# 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 = AuNi2Ti # 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 1.973462017e+02 1.973462017e+02 1.30 1.820495031e+02 1.820495031e+02 1.32 1.679225049e+02 1.679225049e+02 1.34 1.548676843e+02 1.548676843e+02 1.36 1.427980088e+02 1.427980088e+02 1.38 1.316358523e+02 1.316358523e+02 1.40 1.213110590e+02 1.213110590e+02 1.42 1.117590449e+02 1.117590449e+02 1.44 1.029195802e+02 1.029195802e+02 1.46 9.473653681e+01 9.473653681e+01 1.48 8.715830877e+01 8.715830877e+01 1.50 8.013821585e+01 8.013821585e+01 1.52 7.363427315e+01 7.363427315e+01 1.54 6.760822722e+01 6.760822722e+01 1.56 6.202438293e+01 6.202438293e+01 1.58 5.684889561e+01 5.684889561e+01 1.60 5.204976861e+01 5.204976861e+01 1.62 4.759729869e+01 4.759729869e+01 1.64 4.346448818e+01 4.346448818e+01 1.66 3.962706169e+01 3.962706169e+01 1.68 3.606308072e+01 3.606308072e+01 1.70 3.275242134e+01 3.275242134e+01 1.72 2.968365510e+01 2.968365510e+01 1.74 2.684644540e+01 2.684644540e+01 1.76 2.422347456e+01 2.422347456e+01 1.78 2.179910076e+01 2.179910076e+01 1.80 1.955925666e+01 1.955925666e+01 1.82 1.749118494e+01 1.749118494e+01 1.84 1.558313329e+01 1.558313329e+01 1.86 1.382410670e+01 1.382410670e+01 1.88 1.220368780e+01 1.220368780e+01 1.90 1.071190751e+01 1.071190751e+01 1.92 9.339169944e+00 9.339169944e+00 1.94 8.076259055e+00 8.076259055e+00 1.96 6.914432140e+00 6.914432140e+00 1.98 5.845559085e+00 5.845559085e+00 2.00 4.862231633e+00 4.862231633e+00 2.02 3.957787905e+00 3.957787905e+00 2.04 3.126255203e+00 3.126255203e+00 2.06 2.362255129e+00 2.362255129e+00 2.08 1.660914810e+00 1.660914810e+00 2.10 1.017800930e+00 1.017800930e+00 2.12 4.288694617e-01 4.288694617e-01 2.14 -1.095834876e-01 -1.095834876e-01 2.16 -6.009748505e-01 -6.009748505e-01 2.18 -1.048488518e+00 -1.048488518e+00 2.20 -1.455123344e+00 -1.455123344e+00 2.22 -1.823730632e+00 -1.823730632e+00 2.24 -2.157038471e+00 -2.157038471e+00 2.26 -2.457663627e+00 -2.457663627e+00 2.28 -2.728113907e+00 -2.728113907e+00 2.30 -2.970784626e+00 -2.970784626e+00 2.32 -3.187951072e+00 -3.187951072e+00 2.34 -3.381755948e+00 -3.381755948e+00 2.36 -3.554192683e+00 -3.554192683e+00 2.38 -3.707087329e+00 -3.707087329e+00 2.40 -3.842086361e+00 -3.842086361e+00 2.42 -3.960657076e+00 -3.960657076e+00 2.44 -4.064102582e+00 -4.064102582e+00 2.46 -4.153587771e+00 -4.153587771e+00 2.48 -4.230168731e+00 -4.230168731e+00 2.50 -4.294831943e+00 -4.294831943e+00 2.52 -4.348538037e+00 -4.348538037e+00 2.54 -4.392081691e+00 -4.392081691e+00 2.56 -4.426212222e+00 -4.426212222e+00 2.58 -4.451651520e+00 -4.451651520e+00 2.60 -4.469088954e+00 -4.469088954e+00 2.62 -4.479177857e+00 -4.479177857e+00 2.64 -4.482539138e+00 -4.482539138e+00 2.66 -4.479746238e+00 -4.479746238e+00 2.68 -4.471291335e+00 -4.471291335e+00 2.70 -4.457521805e+00 -4.457521805e+00 2.72 -4.438798089e+00 -4.438798089e+00 2.74 -4.415463095e+00 -4.415463095e+00 2.76 -4.387654084e+00 -4.387654084e+00 2.78 -4.355488815e+00 -4.355488815e+00 2.80 -4.319138025e+00 -4.319138025e+00 2.82 -4.278801534e+00 -4.278801534e+00 2.84 -4.234685829e+00 -4.234685829e+00 2.86 -4.186998391e+00 -4.186998391e+00 2.88 -4.135949060e+00 -4.135949060e+00 2.90 -4.081750996e+00 -4.081750996e+00 2.92 -4.024623345e+00 -4.024623345e+00 2.94 -3.964794199e+00 -3.964794199e+00 2.96 -3.902503261e+00 -3.902503261e+00 2.98 -3.838003992e+00 -3.838003992e+00 3.00 -3.771564752e+00 -3.771564752e+00 3.02 -3.703467896e+00 -3.703467896e+00 3.04 -3.634005619e+00 -3.634005619e+00 3.06 -3.563472331e+00 -3.563472331e+00 3.08 -3.492153983e+00 -3.492153983e+00 3.10 -3.420317356e+00 -3.420317356e+00 3.12 -3.348201255e+00 -3.348201255e+00 3.14 -3.276011889e+00 -3.276011889e+00 3.16 -3.203922180e+00 -3.203922180e+00 3.18 -3.132074908e+00 -3.132074908e+00 3.20 -3.060587537e+00 -3.060587537e+00 3.22 -2.989557490e+00 -2.989557490e+00 3.24 -2.919066823e+00 -2.919066823e+00 3.26 -2.849185808e+00 -2.849185808e+00 3.28 -2.779975377e+00 -2.779975377e+00 3.30 -2.711488613e+00 -2.711488613e+00 3.32 -2.643771574e+00 -2.643771574e+00 3.34 -2.576863732e+00 -2.576863732e+00 3.36 -2.510798284e+00 -2.510798284e+00 3.38 -2.445602516e+00 -2.445602516e+00 3.40 -2.381298353e+00 -2.381298353e+00 3.42 -2.317903287e+00 -2.317903287e+00 3.44 -2.255431483e+00 -2.255431483e+00 3.46 -2.193895320e+00 -2.193895320e+00 3.48 -2.133306964e+00 -2.133306964e+00 3.50 -2.073679807e+00 -2.073679807e+00 3.52 -2.015029392e+00 -2.015029392e+00 3.54 -1.957373514e+00 -1.957373514e+00 3.56 -1.900731311e+00 -1.900731311e+00 3.58 -1.845121450e+00 -1.845121450e+00 3.60 -1.790559794e+00 -1.790559794e+00 3.62 -1.737057158e+00 -1.737057158e+00 3.64 -1.684617747e+00 -1.684617747e+00 3.66 -1.633238704e+00 -1.633238704e+00 3.68 -1.582910868e+00 -1.582910868e+00 3.70 -1.533620579e+00 -1.533620579e+00 3.72 -1.485352161e+00 -1.485352161e+00 3.74 -1.438090695e+00 -1.438090695e+00 3.76 -1.391824709e+00 -1.391824709e+00 3.78 -1.346548481e+00 -1.346548481e+00 3.80 -1.302263688e+00 -1.302263688e+00 3.82 -1.258980183e+00 -1.258980183e+00 3.84 -1.216715719e+00 -1.216715719e+00 3.86 -1.175494536e+00 -1.175494536e+00 3.88 -1.135344853e+00 -1.135344853e+00 3.90 -1.096295519e+00 -1.096295519e+00 3.92 -1.058372217e+00 -1.058372217e+00 3.94 -1.021593869e+00 -1.021593869e+00 3.96 -9.859694550e-01 -9.859694550e-01 3.98 -9.514961015e-01 -9.514961015e-01 4.00 -9.181582989e-01 -9.181582989e-01 4.02 -8.859283490e-01 -8.859283490e-01 4.04 -8.547678034e-01 -8.547678034e-01 4.06 -8.246295582e-01 -8.246295582e-01 4.08 -7.954602580e-01 -7.954602580e-01 4.10 -7.672026500e-01 -7.672026500e-01 4.12 -7.397980771e-01 -7.397980771e-01 4.14 -7.131879868e-01 -7.131879868e-01 4.16 -6.873158249e-01 -6.873158249e-01 4.18 -6.621282488e-01 -6.621282488e-01 4.20 -6.375761591e-01 -6.375761591e-01 4.22 -6.136155264e-01 -6.136155264e-01 4.24 -5.902080610e-01 -5.902080610e-01 4.26 -5.673217599e-01 -5.673217599e-01 4.28 -5.449313557e-01 -5.449313557e-01 4.30 -5.230186754e-01 -5.230186754e-01 4.32 -5.015729099e-01 -5.015729099e-01 4.34 -4.805907782e-01 -4.805907782e-01 4.36 -4.600765516e-01 -4.600765516e-01 4.38 -4.400418829e-01 -4.400418829e-01 4.40 -4.205053645e-01 -4.205053645e-01 4.42 -4.014917282e-01 -4.014917282e-01 4.44 -3.830306115e-01 -3.830306115e-01 4.46 -3.651548574e-01 -3.651548574e-01 4.48 -3.478983818e-01 -3.478983818e-01 4.50 -3.312937312e-01 -3.312937312e-01 4.52 -3.153695350e-01 -3.153695350e-01 4.54 -3.001481110e-01 -3.001481110e-01 4.56 -2.856434897e-01 -2.856434897e-01 4.58 -2.718600773e-01 -2.718600773e-01 4.60 -2.587920846e-01 -2.587920846e-01 4.62 -2.464237439e-01 -2.464237439e-01 4.64 -2.347302250e-01 -2.347302250e-01 4.66 -2.236790906e-01 -2.236790906e-01 4.68 -2.132320854e-01 -2.132320854e-01 4.70 -2.033470629e-01 -2.033470629e-01 4.72 -1.939798759e-01 -1.939798759e-01 4.74 -1.850860502e-01 -1.850860502e-01 4.76 -1.766221158e-01 -1.766221158e-01 4.78 -1.685475347e-01 -1.685475347e-01 4.80 -1.608250549e-01 -1.608250549e-01 4.82 -1.534215403e-01 -1.534215403e-01 4.84 -1.463082102e-01 -1.463082102e-01 4.86 -1.394611275e-01 -1.394611275e-01 4.88 -1.328612461e-01 -1.328612461e-01 4.90 -1.264943312e-01 -1.264943312e-01 4.92 -1.203507121e-01 -1.203507121e-01 4.94 -1.144248731e-01 -1.144248731e-01 4.96 -1.087148929e-01 -1.087148929e-01 4.98 -1.032217458e-01 -1.032217458e-01 5.00 -9.794849532e-02 -9.794849532e-02 5.02 -9.289941927e-02 -9.289941927e-02 5.04 -8.807911961e-02 -8.807911961e-02 5.06 -8.349167715e-02 -8.349167715e-02 5.08 -7.913990654e-02 -7.913990654e-02 5.10 -7.502462807e-02 -7.502462807e-02 5.12 -7.114460902e-02 -7.114460902e-02 5.14 -6.749627411e-02 -6.749627411e-02 5.16 -6.407360912e-02 -6.407360912e-02 5.18 -6.086835298e-02 -6.086835298e-02 5.20 -5.787031841e-02 -5.787031841e-02 5.22 -5.506779298e-02 -5.506779298e-02 5.24 -5.244797337e-02 -5.244797337e-02 5.26 -4.999739255e-02 -4.999739255e-02 5.28 -4.770230979e-02 -4.770230979e-02 5.30 -4.554904431e-02 -4.554904431e-02 5.32 -4.352424338e-02 -4.352424338e-02 5.34 -4.161508435e-02 -4.161508435e-02 5.36 -3.980941543e-02 -3.980941543e-02 5.38 -3.809584417e-02 -3.809584417e-02 5.40 -3.646378389e-02 -3.646378389e-02 5.42 -3.490346903e-02 -3.490346903e-02 5.44 -3.340594941e-02 -3.340594941e-02 5.46 -3.196307253e-02 -3.196307253e-02 5.48 -3.056746133e-02 -3.056746133e-02 5.50 -2.921249352e-02 -2.921249352e-02 5.52 -2.789228695e-02 -2.789228695e-02 5.54 -2.660169388e-02 -2.660169388e-02 5.56 -2.533630563e-02 -2.533630563e-02 5.58 -2.409246710e-02 -2.409246710e-02 5.60 -2.286730025e-02 -2.286730025e-02 5.62 -2.165873241e-02 -2.165873241e-02 5.64 -2.046552469e-02 -2.046552469e-02 5.66 -1.928729406e-02 -1.928729406e-02 5.68 -1.812452164e-02 -1.812452164e-02 5.70 -1.697853936e-02 -1.697853936e-02 5.72 -1.585148763e-02 -1.585148763e-02 5.74 -1.474623809e-02 -1.474623809e-02 5.76 -1.366627838e-02 -1.366627838e-02 5.78 -1.261543744e-02 -1.261543744e-02 5.80 -1.159789235e-02 -1.159789235e-02 5.82 -1.061801672e-02 -1.061801672e-02 5.84 -9.680031786e-03 -9.680031786e-03 5.86 -8.787795705e-03 -8.787795705e-03 5.88 -7.944615616e-03 -7.944615616e-03 5.90 -7.153096448e-03 -7.153096448e-03 5.92 -6.415036709e-03 -6.415036709e-03 5.94 -5.731376323e-03 -5.731376323e-03 5.96 -5.102196219e-03 -5.102196219e-03 5.98 -4.526764441e-03 -4.526764441e-03 6.00 -4.003619868e-03 -4.003619868e-03