# 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 = Au2CoCu # 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 2.268935449e+02 2.268935449e+02 1.30 2.095453957e+02 2.095453957e+02 1.32 1.935101570e+02 1.935101570e+02 1.34 1.786841928e+02 1.786841928e+02 1.36 1.649709931e+02 1.649709931e+02 1.38 1.522804156e+02 1.522804156e+02 1.40 1.405292615e+02 1.405292615e+02 1.42 1.296417276e+02 1.296417276e+02 1.44 1.195493339e+02 1.195493339e+02 1.46 1.101904684e+02 1.101904684e+02 1.48 1.015095158e+02 1.015095158e+02 1.50 9.345569569e+01 9.345569569e+01 1.52 8.598203263e+01 8.598203263e+01 1.54 7.904469805e+01 7.904469805e+01 1.56 7.260266981e+01 7.260266981e+01 1.58 6.661763961e+01 6.661763961e+01 1.60 6.105411759e+01 6.105411759e+01 1.62 5.587958962e+01 5.587958962e+01 1.64 5.106452062e+01 5.106452062e+01 1.66 4.658211822e+01 4.658211822e+01 1.68 4.242311797e+01 4.242311797e+01 1.70 3.857939174e+01 3.857939174e+01 1.72 3.502816699e+01 3.502816699e+01 1.74 3.174819876e+01 3.174819876e+01 1.76 2.871999670e+01 2.871999670e+01 1.78 2.592569008e+01 2.592569008e+01 1.80 2.334862549e+01 2.334862549e+01 1.82 2.097305623e+01 2.097305623e+01 1.84 1.878403463e+01 1.878403463e+01 1.86 1.676748135e+01 1.676748135e+01 1.88 1.491030362e+01 1.491030362e+01 1.90 1.320044938e+01 1.320044938e+01 1.92 1.162686521e+01 1.162686521e+01 1.94 1.017938894e+01 1.017938894e+01 1.96 8.848623548e+00 8.848623548e+00 1.98 7.625827353e+00 7.625827353e+00 2.00 6.502842565e+00 6.502842565e+00 2.02 5.472070600e+00 5.472070600e+00 2.04 4.526478999e+00 4.526478999e+00 2.06 3.659605628e+00 3.659605628e+00 2.08 2.865533958e+00 2.865533958e+00 2.10 2.138839773e+00 2.138839773e+00 2.12 1.474527443e+00 1.474527443e+00 2.14 8.679728991e-01 8.679728991e-01 2.16 3.148808730e-01 3.148808730e-01 2.18 -1.887436586e-01 -1.887436586e-01 2.20 -6.466130932e-01 -6.466130932e-01 2.22 -1.062167875e+00 -1.062167875e+00 2.24 -1.438584302e+00 -1.438584302e+00 2.26 -1.778783935e+00 -1.778783935e+00 2.28 -2.085448934e+00 -2.085448934e+00 2.30 -2.361045319e+00 -2.361045319e+00 2.32 -2.607851641e+00 -2.607851641e+00 2.34 -2.827986745e+00 -2.827986745e+00 2.36 -3.023430418e+00 -3.023430418e+00 2.38 -3.196034787e+00 -3.196034787e+00 2.40 -3.347529406e+00 -3.347529406e+00 2.42 -3.479525395e+00 -3.479525395e+00 2.44 -3.593522677e+00 -3.593522677e+00 2.46 -3.690921163e+00 -3.690921163e+00 2.48 -3.773034120e+00 -3.773034120e+00 2.50 -3.841101464e+00 -3.841101464e+00 2.52 -3.896315884e+00 -3.896315884e+00 2.54 -3.939841742e+00 -3.939841742e+00 2.56 -3.972719116e+00 -3.972719116e+00 2.58 -3.995976503e+00 -3.995976503e+00 2.60 -4.010757834e+00 -4.010757834e+00 2.62 -4.017868182e+00 -4.017868182e+00 2.64 -4.018023486e+00 -4.018023486e+00 2.66 -4.012108740e+00 -4.012108740e+00 2.68 -4.000706462e+00 -4.000706462e+00 2.70 -3.984024957e+00 -3.984024957e+00 2.72 -3.962277328e+00 -3.962277328e+00 2.74 -3.935693122e+00 -3.935693122e+00 2.76 -3.904500292e+00 -3.904500292e+00 2.78 -3.868932323e+00 -3.868932323e+00 2.80 -3.829230093e+00 -3.829230093e+00 2.82 -3.785656504e+00 -3.785656504e+00 2.84 -3.738480290e+00 -3.738480290e+00 2.86 -3.687958985e+00 -3.687958985e+00 2.88 -3.634342195e+00 -3.634342195e+00 2.90 -3.577876335e+00 -3.577876335e+00 2.92 -3.518809825e+00 -3.518809825e+00 2.94 -3.457398413e+00 -3.457398413e+00 2.96 -3.393910259e+00 -3.393910259e+00 2.98 -3.328630129e+00 -3.328630129e+00 3.00 -3.261861577e+00 -3.261861577e+00 3.02 -3.193925752e+00 -3.193925752e+00 3.04 -3.125155615e+00 -3.125155615e+00 3.06 -3.055885343e+00 -3.055885343e+00 3.08 -2.986436127e+00 -2.986436127e+00 3.10 -2.917100996e+00 -2.917100996e+00 3.12 -2.848131890e+00 -2.848131890e+00 3.14 -2.779731591e+00 -2.779731591e+00 3.16 -2.712051661e+00 -2.712051661e+00 3.18 -2.645195904e+00 -2.645195904e+00 3.20 -2.579227702e+00 -2.579227702e+00 3.22 -2.514179233e+00 -2.514179233e+00 3.24 -2.450060857e+00 -2.450060857e+00 3.26 -2.386869514e+00 -2.386869514e+00 3.28 -2.324595577e+00 -2.324595577e+00 3.30 -2.263228045e+00 -2.263228045e+00 3.32 -2.202758181e+00 -2.202758181e+00 3.34 -2.143181801e+00 -2.143181801e+00 3.36 -2.084500458e+00 -2.084500458e+00 3.38 -2.026721703e+00 -2.026721703e+00 3.40 -1.969858627e+00 -1.969858627e+00 3.42 -1.913928856e+00 -1.913928856e+00 3.44 -1.858953164e+00 -1.858953164e+00 3.46 -1.804953902e+00 -1.804953902e+00 3.48 -1.751953376e+00 -1.751953376e+00 3.50 -1.699972323e+00 -1.699972323e+00 3.52 -1.649028605e+00 -1.649028605e+00 3.54 -1.599136171e+00 -1.599136171e+00 3.56 -1.550304357e+00 -1.550304357e+00 3.58 -1.502537519e+00 -1.502537519e+00 3.60 -1.455835015e+00 -1.455835015e+00 3.62 -1.410191509e+00 -1.410191509e+00 3.64 -1.365597577e+00 -1.365597577e+00 3.66 -1.322040574e+00 -1.322040574e+00 3.68 -1.279505715e+00 -1.279505715e+00 3.70 -1.237977293e+00 -1.237977293e+00 3.72 -1.197439947e+00 -1.197439947e+00 3.74 -1.157879851e+00 -1.157879851e+00 3.76 -1.119285691e+00 -1.119285691e+00 3.78 -1.081649283e+00 -1.081649283e+00 3.80 -1.044965708e+00 -1.044965708e+00 3.82 -1.009232893e+00 -1.009232893e+00 3.84 -9.744506267e-01 -9.744506267e-01 3.86 -9.406191225e-01 -9.406191225e-01 3.88 -9.077372958e-01 -9.077372958e-01 3.90 -8.758010140e-01 -8.758010140e-01 3.92 -8.448015682e-01 -8.448015682e-01 3.94 -8.147245822e-01 -8.147245822e-01 3.96 -7.855494779e-01 -7.855494779e-01 3.98 -7.572495338e-01 -7.572495338e-01 4.00 -7.297924594e-01 -7.297924594e-01 4.02 -7.031413706e-01 -7.031413706e-01 4.04 -6.772560205e-01 -6.772560205e-01 4.06 -6.520941617e-01 -6.520941617e-01 4.08 -6.276129462e-01 -6.276129462e-01 4.10 -6.037703046e-01 -6.037703046e-01 4.12 -5.805262889e-01 -5.805262889e-01 4.14 -5.578443421e-01 -5.578443421e-01 4.16 -5.356925142e-01 -5.356925142e-01 4.18 -5.140445704e-01 -5.140445704e-01 4.20 -4.928809473e-01 -4.928809473e-01 4.22 -4.721894800e-01 -4.721894800e-01 4.24 -4.519658036e-01 -4.519658036e-01 4.26 -4.322133418e-01 -4.322133418e-01 4.28 -4.129428150e-01 -4.129428150e-01 4.30 -3.941712535e-01 -3.941712535e-01 4.32 -3.759205628e-01 -3.759205628e-01 4.34 -3.582157511e-01 -3.582157511e-01 4.36 -3.410829739e-01 -3.410829739e-01 4.38 -3.245475670e-01 -3.245475670e-01 4.40 -3.086322189e-01 -3.086322189e-01 4.42 -2.933553979e-01 -2.933553979e-01 4.44 -2.787300973e-01 -2.787300973e-01 4.46 -2.647629248e-01 -2.647629248e-01 4.48 -2.514535371e-01 -2.514535371e-01 4.50 -2.387944077e-01 -2.387944077e-01 4.52 -2.267709161e-01 -2.267709161e-01 4.54 -2.153617367e-01 -2.153617367e-01 4.56 -2.045395022e-01 -2.045395022e-01 4.58 -1.942716954e-01 -1.942716954e-01 4.60 -1.845217138e-01 -1.845217138e-01 4.62 -1.752500382e-01 -1.752500382e-01 4.64 -1.664154373e-01 -1.664154373e-01 4.66 -1.579761473e-01 -1.579761473e-01 4.68 -1.498909809e-01 -1.498909809e-01 4.70 -1.421203362e-01 -1.421203362e-01 4.72 -1.346270958e-01 -1.346270958e-01 4.74 -1.273774151e-01 -1.273774151e-01 4.76 -1.203414071e-01 -1.203414071e-01 4.78 -1.134937318e-01 -1.134937318e-01 4.80 -1.068140875e-01 -1.068140875e-01 4.82 -1.002876026e-01 -1.002876026e-01 4.84 -9.390508775e-02 -9.390508775e-02 4.86 -8.766313968e-02 -8.766313968e-02 4.88 -8.156403932e-02 -8.156403932e-02 4.90 -7.561541381e-02 -7.561541381e-02 4.92 -6.982963395e-02 -6.982963395e-02 4.94 -6.422294181e-02 -6.422294181e-02 4.96 -5.881432893e-02 -5.881432893e-02 4.98 -5.362398655e-02 -5.362398655e-02 5.00 -4.867239904e-02 -4.867239904e-02 5.02 -4.397887224e-02 -4.397887224e-02 5.04 -3.956005356e-02 -3.956005356e-02 5.06 -3.542890315e-02 -3.542890315e-02 5.08 -3.159397251e-02 -3.159397251e-02 5.10 -2.805902862e-02 -2.805902862e-02 5.12 -2.482301930e-02 -2.482301930e-02 5.14 -2.188034301e-02 -2.188034301e-02 5.16 -1.922135985e-02 -1.922135985e-02 5.18 -1.683306465e-02 -1.683306465e-02 5.20 -1.469982291e-02 -1.469982291e-02 5.22 -1.280390417e-02 -1.280390417e-02 5.24 -1.112688464e-02 -1.112688464e-02 5.26 -9.649945139e-03 -9.649945139e-03 5.28 -8.354286521e-03 -8.354286521e-03 5.30 -7.221599097e-03 -7.221599097e-03 5.32 -6.234413515e-03 -6.234413515e-03 5.34 -5.376343877e-03 -5.376343877e-03 5.36 -4.632238273e-03 -4.632238273e-03 5.38 -3.988253525e-03 -3.988253525e-03 5.40 -3.431870670e-03 -3.431870670e-03 5.42 -2.951866327e-03 -2.951866327e-03 5.44 -2.538253005e-03 -2.538253005e-03 5.46 -2.182199161e-03 -2.182199161e-03 5.48 -1.875937578e-03 -1.875937578e-03 5.50 -1.612668574e-03 -1.612668574e-03 5.52 -1.386462868e-03 -1.386462868e-03 5.54 -1.192167424e-03 -1.192167424e-03 5.56 -1.025316493e-03 -1.025316493e-03 5.58 -8.820491822e-04 -8.820491822e-04 5.60 -7.590342022e-04 -7.590342022e-04 5.62 -6.534020100e-04 -6.534020100e-04 5.64 -5.626842004e-04 -5.626842004e-04 5.66 -4.847598066e-04 -4.847598066e-04 5.68 -4.178080328e-04 -4.178080328e-04 5.70 -3.602668733e-04 -3.602668733e-04 5.72 -3.107970494e-04 -3.107970494e-04 5.74 -2.682506980e-04 -2.682506980e-04 5.76 -2.316442710e-04 -2.316442710e-04 5.78 -2.001351408e-04 -2.001351408e-04 5.80 -1.730014479e-04 -1.730014479e-04 5.82 -1.496247729e-04 -1.496247729e-04 5.84 -1.294752589e-04 -1.294752589e-04 5.86 -1.120988525e-04 -1.120988525e-04 5.88 -9.710637194e-05 -9.710637194e-05 5.90 -8.416414843e-05 -8.416414843e-05 5.92 -7.298601854e-05 -7.298601854e-05 5.94 -6.332647515e-05 -6.332647515e-05 5.96 -5.497481146e-05 -5.497481146e-05 5.98 -4.775011477e-05 -4.775011477e-05 6.00 -4.149698713e-05 -4.149698713e-05