# 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 = Au2MgMo # 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 3.956517231e+02 3.956517231e+02 1.30 3.668136719e+02 3.668136719e+02 1.32 3.401073239e+02 3.401073239e+02 1.34 3.153606046e+02 3.153606046e+02 1.36 2.924194426e+02 2.924194426e+02 1.38 2.711456616e+02 2.711456616e+02 1.40 2.514140120e+02 2.514140120e+02 1.42 2.331089350e+02 2.331089350e+02 1.44 2.161223057e+02 2.161223057e+02 1.46 2.003525125e+02 2.003525125e+02 1.48 1.857045219e+02 1.857045219e+02 1.50 1.720905437e+02 1.720905437e+02 1.52 1.594306936e+02 1.594306936e+02 1.54 1.476529323e+02 1.476529323e+02 1.56 1.366921540e+02 1.366921540e+02 1.58 1.264888870e+02 1.264888870e+02 1.60 1.169881465e+02 1.169881465e+02 1.62 1.081386314e+02 1.081386314e+02 1.64 9.989223974e+01 9.989223974e+01 1.66 9.220385033e+01 9.220385033e+01 1.68 8.503139435e+01 8.503139435e+01 1.70 7.833616257e+01 7.833616257e+01 1.72 7.208317557e+01 7.208317557e+01 1.74 6.624176619e+01 6.624176619e+01 1.76 6.080633423e+01 6.080633423e+01 1.78 5.576360938e+01 5.576360938e+01 1.80 5.108901572e+01 5.108901572e+01 1.82 4.675971222e+01 4.675971222e+01 1.84 4.275382342e+01 4.275382342e+01 1.86 3.905009505e+01 3.905009505e+01 1.88 3.562787504e+01 3.562787504e+01 1.90 3.246725067e+01 3.246725067e+01 1.92 2.954920985e+01 2.954920985e+01 1.94 2.685573594e+01 2.685573594e+01 1.96 2.436982875e+01 2.436982875e+01 1.98 2.207548987e+01 2.207548987e+01 2.00 1.995772955e+01 1.995772955e+01 2.02 1.800260517e+01 1.800260517e+01 2.04 1.619725476e+01 1.619725476e+01 2.06 1.452988190e+01 1.452988190e+01 2.08 1.298968456e+01 1.298968456e+01 2.10 1.156675841e+01 1.156675841e+01 2.12 1.025200761e+01 1.025200761e+01 2.14 9.037083376e+00 9.037083376e+00 2.16 7.914344440e+00 7.914344440e+00 2.18 6.876824788e+00 6.876824788e+00 2.20 5.918196823e+00 5.918196823e+00 2.22 5.032722382e+00 5.032722382e+00 2.24 4.215195781e+00 4.215195781e+00 2.26 3.460883844e+00 3.460883844e+00 2.28 2.765466958e+00 2.765466958e+00 2.30 2.124986307e+00 2.124986307e+00 2.32 1.535795122e+00 1.535795122e+00 2.34 9.945168524e-01 9.945168524e-01 2.36 4.980104372e-01 4.980104372e-01 2.38 4.334185371e-02 4.334185371e-02 2.40 -3.722385256e-01 -3.722385256e-01 2.42 -7.513145650e-01 -7.513145650e-01 2.44 -1.096319239e+00 -1.096319239e+00 2.46 -1.409545456e+00 -1.409545456e+00 2.48 -1.693036658e+00 -1.693036658e+00 2.50 -1.948903833e+00 -1.948903833e+00 2.52 -2.179251100e+00 -2.179251100e+00 2.54 -2.386070199e+00 -2.386070199e+00 2.56 -2.571252457e+00 -2.571252457e+00 2.58 -2.736593245e+00 -2.736593245e+00 2.60 -2.883787255e+00 -2.883787255e+00 2.62 -3.014409923e+00 -3.014409923e+00 2.64 -3.129769340e+00 -3.129769340e+00 2.66 -3.230924813e+00 -3.230924813e+00 2.68 -3.318844718e+00 -3.318844718e+00 2.70 -3.394409798e+00 -3.394409798e+00 2.72 -3.458418244e+00 -3.458418244e+00 2.74 -3.511670731e+00 -3.511670731e+00 2.76 -3.554907137e+00 -3.554907137e+00 2.78 -3.588608215e+00 -3.588608215e+00 2.80 -3.613248483e+00 -3.613248483e+00 2.82 -3.629303379e+00 -3.629303379e+00 2.84 -3.637248820e+00 -3.637248820e+00 