# 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 = MoWZr2 # 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 4.056805291e+02 4.056805291e+02 1.30 3.764905442e+02 3.764905442e+02 1.32 3.494622869e+02 3.494622869e+02 1.34 3.244123282e+02 3.244123282e+02 1.36 3.011730208e+02 3.011730208e+02 1.38 2.795927533e+02 2.795927533e+02 1.40 2.595358607e+02 2.595358607e+02 1.42 2.408810571e+02 2.408810571e+02 1.44 2.235192199e+02 2.235192199e+02 1.46 2.073519435e+02 2.073519435e+02 1.48 1.922909311e+02 1.922909311e+02 1.50 1.782572380e+02 1.782572380e+02 1.52 1.651800904e+02 1.651800904e+02 1.54 1.529956843e+02 1.529956843e+02 1.56 1.416463471e+02 1.416463471e+02 1.58 1.310799312e+02 1.310799312e+02 1.60 1.212488228e+02 1.212488228e+02 1.62 1.121084097e+02 1.121084097e+02 1.64 1.036155125e+02 1.036155125e+02 1.66 9.572739685e+01 9.572739685e+01 1.68 8.840161487e+01 8.840161487e+01 1.70 8.159661973e+01 8.159661973e+01 1.72 7.527259825e+01 7.527259825e+01 1.74 6.939222734e+01 6.939222734e+01 1.76 6.392111258e+01 6.392111258e+01 1.78 5.882794301e+01 5.882794301e+01 1.80 5.408434713e+01 5.408434713e+01 1.82 4.966462804e+01 4.966462804e+01 1.84 4.554535466e+01 4.554535466e+01 1.86 4.170516764e+01 4.170516764e+01 1.88 3.812468933e+01 3.812468933e+01 1.90 3.478647855e+01 3.478647855e+01 1.92 3.167483468e+01 3.167483468e+01 1.94 2.877548213e+01 2.877548213e+01 1.96 2.607516028e+01 2.607516028e+01 1.98 2.356134131e+01 2.356134131e+01 2.00 2.122206629e+01 2.122206629e+01 2.02 1.904608438e+01 1.904608438e+01 2.04 1.702362816e+01 1.702362816e+01 2.06 1.514575337e+01 1.514575337e+01 2.08 1.340257120e+01 1.340257120e+01 2.10 1.178382540e+01 1.178382540e+01 2.12 1.027969498e+01 1.027969498e+01 2.14 8.880952565e+00 8.880952565e+00 2.16 7.579153374e+00 7.579153374e+00 2.18 6.366748893e+00 6.366748893e+00 2.20 5.237109428e+00 5.237109428e+00 2.22 4.184427895e+00 4.184427895e+00 2.24 3.203588341e+00 3.203588341e+00 2.26 2.290039839e+00 2.290039839e+00 2.28 1.439683344e+00 1.439683344e+00 2.30 6.488223329e-01 6.488223329e-01 2.32 -8.594412306e-02 -8.594412306e-02 2.34 -7.677409827e-01 -7.677409827e-01 2.36 -1.399509075e+00 -1.399509075e+00 2.38 -1.984049155e+00 -1.984049155e+00 2.40 -2.524061005e+00 -2.524061005e+00 2.42 -3.022175679e+00 -3.022175679e+00 2.44 -3.480960831e+00 -3.480960831e+00 2.46 -3.902925126e+00 -3.902925126e+00 2.48 -4.290499576e+00 -4.290499576e+00 2.50 -4.646008209e+00 -4.646008209e+00 2.52 -4.971632725e+00 -4.971632725e+00 2.54 -5.269378928e+00 -5.269378928e+00 2.56 -5.541052855e+00 -5.541052855e+00 2.58 -5.788253703e+00 -5.788253703e+00 2.60 -6.012387285e+00 -6.012387285e+00 2.62 -6.214693276e+00 -6.214693276e+00 2.64 -6.396305414e+00 -6.396305414e+00 2.66 -6.558263464e+00 -6.558263464e+00 2.68 -6.701569967e+00 -6.701569967e+00 2.70 -6.827208534e+00 -6.827208534e+00 2.72 -6.936157044e+00 -6.936157044e+00 2.74 -7.029390892e+00 -7.029390892e+00 2.76 -7.107878492e+00 -7.107878492e+00 2.78 -7.172534806e+00 -7.172534806e+00 2.80 -7.224251653e+00 -7.224251653e+00 2.82 -7.263979756e+00 -7.263979756e+00 2.84 -7.292629126e+00 -7.292629126e+00 