# 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 = MgMoZr2 # 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 4.291545679e+02 4.291545679e+02 1.30 3.988879382e+02 3.988879382e+02 1.32 3.708280835e+02 3.708280835e+02 1.34 3.447968564e+02 3.447968564e+02 1.36 3.206309499e+02 3.206309499e+02 1.38 2.981815521e+02 2.981815521e+02 1.40 2.773137434e+02 2.773137434e+02 1.42 2.579047719e+02 2.579047719e+02 1.44 2.398421586e+02 2.398421586e+02 1.46 2.230229672e+02 2.230229672e+02 1.48 2.073539546e+02 2.073539546e+02 1.50 1.927512295e+02 1.927512295e+02 1.52 1.791390907e+02 1.791390907e+02 1.54 1.664487070e+02 1.664487070e+02 1.56 1.546172883e+02 1.546172883e+02 1.58 1.435877283e+02 1.435877283e+02 1.60 1.333079906e+02 1.333079906e+02 1.62 1.237299454e+02 1.237299454e+02 1.64 1.148080666e+02 1.148080666e+02 1.66 1.064985551e+02 1.064985551e+02 1.68 9.875909762e+01 9.875909762e+01 1.70 9.154922126e+01 9.154922126e+01 1.72 8.483074114e+01 8.483074114e+01 1.74 7.856810719e+01 7.856810719e+01 1.76 7.272849714e+01 7.272849714e+01 1.78 6.728175229e+01 6.728175229e+01 1.80 6.220013951e+01 6.220013951e+01 1.82 5.745809516e+01 5.745809516e+01 1.84 5.303186405e+01 5.303186405e+01 1.86 4.889939378e+01 4.889939378e+01 1.88 4.504035510e+01 4.504035510e+01 1.90 4.143622448e+01 4.143622448e+01 1.92 3.807038647e+01 3.807038647e+01 1.94 3.492845028e+01 3.492845028e+01 1.96 3.199651158e+01 3.199651158e+01 1.98 2.926299048e+01 2.926299048e+01 2.00 2.671572216e+01 2.671572216e+01 2.02 2.434268786e+01 2.434268786e+01 2.04 2.213260538e+01 2.213260538e+01 2.06 2.007472671e+01 2.007472671e+01 2.08 1.815875393e+01 1.815875393e+01 2.10 1.637481205e+01 1.637481205e+01 2.12 1.471350034e+01 1.471350034e+01 2.14 1.316598292e+01 1.316598292e+01 2.16 1.172411176e+01 1.172411176e+01 2.18 1.038048251e+01 1.038048251e+01 2.20 9.128421452e+00 9.128421452e+00 2.22 7.961881377e+00 7.961881377e+00 2.24 6.875334505e+00 6.875334505e+00 2.26 5.863694104e+00 5.863694104e+00 2.28 4.922257522e+00 4.922257522e+00 2.30 4.046712150e+00 4.046712150e+00 2.32 3.233063864e+00 3.233063864e+00 2.34 2.477646504e+00 2.477646504e+00 2.36 1.777035838e+00 1.777035838e+00 2.38 1.128005921e+00 1.128005921e+00 2.40 5.274827676e-01 5.274827676e-01 2.42 -2.749968029e-02 -2.749968029e-02 2.44 -5.398169203e-01 -5.398169203e-01 2.46 -1.012271457e+00 -1.012271457e+00 2.48 -1.447584337e+00 -1.447584337e+00 2.50 -1.848372865e+00 -1.848372865e+00 2.52 -2.217118533e+00 -2.217118533e+00 2.54 -2.556133207e+00 -2.556133207e+00 2.56 -2.867532287e+00 -2.867532287e+00 2.58 -3.153222948e+00 -3.153222948e+00 2.60 -3.414911964e+00 -3.414911964e+00 2.62 -3.654126410e+00 -3.654126410e+00 2.64 -3.872268416e+00 -3.872268416e+00 2.66 -4.070617834e+00 -4.070617834e+00 2.68 -4.250383871e+00 -4.250383871e+00 2.70 -4.412717457e+00 -4.412717457e+00 2.72 -4.558721063e+00 -4.558721063e+00 2.74 -4.689479237e+00 -4.689479237e+00 2.76 -4.806097271e+00 -4.806097271e+00 2.78 -4.909426130e+00 -4.909426130e+00 2.80 -5.000266754e+00 -5.000266754e+00 2.82 -5.079371579e+00 -5.079371579e+00 2.84 -5.147453363e+00 -5.147453363e+00 