# 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 = MgTi2Zr # 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 3.675401302e+02 3.675401302e+02 1.30 3.410980846e+02 3.410980846e+02 1.32 3.166063793e+02 3.166063793e+02 1.34 2.939081189e+02 2.939081189e+02 1.36 2.728601524e+02 2.728601524e+02 1.38 2.533331480e+02 2.533331480e+02 1.40 2.352101120e+02 2.352101120e+02 1.42 2.183840144e+02 2.183840144e+02 1.44 2.027562664e+02 2.027562664e+02 1.46 1.882363954e+02 1.882363954e+02 1.48 1.747418056e+02 1.747418056e+02 1.50 1.621968606e+02 1.621968606e+02 1.52 1.505317149e+02 1.505317149e+02 1.54 1.396815014e+02 1.396815014e+02 1.56 1.295862216e+02 1.295862216e+02 1.58 1.201909376e+02 1.201909376e+02 1.60 1.114456252e+02 1.114456252e+02 1.62 1.033045346e+02 1.033045346e+02 1.64 9.572541812e+01 9.572541812e+01 1.66 8.866886868e+01 8.866886868e+01 1.68 8.209788272e+01 8.209788272e+01 1.70 7.597779871e+01 7.597779871e+01 1.72 7.027643550e+01 7.027643550e+01 1.74 6.496427206e+01 6.496427206e+01 1.76 6.001438553e+01 6.001438553e+01 1.78 5.540213395e+01 5.540213395e+01 1.80 5.110471373e+01 5.110471373e+01 1.82 4.710081952e+01 4.710081952e+01 1.84 4.337040594e+01 4.337040594e+01 1.86 3.989477102e+01 3.989477102e+01 1.88 3.665683720e+01 3.665683720e+01 1.90 3.364064319e+01 3.364064319e+01 1.92 3.083115192e+01 3.083115192e+01 1.94 2.821420029e+01 2.821420029e+01 1.96 2.577673284e+01 2.577673284e+01 1.98 2.350665298e+01 2.350665298e+01 2.00 2.139278442e+01 2.139278442e+01 2.02 1.942479665e+01 1.942479665e+01 2.04 1.759308401e+01 1.759308401e+01 2.06 1.588865105e+01 1.588865105e+01 2.08 1.430303937e+01 1.430303937e+01 2.10 1.282831830e+01 1.282831830e+01 2.12 1.145709366e+01 1.145709366e+01 2.14 1.018250979e+01 1.018250979e+01 2.16 8.998236602e+00 8.998236602e+00 2.18 7.898419452e+00 7.898419452e+00 2.20 6.877613423e+00 6.877613423e+00 2.22 5.930696209e+00 5.930696209e+00 2.24 5.052804588e+00 5.052804588e+00 2.26 4.239308133e+00 4.239308133e+00 2.28 3.485804412e+00 3.485804412e+00 2.30 2.788170006e+00 2.788170006e+00 2.32 2.142560409e+00 2.142560409e+00 2.34 1.545444504e+00 1.545444504e+00 2.36 9.935815102e-01 9.935815102e-01 2.38 4.839961062e-01 4.839961062e-01 2.40 1.393504385e-02 1.393504385e-02 2.42 -4.191854248e-01 -4.191854248e-01 2.44 -8.178165186e-01 -8.178165186e-01 2.46 -1.184305269e+00 -1.184305269e+00 2.48 -1.520897819e+00 -1.520897819e+00 2.50 -1.829728123e+00 -1.829728123e+00 2.52 -2.112799734e+00 -2.112799734e+00 2.54 -2.371969015e+00 -2.371969015e+00 2.56 -2.608935343e+00 -2.608935343e+00 2.58 -2.825241225e+00 -2.825241225e+00 2.60 -3.022282834e+00 -3.022282834e+00 2.62 -3.201326796e+00 -3.201326796e+00 2.64 -3.363541524e+00 -3.363541524e+00 2.66 -3.510059187e+00 -3.510059187e+00 2.68 -3.641874540e+00 -3.641874540e+00 2.70 -3.759888473e+00 -3.759888473e+00 2.72 -3.864969502e+00 -3.864969502e+00 2.74 -3.957953895e+00 -3.957953895e+00 2.76 -4.039643094e+00 -4.039643094e+00 2.78 -4.110798338e+00 -4.110798338e+00 2.80 -4.172143894e+00 -4.172143894e+00 2.82 -4.224334758e+00 -4.224334758e+00 2.84 -4.267958942e+00 -4.267958942e+00 