2.86 -3.637559409e+00 -3.637559409e+00 2.88 -3.630706824e+00 -3.630706824e+00 2.90 -3.617157602e+00 -3.617157602e+00 2.92 -3.597361669e+00 -3.597361669e+00 2.94 -3.571758600e+00 -3.571758600e+00 2.96 -3.540785443e+00 -3.540785443e+00 2.98 -3.504875866e+00 -3.504875866e+00 3.00 -3.464458499e+00 -3.464458499e+00 3.02 -3.419954168e+00 -3.419954168e+00 3.04 -3.371771423e+00 -3.371771423e+00 3.06 -3.320301642e+00 -3.320301642e+00 3.08 -3.265910599e+00 -3.265910599e+00 3.10 -3.208932471e+00 -3.208932471e+00 3.12 -3.149663609e+00 -3.149663609e+00 3.14 -3.088359988e+00 -3.088359988e+00 3.16 -3.025236450e+00 -3.025236450e+00 3.18 -2.960471191e+00 -2.960471191e+00 3.20 -2.894233198e+00 -2.894233198e+00 3.22 -2.826643061e+00 -2.826643061e+00 3.24 -2.757785860e+00 -2.757785860e+00 3.26 -2.687756987e+00 -2.687756987e+00 3.28 -2.616668081e+00 -2.616668081e+00 3.30 -2.544652652e+00 -2.544652652e+00 3.32 -2.471870671e+00 -2.471870671e+00 3.34 -2.398502019e+00 -2.398502019e+00 3.36 -2.324729176e+00 -2.324729176e+00 3.38 -2.250769697e+00 -2.250769697e+00 3.40 -2.176877744e+00 -2.176877744e+00 3.42 -2.103335523e+00 -2.103335523e+00 3.44 -2.030442752e+00 -2.030442752e+00 3.46 -1.958505234e+00 -1.958505234e+00 3.48 -1.887822501e+00 -1.887822501e+00 3.50 -1.818675715e+00 -1.818675715e+00 3.52 -1.751316759e+00 -1.751316759e+00 3.54 -1.685959451e+00 -1.685959451e+00 3.56 -1.622773537e+00 -1.622773537e+00 3.58 -1.561881755e+00 -1.561881755e+00 3.60 -1.503359925e+00 -1.503359925e+00 3.62 -1.447239639e+00 -1.447239639e+00 3.64 -1.393512971e+00 -1.393512971e+00 3.66 -1.342138492e+00 -1.342138492e+00 3.68 -1.293047899e+00 -1.293047899e+00 3.70 -1.246152693e+00 -1.246152693e+00 3.72 -1.201350432e+00 -1.201350432e+00 3.74 -1.158530285e+00 -1.158530285e+00 3.76 -1.117577713e+00 -1.117577713e+00 3.78 -1.078378228e+00 -1.078378228e+00 3.80 -1.040820249e+00 -1.040820249e+00 3.82 -1.004797130e+00 -1.004797130e+00 3.84 -9.702084573e-01 -9.702084573e-01 3.86 -9.369607083e-01 -9.369607083e-01 3.88 -9.049674198e-01 -9.049674198e-01 3.90 -8.741489691e-01 -8.741489691e-01 3.92 -8.444319842e-01 -8.444319842e-01 3.94 -8.157492755e-01 -8.157492755e-01 3.96 -7.880383987e-01 -7.880383987e-01 3.98 -7.612416919e-01 -7.612416919e-01 4.00 -7.353056764e-01 -7.353056764e-01 4.02 -7.101807402e-01 -7.101807402e-01 4.04 -6.858209443e-01 -6.858209443e-01 4.06 -6.621839415e-01 -6.621839415e-01 4.08 -6.392309911e-01 -6.392309911e-01 4.10 -6.169267653e-01 -6.169267653e-01 4.12 -5.952407394e-01 -5.952407394e-01 4.14 -5.741454712e-01 -5.741454712e-01 4.16 -5.536182077e-01 -5.536182077e-01 4.18 -5.336407414e-01 -5.336407414e-01 4.20 -5.141995616e-01 -5.141995616e-01 4.22 -4.952858756e-01 -4.952858756e-01 4.24 -4.768954328e-01 -4.768954328e-01 4.26 -4.590280977e-01 -4.590280977e-01 4.28 -4.416871353e-01 -4.416871353e-01 4.30 -4.248782135e-01 -4.248782135e-01 4.32 -4.086081669e-01 -4.086081669e-01 4.34 -3.928836142e-01 -3.928836142e-01 4.36 -3.777095551e-01 -3.777095551e-01 4.38 -3.630880891e-01 -3.630880891e-01 4.40 -3.490173853e-01 -3.490173853e-01 4.42 -3.354910032e-01 -3.354910032e-01 