2.86 -5.205180668e+00 -5.205180668e+00 2.88 -5.253118960e+00 -5.253118960e+00 2.90 -5.291823909e+00 -5.291823909e+00 2.92 -5.321846294e+00 -5.321846294e+00 2.94 -5.343497329e+00 -5.343497329e+00 2.96 -5.357064246e+00 -5.357064246e+00 2.98 -5.362845730e+00 -5.362845730e+00 3.00 -5.361144352e+00 -5.361144352e+00 3.02 -5.352260445e+00 -5.352260445e+00 3.04 -5.336484048e+00 -5.336484048e+00 3.06 -5.314110046e+00 -5.314110046e+00 3.08 -5.285373216e+00 -5.285373216e+00 3.10 -5.250422515e+00 -5.250422515e+00 3.12 -5.209411277e+00 -5.209411277e+00 3.14 -5.162533580e+00 -5.162533580e+00 3.16 -5.109997000e+00 -5.109997000e+00 3.18 -5.052043527e+00 -5.052043527e+00 3.20 -4.988943449e+00 -4.988943449e+00 3.22 -4.920994578e+00 -4.920994578e+00 3.24 -4.848522051e+00 -4.848522051e+00 3.26 -4.771878954e+00 -4.771878954e+00 3.28 -4.691446997e+00 -4.691446997e+00 3.30 -4.607635707e+00 -4.607635707e+00 3.32 -4.520878701e+00 -4.520878701e+00 3.34 -4.431626684e+00 -4.431626684e+00 3.36 -4.340338245e+00 -4.340338245e+00 3.38 -4.247470467e+00 -4.247470467e+00 3.40 -4.153469430e+00 -4.153469430e+00 3.42 -4.058772339e+00 -4.058772339e+00 3.44 -3.963792436e+00 -3.963792436e+00 3.46 -3.868924692e+00 -3.868924692e+00 3.48 -3.774540401e+00 -3.774540401e+00 3.50 -3.680982837e+00 -3.680982837e+00 3.52 -3.588561951e+00 -3.588561951e+00 3.54 -3.497548868e+00 -3.497548868e+00 3.56 -3.408171168e+00 -3.408171168e+00 3.58 -3.320609831e+00 -3.320609831e+00 3.60 -3.234998363e+00 -3.234998363e+00 3.62 -3.151424274e+00 -3.151424274e+00 3.64 -3.069932705e+00 -3.069932705e+00 3.66 -2.990531816e+00 -2.990531816e+00 3.68 -2.913199434e+00 -2.913199434e+00 3.70 -2.837890477e+00 -2.837890477e+00 3.72 -2.764544701e+00 -2.764544701e+00 3.74 -2.693094396e+00 -2.693094396e+00 3.76 -2.623474676e+00 -2.623474676e+00 3.78 -2.555634783e+00 -2.555634783e+00 3.80 -2.489516859e+00 -2.489516859e+00 3.82 -2.425077528e+00 -2.425077528e+00 3.84 -2.362291396e+00 -2.362291396e+00 3.86 -2.301149703e+00 -2.301149703e+00 3.88 -2.241656514e+00 -2.241656514e+00 3.90 -2.183822946e+00 -2.183822946e+00 3.92 -2.127656652e+00 -2.127656652e+00 3.94 -2.073170754e+00 -2.073170754e+00 3.96 -2.020353859e+00 -2.020353859e+00 3.98 -1.969180441e+00 -1.969180441e+00 4.00 -1.919598257e+00 -1.919598257e+00 4.02 -1.871541602e+00 -1.871541602e+00 4.04 -1.824936577e+00 -1.824936577e+00 4.06 -1.779704521e+00 -1.779704521e+00 4.08 -1.735765551e+00 -1.735765551e+00 4.10 -1.693034275e+00 -1.693034275e+00 4.12 -1.651453129e+00 -1.651453129e+00 4.14 -1.610945210e+00 -1.610945210e+00 4.16 -1.571449463e+00 -1.571449463e+00 4.18 -1.532911847e+00 -1.532911847e+00 4.20 -1.495285170e+00 -1.495285170e+00 4.22 -1.458528618e+00 -1.458528618e+00 4.24 -1.422607113e+00 -1.422607113e+00 4.26 -1.387490574e+00 -1.387490574e+00 4.28 -1.353153175e+00 -1.353153175e+00 4.30 -1.319572627e+00 -1.319572627e+00 4.32 -1.286729518e+00 -1.286729518e+00 4.34 -1.254606737e+00 -1.254606737e+00 4.36 -1.223188967e+00 -1.223188967e+00 4.38 -1.192462267e+00 -1.192462267e+00 4.40 -1.162413721e+00 -1.162413721e+00 4.42 -1.133031156e+00 -1.133031156e+00 