2.86 -7.311062184e+00 -7.311062184e+00 2.88 -7.320196648e+00 -7.320196648e+00 2.90 -7.320778467e+00 -7.320778467e+00 2.92 -7.313421073e+00 -7.313421073e+00 2.94 -7.298588283e+00 -7.298588283e+00 2.96 -7.276754504e+00 -7.276754504e+00 2.98 -7.248304586e+00 -7.248304586e+00 3.00 -7.213616799e+00 -7.213616799e+00 3.02 -7.173060428e+00 -7.173060428e+00 3.04 -7.126948098e+00 -7.126948098e+00 3.06 -7.075338160e+00 -7.075338160e+00 3.08 -7.018167750e+00 -7.018167750e+00 3.10 -6.955231232e+00 -6.955231232e+00 3.12 -6.886265673e+00 -6.886265673e+00 3.14 -6.811106029e+00 -6.811106029e+00 3.16 -6.729647249e+00 -6.729647249e+00 3.18 -6.641858986e+00 -6.641858986e+00 3.20 -6.547774306e+00 -6.547774306e+00 3.22 -6.447487086e+00 -6.447487086e+00 3.24 -6.341152180e+00 -6.341152180e+00 3.26 -6.228987902e+00 -6.228987902e+00 3.28 -6.111279393e+00 -6.111279393e+00 3.30 -5.988380799e+00 -5.988380799e+00 3.32 -5.860714437e+00 -5.860714437e+00 3.34 -5.728766335e+00 -5.728766335e+00 3.36 -5.593079117e+00 -5.593079117e+00 3.38 -5.454244216e+00 -5.454244216e+00 3.40 -5.312893439e+00 -5.312893439e+00 3.42 -5.169699919e+00 -5.169699919e+00 3.44 -5.025361634e+00 -5.025361634e+00 3.46 -4.880600429e+00 -4.880600429e+00 3.48 -4.736147328e+00 -4.736147328e+00 3.50 -4.592725077e+00 -4.592725077e+00 3.52 -4.451027006e+00 -4.451027006e+00 3.54 -4.311694550e+00 -4.311694550e+00 3.56 -4.175296254e+00 -4.175296254e+00 3.58 -4.042310856e+00 -4.042310856e+00 3.60 -3.913116283e+00 -3.913116283e+00 3.62 -3.787985390e+00 -3.787985390e+00 3.64 -3.667088268e+00 -3.667088268e+00 3.66 -3.550500226e+00 -3.550500226e+00 3.68 -3.438214053e+00 -3.438214053e+00 3.70 -3.330155053e+00 -3.330155053e+00 3.72 -3.226197407e+00 -3.226197407e+00 3.74 -3.126180611e+00 -3.126180611e+00 3.76 -3.029924991e+00 -3.029924991e+00 3.78 -2.937245467e+00 -2.937245467e+00 3.80 -2.847962921e+00 -2.847962921e+00 3.82 -2.761912585e+00 -2.761912585e+00 3.84 -2.678949038e+00 -2.678949038e+00 3.86 -2.598947626e+00 -2.598947626e+00 3.88 -2.521802497e+00 -2.521802497e+00 3.90 -2.447421916e+00 -2.447421916e+00 3.92 -2.375718263e+00 -2.375718263e+00 3.94 -2.306617121e+00 -2.306617121e+00 3.96 -2.240027157e+00 -2.240027157e+00 3.98 -2.175854119e+00 -2.175854119e+00 4.00 -2.113995118e+00 -2.113995118e+00 4.02 -2.054339692e+00 -2.054339692e+00 4.04 -1.996772388e+00 -1.996772388e+00 4.06 -1.941176087e+00 -1.941176087e+00 4.08 -1.887435356e+00 -1.887435356e+00 4.10 -1.835429394e+00 -1.835429394e+00 4.12 -1.785075945e+00 -1.785075945e+00 4.14 -1.736266839e+00 -1.736266839e+00 4.16 -1.688915014e+00 -1.688915014e+00 4.18 -1.642942258e+00 -1.642942258e+00 4.20 -1.598278857e+00 -1.598278857e+00 4.22 -1.554862954e+00 -1.554862954e+00 4.24 -1.512639749e+00 -1.512639749e+00 4.26 -1.471560634e+00 -1.471560634e+00 4.28 -1.431582335e+00 -1.431582335e+00 4.30 -1.392666100e+00 -1.392666100e+00 4.32 -1.354776959e+00 -1.354776959e+00 4.34 -1.317883079e+00 -1.317883079e+00 4.36 -1.281955205e+00 -1.281955205e+00 4.38 -1.246966198e+00 -1.246966198e+00 4.40 -1.212890646e+00 -1.212890646e+00 4.42 -1.179704552e+00 -1.179704552e+00 