4.44 -3.224976080e-01 -3.224976080e-01 4.46 -3.100210726e-01 -3.100210726e-01 4.48 -2.980409098e-01 -2.980409098e-01 4.50 -2.865329453e-01 -2.865329453e-01 4.52 -2.754701323e-01 -2.754701323e-01 4.54 -2.648234124e-01 -2.648234124e-01 4.56 -2.545625480e-01 -2.545625480e-01 4.58 -2.446568749e-01 -2.446568749e-01 4.60 -2.350759494e-01 -2.350759494e-01 4.62 -2.257900855e-01 -2.257900855e-01 4.64 -2.167707925e-01 -2.167707925e-01 4.66 -2.079911355e-01 -2.079911355e-01 4.68 -1.994260417e-01 -1.994260417e-01 4.70 -1.910525784e-01 -1.910525784e-01 4.72 -1.828502218e-01 -1.828502218e-01 4.74 -1.748011317e-01 -1.748011317e-01 4.76 -1.668904393e-01 -1.668904393e-01 4.78 -1.591065433e-01 -1.591065433e-01 4.80 -1.514412116e-01 -1.514412116e-01 4.82 -1.438906575e-01 -1.438906575e-01 4.84 -1.364544877e-01 -1.364544877e-01 4.86 -1.291367110e-01 -1.291367110e-01 4.88 -1.219454927e-01 -1.219454927e-01 4.90 -1.148929714e-01 -1.148929714e-01 4.92 -1.079948732e-01 -1.079948732e-01 4.94 -1.012699093e-01 -1.012699093e-01 4.96 -9.473896315e-02 -9.473896315e-02 4.98 -8.842409778e-02 -8.842409778e-02 5.00 -8.234744083e-02 -8.234744083e-02 5.02 -7.653002427e-02 -7.653002427e-02 5.04 -7.099066818e-02 -7.099066818e-02 5.06 -6.574499815e-02 -6.574499815e-02 5.08 -6.080467400e-02 -6.080467400e-02 5.10 -5.617689312e-02 -5.617689312e-02 5.12 -5.186416392e-02 -5.186416392e-02 5.14 -4.786437529e-02 -4.786437529e-02 5.16 -4.417112878e-02 -4.417112878e-02 5.18 -4.077425346e-02 -4.077425346e-02 5.20 -3.766040067e-02 -3.766040067e-02 5.22 -3.481308935e-02 -3.481308935e-02 5.24 -3.221533219e-02 -3.221533219e-02 5.26 -2.984931278e-02 -2.984931278e-02 5.28 -2.769654093e-02 -2.769654093e-02 5.30 -2.573854612e-02 -2.573854612e-02 5.32 -2.395754206e-02 -2.395754206e-02 5.34 -2.233656601e-02 -2.233656601e-02 5.36 -2.085970786e-02 -2.085970786e-02 5.38 -1.951232004e-02 -1.951232004e-02 5.40 -1.828109867e-02 -1.828109867e-02 5.42 -1.715407384e-02 -1.715407384e-02 5.44 -1.612056958e-02 -1.612056958e-02 5.46 -1.517112586e-02 -1.517112586e-02 5.48 -1.429739475e-02 -1.429739475e-02 5.50 -1.349202168e-02 -1.349202168e-02 5.52 -1.274852106e-02 -1.274852106e-02 5.54 -1.206115425e-02 -1.206115425e-02 5.56 -1.142481584e-02 -1.142481584e-02 5.58 -1.083493265e-02 -1.083493265e-02 5.60 -1.028737792e-02 -1.028737792e-02 5.62 -9.778401492e-03 -9.778401492e-03 5.64 -9.304574944e-03 -9.304574944e-03 5.66 -8.862750210e-03 -8.862750210e-03 5.68 -8.450028908e-03 -8.450028908e-03 5.70 -8.063739863e-03 -8.063739863e-03 5.72 -7.701422253e-03 -7.701422253e-03 5.74 -7.360812263e-03 -7.360812263e-03 5.76 -7.039831623e-03 -7.039831623e-03 5.78 -6.736576923e-03 -6.736576923e-03 5.80 -6.449309074e-03 -6.449309074e-03 5.82 -6.176442634e-03 -6.176442634e-03 5.84 -5.916534991e-03 -5.916534991e-03 5.86 -5.668275574e-03 -5.668275574e-03 5.88 -5.430475324e-03 -5.430475324e-03 5.90 -5.202056695e-03 -5.202056695e-03 5.92 -4.982044470e-03 -4.982044470e-03 5.94 -4.769557591e-03 -4.769557591e-03 5.96 -4.563802197e-03 -4.563802197e-03 5.98 -4.364065992e-03 -4.364065992e-03 6.00 -4.169714009e-03 -4.169714009e-03