# 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 = AuCuPd2 # 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 2.688957868e+02 2.688957868e+02 1.30 2.489872672e+02 2.489872672e+02 1.32 2.305450671e+02 2.305450671e+02 1.34 2.134550010e+02 2.134550010e+02 1.36 1.976102392e+02 1.976102392e+02 1.38 1.829113137e+02 1.829113137e+02 1.40 1.692667478e+02 1.692667478e+02 1.42 1.565929999e+02 1.565929999e+02 1.44 1.448139835e+02 1.448139835e+02 1.46 1.338608252e+02 1.338608252e+02 1.48 1.236715498e+02 1.236715498e+02 1.50 1.141900492e+02 1.141900492e+02 1.52 1.053645340e+02 1.053645340e+02 1.54 9.714631208e+01 9.714631208e+01 1.56 8.948936879e+01 8.948936879e+01 1.58 8.235056722e+01 8.235056722e+01 1.60 7.569007402e+01 7.569007402e+01 1.62 6.947169570e+01 6.947169570e+01 1.64 6.366295309e+01 6.366295309e+01 1.66 5.823880175e+01 5.823880175e+01 1.68 5.319149629e+01 5.319149629e+01 1.70 4.852425607e+01 4.852425607e+01 1.72 4.421287464e+01 4.421287464e+01 1.74 4.023214345e+01 4.023214345e+01 1.76 3.655828789e+01 3.655828789e+01 1.78 3.316881668e+01 3.316881668e+01 1.80 3.004250530e+01 3.004250530e+01 1.82 2.715944672e+01 2.715944672e+01 1.84 2.450110725e+01 2.450110725e+01 1.86 2.205032326e+01 2.205032326e+01 1.88 1.979121479e+01 1.979121479e+01 1.90 1.770906187e+01 1.770906187e+01 1.92 1.579021736e+01 1.579021736e+01 1.94 1.402208787e+01 1.402208787e+01 1.96 1.239314982e+01 1.239314982e+01 1.98 1.089293801e+01 1.089293801e+01 2.00 9.511966294e+00 9.511966294e+00 2.02 8.241588590e+00 8.241588590e+00 2.04 7.073843776e+00 7.073843776e+00 2.06 6.001327629e+00 6.001327629e+00 2.08 5.017111740e+00 5.017111740e+00 2.10 4.114705882e+00 4.114705882e+00 2.12 3.288048564e+00 3.288048564e+00 2.14 2.531508463e+00 2.531508463e+00 2.16 1.839883005e+00 1.839883005e+00 2.18 1.208386642e+00 1.208386642e+00 2.20 6.326276299e-01 6.326276299e-01 2.22 1.085759585e-01 1.085759585e-01 2.24 -3.674740021e-01 -3.674740021e-01 2.26 -7.989432701e-01 -7.989432701e-01 2.28 -1.189008195e+00 -1.189008195e+00 2.30 -1.540638036e+00 -1.540638036e+00 2.32 -1.856626757e+00 -1.856626757e+00 2.34 -2.139615499e+00 -2.139615499e+00 2.36 -2.392104425e+00 -2.392104425e+00 2.38 -2.616456410e+00 -2.616456410e+00 2.40 -2.814898001e+00 -2.814898001e+00 2.42 -2.989522854e+00 -2.989522854e+00 2.44 -3.142299919e+00 -3.142299919e+00 2.46 -3.275084669e+00 -3.275084669e+00 2.48 -3.389628651e+00 -3.389628651e+00 2.50 -3.487582170e+00 -3.487582170e+00 2.52 -3.570488042e+00 -3.570488042e+00 2.54 -3.639769620e+00 -3.639769620e+00 2.56 -3.696720281e+00 -3.696720281e+00 2.58 -3.742500901e+00 -3.742500901e+00 2.60 -3.778343676e+00 -3.778343676e+00 2.62 -3.805857732e+00 -3.805857732e+00 2.64 -3.825731988e+00 -3.825731988e+00 2.66 -3.838184988e+00 -3.838184988e+00 2.68 -3.843342169e+00 -3.843342169e+00 2.70 -3.841400045e+00 -3.841400045e+00 2.72 -3.832606435e+00 -3.832606435e+00 2.74 -3.817244273e+00 -3.817244273e+00 2.76 -3.795630663e+00 -3.795630663e+00 2.78 -3.768168750e+00 -3.768168750e+00 2.80 -3.735296463e+00 -3.735296463e+00 2.82 -3.697447144e+00 -3.697447144e+00 2.84 -3.655040718e+00 -3.655040718e+00 2.86 -3.608494423e+00 -3.608494423e+00 2.88 -3.558233030e+00 -3.558233030e+00 2.90 -3.504694754e+00 -3.504694754e+00 2.92 -3.448330629e+00 -3.448330629e+00 2.94 -3.389596910e+00 -3.389596910e+00 2.96 -3.328942212e+00 -3.328942212e+00 2.98 -3.266792753e+00 -3.266792753e+00 3.00 -3.203539460e+00 -3.203539460e+00 3.02 -3.139529628e+00 -3.139529628e+00 3.04 -3.075063845e+00 -3.075063845e+00 3.06 -3.010397191e+00 -3.010397191e+00 3.08 -2.945742749e+00 -2.945742749e+00 3.10 -2.881275788e+00 -2.881275788e+00 3.12 -2.817137681e+00 -2.817137681e+00 3.14 -2.753439460e+00 -2.753439460e+00 3.16 -2.690265301e+00 -2.690265301e+00 3.18 -2.627676253e+00 -2.627676253e+00 3.20 -2.565714283e+00 -2.565714283e+00 3.22 -2.504406521e+00 -2.504406521e+00 3.24 -2.443769465e+00 -2.443769465e+00 3.26 -2.383812927e+00 -2.383812927e+00 3.28 -2.324543539e+00 -2.324543539e+00 3.30 -2.265967702e+00 -2.265967702e+00 3.32 -2.208093884e+00 -2.208093884e+00 3.34 -2.150934223e+00 -2.150934223e+00 3.36 -2.094505398e+00 -2.094505398e+00 3.38 -2.038828778e+00 -2.038828778e+00 3.40 -1.983929934e+00 -1.983929934e+00 3.42 -1.929837619e+00 -1.929837619e+00 3.44 -1.876582382e+00 -1.876582382e+00 3.46 -1.824195001e+00 -1.824195001e+00 3.48 -1.772704889e+00 -1.772704889e+00 3.50 -1.722138628e+00 -1.722138628e+00 3.52 -1.672518719e+00 -1.672518719e+00 3.54 -1.623862631e+00 -1.623862631e+00 3.56 -1.576182162e+00 -1.576182162e+00 3.58 -1.529483119e+00 -1.529483119e+00 3.60 -1.483765315e+00 -1.483765315e+00 3.62 -1.439022858e+00 -1.439022858e+00 3.64 -1.395244715e+00 -1.395244715e+00 3.66 -1.352415537e+00 -1.352415537e+00 3.68 -1.310516698e+00 -1.310516698e+00 3.70 -1.269527522e+00 -1.269527522e+00 3.72 -1.229426621e+00 -1.229426621e+00 3.74 -1.190193242e+00 -1.190193242e+00 3.76 -1.151808493e+00 -1.151808493e+00 3.78 -1.114256300e+00 -1.114256300e+00 3.80 -1.077523958e+00 -1.077523958e+00 3.82 -1.041602158e+00 -1.041602158e+00 3.84 -1.006484459e+00 -1.006484459e+00 3.86 -9.721662984e-01 -9.721662984e-01 3.88 -9.386436884e-01 -9.386436884e-01 3.90 -9.059118674e-01 -9.059118674e-01 3.92 -8.739641777e-01 -8.739641777e-01 3.94 -8.427914043e-01 -8.427914043e-01 3.96 -8.123817033e-01 -8.123817033e-01 3.98 -7.827211393e-01 -7.827211393e-01 4.00 -7.537947107e-01 -7.537947107e-01 4.02 -7.255876588e-01 -7.255876588e-01 4.04 -6.980868045e-01 -6.980868045e-01 4.06 -6.712816602e-01 -6.712816602e-01 4.08 -6.451651068e-01 -6.451651068e-01 4.10 -6.197335048e-01 -6.197335048e-01 4.12 -5.949862166e-01 -5.949862166e-01 4.14 -5.709245974e-01 -5.709245974e-01 4.16 -5.475506559e-01 -5.475506559e-01 4.18 -5.248655983e-01 -5.248655983e-01 4.20 -5.028685156e-01 -5.028685156e-01 4.22 -4.815554297e-01 -4.815554297e-01 4.24 -4.609188295e-01 -4.609188295e-01 4.26 -4.409477292e-01 -4.409477292e-01 4.28 -4.216281776e-01 -4.216281776e-01 4.30 -4.029440720e-01 -4.029440720e-01 4.32 -3.848780963e-01 -3.848780963e-01 4.34 -3.674126054e-01 -3.674126054e-01 4.36 -3.505303129e-01 -3.505303129e-01 4.38 -3.342146918e-01 -3.342146918e-01 4.40 -3.184500570e-01 -3.184500570e-01 4.42 -3.032213510e-01 -3.032213510e-01 