4.44 -1.147385090e+00 -1.147385090e+00 4.46 -1.115910401e+00 -1.115910401e+00 4.48 -1.085259441e+00 -1.085259441e+00 4.50 -1.055411864e+00 -1.055411864e+00 4.52 -1.026347920e+00 -1.026347920e+00 4.54 -9.980483934e-01 -9.980483934e-01 4.56 -9.704945370e-01 -9.704945370e-01 4.58 -9.436680348e-01 -9.436680348e-01 4.60 -9.175509646e-01 -9.175509646e-01 4.62 -8.921257706e-01 -8.921257706e-01 4.64 -8.673752403e-01 -8.673752403e-01 4.66 -8.432824847e-01 -8.432824847e-01 4.68 -8.198309216e-01 -8.198309216e-01 4.70 -7.970042589e-01 -7.970042589e-01 4.72 -7.747864806e-01 -7.747864806e-01 4.74 -7.531618321e-01 -7.531618321e-01 4.76 -7.321148055e-01 -7.321148055e-01 4.78 -7.116301252e-01 -7.116301252e-01 4.80 -6.916865249e-01 -6.916865249e-01 4.82 -6.722826187e-01 -6.722826187e-01 4.84 -6.533962909e-01 -6.533962909e-01 4.86 -6.350130721e-01 -6.350130721e-01 4.88 -6.171186390e-01 -6.171186390e-01 4.90 -5.996987976e-01 -5.996987976e-01 4.92 -5.827394664e-01 -5.827394664e-01 4.94 -5.662266595e-01 -5.662266595e-01 4.96 -5.501464702e-01 -5.501464702e-01 4.98 -5.344850565e-01 -5.344850565e-01 5.00 -5.192286275e-01 -5.192286275e-01 5.02 -5.043634344e-01 -5.043634344e-01 5.04 -4.898757657e-01 -4.898757657e-01 5.06 -4.757519491e-01 -4.757519491e-01 5.08 -4.619783617e-01 -4.619783617e-01 5.10 -4.485414527e-01 -4.485414527e-01 5.12 -4.354277789e-01 -4.354277789e-01 5.14 -4.226240592e-01 -4.226240592e-01 5.16 -4.101172487e-01 -4.101172487e-01 5.18 -3.978946383e-01 -3.978946383e-01 5.20 -3.859439801e-01 -3.859439801e-01 5.22 -3.742536433e-01 -3.742536433e-01 5.24 -3.628127979e-01 -3.628127979e-01 5.26 -3.516116263e-01 -3.516116263e-01 5.28 -3.406415544e-01 -3.406415544e-01 5.30 -3.298954947e-01 -3.298954947e-01 5.32 -3.193680841e-01 -3.193680841e-01 5.34 -3.090558962e-01 -3.090558962e-01 5.36 -2.989576043e-01 -2.989576043e-01 5.38 -2.890740667e-01 -2.890740667e-01 5.40 -2.794083069e-01 -2.794083069e-01 5.42 -2.699653669e-01 -2.699653669e-01 5.44 -2.607520191e-01 -2.607520191e-01 5.46 -2.517763380e-01 -2.517763380e-01 5.48 -2.430471465e-01 -2.430471465e-01 5.50 -2.345733736e-01 -2.345733736e-01 5.52 -2.263633709e-01 -2.263633709e-01 5.54 -2.184242462e-01 -2.184242462e-01 5.56 -2.107612714e-01 -2.107612714e-01 5.58 -2.033774174e-01 -2.033774174e-01 5.60 -1.962728179e-01 -1.962728179e-01 5.62 -1.894449896e-01 -1.894449896e-01 5.64 -1.828890963e-01 -1.828890963e-01 5.66 -1.765977274e-01 -1.765977274e-01 5.68 -1.705612191e-01 -1.705612191e-01 5.70 -1.647680488e-01 -1.647680488e-01 5.72 -1.592052613e-01 -1.592052613e-01 5.74 -1.538588892e-01 -1.538588892e-01 5.76 -1.487143418e-01 -1.487143418e-01 5.78 -1.437567434e-01 -1.437567434e-01 5.80 -1.389712135e-01 -1.389712135e-01 5.82 -1.343430876e-01 -1.343430876e-01 5.84 -1.298580815e-01 -1.298580815e-01 5.86 -1.255024085e-01 -1.255024085e-01 5.88 -1.212628582e-01 -1.212628582e-01 5.90 -1.171268472e-01 -1.171268472e-01 5.92 -1.130824531e-01 -1.130824531e-01 5.94 -1.091184391e-01 -1.091184391e-01 5.96 -1.052242792e-01 -1.052242792e-01 5.98 -1.013901895e-01 -1.013901895e-01 6.00 -9.760717269e-02 -9.760717269e-02