2.86 -4.303442353e+00 -4.303442353e+00 2.88 -4.331159792e+00 -4.331159792e+00 2.90 -4.351500344e+00 -4.351500344e+00 2.92 -4.364864718e+00 -4.364864718e+00 2.94 -4.371663399e+00 -4.371663399e+00 2.96 -4.372315770e+00 -4.372315770e+00 2.98 -4.367250032e+00 -4.367250032e+00 3.00 -4.356901775e+00 -4.356901775e+00 3.02 -4.341642241e+00 -4.341642241e+00 3.04 -4.321744895e+00 -4.321744895e+00 3.06 -4.297505859e+00 -4.297505859e+00 3.08 -4.269223271e+00 -4.269223271e+00 3.10 -4.237191606e+00 -4.237191606e+00 3.12 -4.201685586e+00 -4.201685586e+00 3.14 -4.162963838e+00 -4.162963838e+00 3.16 -4.121256065e+00 -4.121256065e+00 3.18 -4.076777220e+00 -4.076777220e+00 3.20 -4.029730892e+00 -4.029730892e+00 3.22 -3.980315407e+00 -3.980315407e+00 3.24 -3.928729203e+00 -3.928729203e+00 3.26 -3.875174962e+00 -3.875174962e+00 3.28 -3.819861844e+00 -3.819861844e+00 3.30 -3.763005120e+00 -3.763005120e+00 3.32 -3.704822785e+00 -3.704822785e+00 3.34 -3.645529531e+00 -3.645529531e+00 3.36 -3.585329436e+00 -3.585329436e+00 3.38 -3.524409272e+00 -3.524409272e+00 3.40 -3.462933305e+00 -3.462933305e+00 3.42 -3.401046470e+00 -3.401046470e+00 3.44 -3.338870596e+00 -3.338870596e+00 3.46 -3.276513903e+00 -3.276513903e+00 3.48 -3.214075794e+00 -3.214075794e+00 3.50 -3.151652422e+00 -3.151652422e+00 3.52 -3.089340659e+00 -3.089340659e+00 3.54 -3.027239720e+00 -3.027239720e+00 3.56 -2.965450219e+00 -2.965450219e+00 3.58 -2.904071037e+00 -2.904071037e+00 3.60 -2.843194866e+00 -2.843194866e+00 3.62 -2.782903630e+00 -2.782903630e+00 3.64 -2.723267136e+00 -2.723267136e+00 3.66 -2.664351172e+00 -2.664351172e+00 3.68 -2.606182447e+00 -2.606182447e+00 3.70 -2.548771753e+00 -2.548771753e+00 3.72 -2.492122496e+00 -2.492122496e+00 3.74 -2.436234521e+00 -2.436234521e+00 3.76 -2.381107984e+00 -2.381107984e+00 3.78 -2.326746782e+00 -2.326746782e+00 3.80 -2.273161203e+00 -2.273161203e+00 3.82 -2.220369416e+00 -2.220369416e+00 3.84 -2.168391216e+00 -2.168391216e+00 3.86 -2.117238104e+00 -2.117238104e+00 3.88 -2.066928634e+00 -2.066928634e+00 3.90 -2.017487515e+00 -2.017487515e+00 3.92 -1.968940407e+00 -1.968940407e+00 3.94 -1.921313914e+00 -1.921313914e+00 3.96 -1.874625893e+00 -1.874625893e+00 3.98 -1.828887842e+00 -1.828887842e+00 4.00 -1.784102889e+00 -1.784102889e+00 4.02 -1.740266172e+00 -1.740266172e+00 4.04 -1.697366065e+00 -1.697366065e+00 4.06 -1.655385864e+00 -1.655385864e+00 4.08 -1.614305562e+00 -1.614305562e+00 4.10 -1.574098704e+00 -1.574098704e+00 4.12 -1.534753565e+00 -1.534753565e+00 4.14 -1.496242666e+00 -1.496242666e+00 4.16 -1.458545437e+00 -1.458545437e+00 4.18 -1.421642619e+00 -1.421642619e+00 4.20 -1.385516327e+00 -1.385516327e+00 4.22 -1.350149977e+00 -1.350149977e+00 4.24 -1.315528142e+00 -1.315528142e+00 4.26 -1.281636379e+00 -1.281636379e+00 4.28 -1.248461072e+00 -1.248461072e+00 4.30 -1.215989290e+00 -1.215989290e+00 4.32 -1.184208697e+00 -1.184208697e+00 4.34 -1.153107479e+00 -1.153107479e+00 4.36 -1.122674316e+00 -1.122674316e+00 4.38 -1.092898349e+00 -1.092898349e+00 4.40 -1.063769159e+00 -1.063769159e+00 4.42 -1.035276737e+00 -1.035276737e+00 