4.44 -1.104302912e+00 -1.104302912e+00 4.46 -1.076217673e+00 -1.076217673e+00 4.48 -1.048764317e+00 -1.048764317e+00 4.50 -1.021931821e+00 -1.021931821e+00 4.52 -9.957091797e-01 -9.957091797e-01 4.54 -9.700853516e-01 -9.700853516e-01 4.56 -9.450492262e-01 -9.450492262e-01 4.58 -9.205896066e-01 -9.205896066e-01 4.60 -8.966952081e-01 -8.966952081e-01 4.62 -8.733546700e-01 -8.733546700e-01 4.64 -8.505565789e-01 -8.505565789e-01 4.66 -8.282895019e-01 -8.282895019e-01 4.68 -8.065420259e-01 -8.065420259e-01 4.70 -7.853028019e-01 -7.853028019e-01 4.72 -7.645605891e-01 -7.645605891e-01 4.74 -7.443042965e-01 -7.443042965e-01 4.76 -7.245230174e-01 -7.245230174e-01 4.78 -7.052060547e-01 -7.052060547e-01 4.80 -6.863366285e-01 -6.863366285e-01 4.82 -6.679181658e-01 -6.679181658e-01 4.84 -6.499330621e-01 -6.499330621e-01 4.86 -6.323714864e-01 -6.323714864e-01 4.88 -6.152237453e-01 -6.152237453e-01 4.90 -5.984802382e-01 -5.984802382e-01 4.92 -5.821314082e-01 -5.821314082e-01 4.94 -5.661676909e-01 -5.661676909e-01 4.96 -5.505794643e-01 -5.505794643e-01 4.98 -5.353570042e-01 -5.353570042e-01 5.00 -5.204904453e-01 -5.204904453e-01 5.02 -5.059697522e-01 -5.059697522e-01 5.04 -4.917847008e-01 -4.917847008e-01 5.06 -4.779248729e-01 -4.779248729e-01 5.08 -4.643796651e-01 -4.643796651e-01 5.10 -4.511383140e-01 -4.511383140e-01 5.12 -4.381899408e-01 -4.381899408e-01 5.14 -4.255236166e-01 -4.255236166e-01 5.16 -4.131284527e-01 -4.131284527e-01 5.18 -4.009937167e-01 -4.009937167e-01 5.20 -3.891089793e-01 -3.891089793e-01 5.22 -3.774642900e-01 -3.774642900e-01 5.24 -3.660503849e-01 -3.660503849e-01 5.26 -3.548589206e-01 -3.548589206e-01 5.28 -3.438827296e-01 -3.438827296e-01 5.30 -3.331160857e-01 -3.331160857e-01 5.32 -3.225549624e-01 -3.225549624e-01 5.34 -3.121972646e-01 -3.121972646e-01 5.36 -3.020430045e-01 -3.020430045e-01 5.38 -2.920943963e-01 -2.920943963e-01 5.40 -2.823558385e-01 -2.823558385e-01 5.42 -2.728337619e-01 -2.728337619e-01 5.44 -2.635363292e-01 -2.635363292e-01 5.46 -2.544729862e-01 -2.544729862e-01 5.48 -2.456538843e-01 -2.456538843e-01 5.50 -2.370892091e-01 -2.370892091e-01 5.52 -2.287884677e-01 -2.287884677e-01 5.54 -2.207597955e-01 -2.207597955e-01 5.56 -2.130093428e-01 -2.130093428e-01 5.58 -2.055407943e-01 -2.055407943e-01 5.60 -1.983550591e-01 -1.983550591e-01 5.62 -1.914501452e-01 -1.914501452e-01 5.64 -1.848212141e-01 -1.848212141e-01 5.66 -1.784607894e-01 -1.784607894e-01 5.68 -1.723590837e-01 -1.723590837e-01 5.70 -1.665044002e-01 -1.665044002e-01 5.72 -1.608834555e-01 -1.608834555e-01 5.74 -1.554819481e-01 -1.554819481e-01 5.76 -1.502851203e-01 -1.502851203e-01 5.78 -1.452778830e-01 -1.452778830e-01 5.80 -1.404451137e-01 -1.404451137e-01 5.82 -1.357718925e-01 -1.357718925e-01 5.84 -1.312436785e-01 -1.312436785e-01 5.86 -1.268464354e-01 -1.268464354e-01 5.88 -1.225667153e-01 -1.225667153e-01 5.90 -1.183917132e-01 -1.183917132e-01 5.92 -1.143093022e-01 -1.143093022e-01 5.94 -1.103080581e-01 -1.103080581e-01 5.96 -1.063772846e-01 -1.063772846e-01 5.98 -1.025070435e-01 -1.025070435e-01 6.00 -9.868819744e-02 -9.868819744e-02