4.44 -2.885137010e-01 -2.885137010e-01 4.46 -2.743118490e-01 -2.743118490e-01 4.48 -2.605995760e-01 -2.605995760e-01 4.50 -2.473592449e-01 -2.473592449e-01 4.52 -2.345715696e-01 -2.345715696e-01 4.54 -2.222156889e-01 -2.222156889e-01 4.56 -2.102695754e-01 -2.102695754e-01 4.58 -1.987107617e-01 -1.987107617e-01 4.60 -1.875173180e-01 -1.875173180e-01 4.62 -1.766689758e-01 -1.766689758e-01 4.64 -1.661482734e-01 -1.661482734e-01 4.66 -1.559415872e-01 -1.559415872e-01 4.68 -1.460399264e-01 -1.460399264e-01 4.70 -1.364393898e-01 -1.364393898e-01 4.72 -1.271412199e-01 -1.271412199e-01 4.74 -1.181514325e-01 -1.181514325e-01 4.76 -1.094800487e-01 -1.094800487e-01 4.78 -1.011400019e-01 -1.011400019e-01 4.80 -9.314583106e-02 -9.314583106e-02 4.82 -8.551230200e-02 -8.551230200e-02 4.84 -7.825308262e-02 -7.825308262e-02 4.86 -7.137961599e-02 -7.137961599e-02 4.88 -6.490026192e-02 -6.490026192e-02 4.90 -5.881976224e-02 -5.881976224e-02 4.92 -5.313902813e-02 -5.313902813e-02 4.94 -4.785520241e-02 -4.785520241e-02 4.96 -4.296192787e-02 -4.296192787e-02 4.98 -3.844975234e-02 -3.844975234e-02 5.00 -3.430659468e-02 -3.430659468e-02 5.02 -3.051820491e-02 -3.051820491e-02 5.04 -2.706835210e-02 -2.706835210e-02 5.06 -2.393959231e-02 -2.393959231e-02 5.08 -2.111389247e-02 -2.111389247e-02 5.10 -1.857230789e-02 -1.857230789e-02 5.12 -1.629533944e-02 -1.629533944e-02 5.14 -1.426347894e-02 -1.426347894e-02 5.16 -1.245724954e-02 -1.245724954e-02 5.18 -1.085745030e-02 -1.085745030e-02 5.20 -9.445386704e-03 -9.445386704e-03 5.22 -8.203072182e-03 -8.203072182e-03 5.24 -7.113396260e-03 -7.113396260e-03 5.26 -6.160256044e-03 -6.160256044e-03 5.28 -5.328649685e-03 -5.328649685e-03 5.30 -4.604732695e-03 -4.604732695e-03 5.32 -3.975840020e-03 -3.975840020e-03 5.34 -3.430478217e-03 -3.430478217e-03 5.36 -2.958293000e-03 -2.958293000e-03 5.38 -2.550017686e-03 -2.550017686e-03 5.40 -2.197407886e-03 -2.197407886e-03 5.42 -1.893167321e-03 -1.893167321e-03 5.44 -1.630868890e-03 -1.630868890e-03 5.46 -1.404874380e-03 -1.404874380e-03 5.48 -1.210255431e-03 -1.210255431e-03 5.50 -1.042717661e-03 -1.042717661e-03 5.52 -8.985292629e-04 -8.985292629e-04 5.54 -7.744548731e-04 -7.744548731e-04 5.56 -6.676951164e-04 -6.676951164e-04 5.58 -5.758319435e-04 -5.758319435e-04 5.60 -4.967796461e-04 -4.967796461e-04 5.62 -4.287412951e-04 -4.287412951e-04 5.64 -3.701702465e-04 -3.701702465e-04 5.66 -3.197363094e-04 -3.197363094e-04 5.68 -2.762961468e-04 -2.762961468e-04 5.70 -2.388674788e-04 -2.388674788e-04 5.72 -2.066066732e-04 -2.066066732e-04 5.74 -1.787893317e-04 -1.787893317e-04 5.76 -1.547935102e-04 -1.547935102e-04 5.78 -1.340852432e-04 -1.340852432e-04 5.80 -1.162060767e-04 -1.162060767e-04 5.82 -1.007623443e-04 -1.007623443e-04 5.84 -8.741595292e-05 -8.741595292e-05 5.86 -7.587647243e-05 -7.587647243e-05 5.88 -6.589434956e-05 -6.589434956e-05 5.90 -5.725508882e-05 -5.725508882e-05 5.92 -4.977426491e-05 -4.977426491e-05 5.94 -4.329324872e-05 -4.329324872e-05 5.96 -3.767554555e-05 -3.767554555e-05 5.98 -3.280365792e-05 -3.280365792e-05 6.00 -2.857639785e-05 -2.857639785e-05