.68 -3.545849046e-02 -3.545849046e-02 5.70 -3.318971794e-02 -3.318971794e-02 5.72 -3.096476080e-02 -3.096476080e-02 5.74 -2.878817751e-02 -2.878817751e-02 5.76 -2.666584517e-02 -2.666584517e-02 5.78 -2.460465126e-02 -2.460465126e-02 5.80 -2.261212429e-02 -2.261212429e-02 5.82 -2.069602309e-02 -2.069602309e-02 5.84 -1.886390966e-02 -1.886390966e-02 5.86 -1.712273475e-02 -1.712273475e-02 5.88 -1.547846716e-02 -1.547846716e-02 5.90 -1.393579323e-02 -1.393579323e-02 5.92 -1.249782488e-02 -1.249782488e-02 5.94 -1.116596083e-02 -1.116596083e-02 5.96 -9.940316392e-03 -9.940316392e-03 5.98 -8.819450296e-03 -8.819450296e-03 6.00 -7.800499097e-03 -7.800499097e-03