4.44 -1.007411424e+00 -1.007411424e+00 4.46 -9.801638415e-01 -9.801638415e-01 4.48 -9.535247928e-01 -9.535247928e-01 4.50 -9.274851506e-01 -9.274851506e-01 4.52 -9.020357353e-01 -9.020357353e-01 4.54 -8.771671937e-01 -8.771671937e-01 4.56 -8.528698857e-01 -8.528698857e-01 4.58 -8.291337895e-01 -8.291337895e-01 4.60 -8.059484288e-01 -8.059484288e-01 4.62 -7.833028283e-01 -7.833028283e-01 4.64 -7.611855003e-01 -7.611855003e-01 4.66 -7.395844616e-01 -7.395844616e-01 4.68 -7.184872833e-01 -7.184872833e-01 4.70 -6.978811709e-01 -6.978811709e-01 4.72 -6.777530752e-01 -6.777530752e-01 4.74 -6.580898313e-01 -6.580898313e-01 4.76 -6.388783273e-01 -6.388783273e-01 4.78 -6.201056979e-01 -6.201056979e-01 4.80 -6.017562575e-01 -6.017562575e-01 4.82 -5.838254478e-01 -5.838254478e-01 4.84 -5.662986010e-01 -5.662986010e-01 4.86 -5.491662295e-01 -5.491662295e-01 4.88 -5.324203121e-01 -5.324203121e-01 4.90 -5.160545066e-01 -5.160545066e-01 4.92 -5.000643002e-01 -5.000643002e-01 4.94 -4.844470654e-01 -4.844470654e-01 4.96 -4.692019942e-01 -4.692019942e-01 4.98 -4.543298848e-01 -4.543298848e-01 5.00 -4.398327744e-01 -4.398327744e-01 5.02 -4.257134258e-01 -4.257134258e-01 5.04 -4.119747032e-01 -4.119747032e-01 5.06 -3.986188889e-01 -3.986188889e-01 5.08 -3.856470093e-01 -3.856470093e-01 5.10 -3.730582432e-01 -3.730582432e-01 5.12 -3.608494742e-01 -3.608494742e-01 5.14 -3.490150320e-01 -3.490150320e-01 5.16 -3.375466411e-01 -3.375466411e-01 5.18 -3.264335675e-01 -3.264335675e-01 5.20 -3.156629342e-01 -3.156629342e-01 5.22 -3.052201610e-01 -3.052201610e-01 5.24 -2.950894793e-01 -2.950894793e-01 5.26 -2.852544743e-01 -2.852544743e-01 5.28 -2.756986164e-01 -2.756986164e-01 5.30 -2.664057513e-01 -2.664057513e-01 5.32 -2.573605272e-01 -2.573605272e-01 5.34 -2.485487461e-01 -2.485487461e-01 5.36 -2.399576297e-01 -2.399576297e-01 5.38 -2.315759943e-01 -2.315759943e-01 5.40 -2.233943304e-01 -2.233943304e-01 5.42 -2.154047889e-01 -2.154047889e-01 5.44 -2.076010745e-01 -2.076010745e-01 5.46 -1.999782589e-01 -1.999782589e-01 5.48 -1.925325301e-01 -1.925325301e-01 5.50 -1.852609016e-01 -1.852609016e-01 5.52 -1.781609151e-01 -1.781609151e-01 5.54 -1.712303688e-01 -1.712303688e-01 5.56 -1.644671038e-01 -1.644671038e-01 5.58 -1.578688767e-01 -1.578688767e-01 5.60 -1.514333302e-01 -1.514333302e-01 5.62 -1.451580648e-01 -1.451580648e-01 5.64 -1.390407962e-01 -1.390407962e-01 5.66 -1.330795730e-01 -1.330795730e-01 5.68 -1.272730158e-01 -1.272730158e-01 5.70 -1.216205402e-01 -1.216205402e-01 5.72 -1.161225211e-01 -1.161225211e-01 5.74 -1.107803668e-01 -1.107803668e-01 5.76 -1.055964787e-01 -1.055964787e-01 5.78 -1.005740911e-01 -1.005740911e-01 5.80 -9.571699471e-02 -9.571699471e-02 5.82 -9.102917160e-02 -9.102917160e-02 5.84 -8.651435826e-02 -8.651435826e-02 5.86 -8.217561265e-02 -8.217561265e-02 5.88 -7.801490422e-02 -7.801490422e-02 5.90 -7.403277275e-02 -7.403277275e-02 5.92 -7.022804700e-02 -7.022804700e-02 5.94 -6.659735587e-02 -6.659735587e-02 5.96 -6.313567011e-02 -6.313567011e-02 5.98 -5.983715326e-02 -5.983715326e-02 6.00 -5.669436667e-02 -5.669436667e-02