# 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 = MoPb2Ti # 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 4.137161957e+02 4.137161957e+02 1.30 3.864150822e+02 3.864150822e+02 1.32 3.610078890e+02 3.610078890e+02 1.34 3.373479358e+02 3.373479358e+02 1.36 3.153032642e+02 3.153032642e+02 1.38 2.947543697e+02 2.947543697e+02 1.40 2.755924034e+02 2.755924034e+02 1.42 2.577172852e+02 2.577172852e+02 1.44 2.410357940e+02 2.410357940e+02 1.46 2.254602630e+02 2.254602630e+02 1.48 2.109083260e+02 2.109083260e+02 1.50 1.973034602e+02 1.973034602e+02 1.52 1.845755689e+02 1.845755689e+02 1.54 1.726611082e+02 1.726611082e+02 1.56 1.615025426e+02 1.615025426e+02 1.58 1.510474025e+02 1.510474025e+02 1.60 1.412472987e+02 1.412472987e+02 1.62 1.320572665e+02 1.320572665e+02 1.64 1.234354140e+02 1.234354140e+02 1.66 1.153428233e+02 1.153428233e+02 1.68 1.077435702e+02 1.077435702e+02 1.70 1.006047829e+02 1.006047829e+02 1.72 9.389666744e+01 9.389666744e+01 1.74 8.759240809e+01 8.759240809e+01 1.76 8.166795328e+01 8.166795328e+01 1.78 7.610170043e+01 7.610170043e+01 1.80 7.087559897e+01 7.087559897e+01 1.82 6.597351900e+01 6.597351900e+01 1.84 6.138911492e+01 6.138911492e+01 1.86 5.710716125e+01 5.710716125e+01 1.88 5.310900329e+01 5.310900329e+01 1.90 4.937632323e+01 4.937632323e+01 1.92 4.589133774e+01 4.589133774e+01 1.94 4.263703669e+01 4.263703669e+01 1.96 3.959732946e+01 3.959732946e+01 1.98 3.675710804e+01 3.675710804e+01 2.00 3.410223911e+01 3.410223911e+01 2.02 3.161953298e+01 3.161953298e+01 2.04 2.929670837e+01 2.929670837e+01 2.06 2.712236489e+01 2.712236489e+01 2.08 2.508596998e+01 2.508596998e+01 2.10 2.317784233e+01 2.317784233e+01 2.12 2.138913878e+01 2.138913878e+01 2.14 1.971181153e+01 1.971181153e+01 2.16 1.813854845e+01 1.813854845e+01 2.18 1.666269999e+01 1.666269999e+01 2.20 1.527819344e+01 1.527819344e+01 2.22 1.397945393e+01 1.397945393e+01 2.24 1.276133254e+01 1.276133254e+01 2.26 1.161905136e+01 1.161905136e+01 2.28 1.054816788e+01 1.054816788e+01 2.30 9.544542019e+00 9.544542019e+00 2.32 8.604301070e+00 8.604301070e+00 2.34 7.723809233e+00 7.723809233e+00 2.36 6.899620556e+00 6.899620556e+00 2.38 6.128448756e+00 6.128448756e+00 2.40 5.407149520e+00 5.407149520e+00 2.42 4.732718697e+00 4.732718697e+00 2.44 4.102299951e+00 4.102299951e+00 2.46 3.513199594e+00 3.513199594e+00 2.48 2.962899450e+00 2.962899450e+00 2.50 2.449064188e+00 2.449064188e+00 2.52 1.969540667e+00 1.969540667e+00 2.54 1.522349848e+00 1.522349848e+00 2.56 1.105673224e+00 1.105673224e+00 2.58 7.178676814e-01 7.178676814e-01 2.60 3.574727567e-01 3.574727567e-01 2.62 2.295479269e-02 2.295479269e-02 2.64 -2.871394015e-01 -2.871394015e-01 2.66 -5.741749034e-01 -5.741749034e-01 2.68 -8.394504305e-01 -8.394504305e-01 2.70 -1.084230794e+00 -1.084230794e+00 2.72 -1.309743997e+00 -1.309743997e+00 2.74 -1.517086206e+00 -1.517086206e+00 2.76 -1.707304397e+00 -1.707304397e+00 2.78 -1.881299348e+00 -1.881299348e+00 2.80 -2.039892502e+00 -2.039892502e+00 2.82 -2.183895442e+00 -2.183895442e+00 2.84 -2.314105879e+00 -2.314105879e+00 2.86 -2.431254614e+00 -2.431254614e+00 2.88 -2.535929596e+00 -2.535929596e+00 2.90 -2.628703692e+00 -2.628703692e+00 2.92 -2.710158834e+00 -2.710158834e+00 2.94 -2.780885982e+00 -2.780885982e+00 2.96 -2.841484696e+00 -2.841484696e+00 2.98 -2.892561924e+00 -2.892561924e+00 3.00 -2.934729672e+00 -2.934729672e+00 3.02 -2.968601098e+00 -2.968601098e+00 3.04 -2.994784344e+00 -2.994784344e+00 3.06 -3.013876895e+00 -3.013876895e+00 3.08 -3.026454606e+00 -3.026454606e+00 3.10 -3.033066074e+00 -3.033066074e+00 3.12 -3.034224920e+00 -3.034224920e+00 3.14 -3.030412189e+00 -3.030412189e+00 3.16 -3.022065636e+00 -3.022065636e+00 3.18 -3.009585967e+00 -3.009585967e+00 3.20 -2.993334868e+00 -2.993334868e+00 3.22 -2.973634522e+00 -2.973634522e+00 3.24 -2.950767160e+00 -2.950767160e+00 3.26 -2.924975516e+00 -2.924975516e+00 3.28 -2.896465110e+00 -2.896465110e+00 3.30 -2.865408912e+00 -2.865408912e+00 3.32 -2.831954329e+00 -2.831954329e+00 3.34 -2.796243772e+00 -2.796243772e+00 3.36 -2.758492946e+00 -2.758492946e+00 3.38 -2.718730587e+00 -2.718730587e+00 3.40 -2.676970479e+00 -2.676970479e+00 3.42 -2.633271595e+00 -2.633271595e+00 3.44 -2.587739363e+00 -2.587739363e+00 3.46 -2.540526187e+00 -2.540526187e+00 3.48 -2.491811252e+00 -2.491811252e+00 3.50 -2.441770041e+00 -2.441770041e+00 3.52 -2.390614248e+00 -2.390614248e+00 3.54 -2.338587589e+00 -2.338587589e+00 3.56 -2.285951356e+00 -2.285951356e+00 3.58 -2.232970005e+00 -2.232970005e+00 3.60 -2.179898189e+00 -2.179898189e+00 3.62 -2.126970440e+00 -2.126970440e+00 3.64 -2.074394245e+00 -2.074394245e+00 3.66 -2.022346695e+00 -2.022346695e+00 3.68 -1.970974258e+00 -1.970974258e+00 3.70 -1.920394851e+00 -1.920394851e+00 3.72 -1.870701174e+00 -1.870701174e+00 3.74 -1.821964399e+00 -1.821964399e+00 3.76 -1.774237570e+00 -1.774237570e+00 3.78 -1.727558403e+00 -1.727558403e+00 3.80 -1.681951461e+00 -1.681951461e+00 3.82 -1.637429870e+00 -1.637429870e+00 3.84 -1.593996795e+00 -1.593996795e+00 3.86 -1.551646864e+00 -1.551646864e+00 3.88 -1.510367623e+00 -1.510367623e+00 3.90 -1.470141038e+00 -1.470141038e+00 3.92 -1.430944217e+00 -1.430944217e+00 3.94 -1.392753943e+00 -1.392753943e+00 3.96 -1.355542881e+00 -1.355542881e+00 3.98 -1.319284024e+00 -1.319284024e+00 4.00 -1.283950465e+00 -1.283950465e+00 4.02 -1.249515872e+00 -1.249515872e+00 4.04 -1.215954752e+00 -1.215954752e+00 4.06 -1.183242571e+00 -1.183242571e+00 4.08 -1.151355759e+00 -1.151355759e+00 4.10 -1.120269133e+00 -1.120269133e+00 4.12 -1.089966286e+00 -1.089966286e+00 4.14 -1.060422970e+00 -1.060422970e+00 4.16 -1.031618573e+00 -1.031618573e+00 4.18 -1.003532971e+00 -1.003532971e+00 4.20 -9.761464599e-01 -9.761464599e-01 4.22 -9.494397392e-01 -9.494397392e-01 4.24 -9.233939107e-01 -9.233939107e-01 4.26 -8.979905148e-01 -8.979905148e-01 4.28 -8.732115869e-01 -8.732115869e-01 4.30 -8.490397310e-01 -8.490397310e-01 4.32 -8.254581997e-01 -8.254581997e-01 4.34 -8.024509717e-01 -8.024509717e-01 4.36 -7.800028179e-01 -7.800028179e-01 4.38 -7.580993462e-01 -7.580993462e-01 4.40 -7.367270198e-01 -7.367270198e-01 4.42 -7.158731456e-01 -7.158731456e-01 4.44 -6.955258295e-01 -6.955258295e-01 4.46 -6.756739043e-01 -6.756739043e-01 4.48 -6.563068322e-01 -6.563068322e-01 4.50 -6.374145894e-01 -6.374145894e-01 4.52 -6.189875413e-01 -6.189875413e-01 4.54 -6.010163147e-01 -6.010163147e-01 4.56 -5.834916751e-01 -5.834916751e-01 4.58 -5.664044146e-01 -5.664044146e-01 4.60 -5.497452555e-01 -5.497452555e-01 4.62 -5.335047718e-01 -5.335047718e-01 4.64 -5.176733317e-01 -5.176733317e-01 4.66 -5.022410622e-01 -5.022410622e-01 4.68 -4.871978347e-01 -4.871978347e-01 4.70 -4.725332743e-01 -4.725332743e-01 4.72 -4.582367909e-01 -4.582367909e-01 4.74 -4.442976336e-01 -4.442976336e-01 4.76 -4.307049688e-01 -4.307049688e-01 4.78 -4.174479812e-01 -4.174479812e-01 4.80 -4.045144847e-01 -4.045144847e-01 4.82 -3.918973649e-01 -3.918973649e-01 4.84 -3.795848995e-01 -3.795848995e-01 4.86 -3.675677943e-01 -3.675677943e-01 4.88 -3.558375592e-01 -3.558375592e-01 4.90 -3.443866742e-01 -3.443866742e-01 4.92 -3.332087261e-01 -3.332087261e-01 4.94 -3.222984988e-01 -3.222984988e-01 4.96 -3.116519987e-01 -3.116519987e-01 4.98 -3.012664028e-01 -3.012664028e-01 5.00 -2.911399230e-01 -2.911399230e-01 5.02 -2.812715911e-01 -2.812715911e-01 5.04 -2.716609832e-01 -2.716609832e-01 5.06 -2.623079117e-01 -2.623079117e-01 5.08 -2.532121195e-01 -2.532121195e-01 5.10 -2.443730137e-01 -2.443730137e-01 5.12 -2.357894682e-01 -2.357894682e-01 5.14 -2.274597129e-01 -2.274597129e-01 5.16 -2.193813103e-01 -2.193813103e-01 5.18 -2.115512072e-01 -2.115512072e-01 5.20 -2.039658353e-01 -2.039658353e-01 5.22 -1.966212318e-01 -1.966212318e-01 5.24 -1.895131471e-01 -1.895131471e-01 5.26 -1.826371198e-01 -1.826371198e-01 5.28 -1.759885017e-01 -1.759885017e-01 5.30 -1.695624331e-01 -1.695624331e-01 5.32 -1.633537744e-01 -1.633537744e-01 5.34 -1.573570096e-01 -1.573570096e-01 5.36 -1.515661412e-01 -1.515661412e-01 5.38 -1.459745958e-01 -1.459745958e-01 5.40 -1.405751582e-01 -1.405751582e-01 5.42 -1.353599461e-01 -1.353599461e-01 5.44 -1.303204298e-01 -1.303204298e-01 5.46 -1.254475009e-01 -1.254475009e-01 5.48 -1.207315849e-01 -1.207315849e-01 5.50 -1.161627906e-01 -1.161627906e-01 5.52 -1.117310853e-01 -1.117310853e-01 5.54 -1.074264884e-01 -1.074264884e-01 5.56 -1.032392730e-01 -1.032392730e-01 5.58 -9.916016913e-02 -9.916016913e-02 5.60 -9.518055789e-02 -9.518055789e-02 5.62 -9.129265116e-02 -9.129265116e-02 5.64 -8.748965185e-02 -8.748965185e-02 5.66 -8.376588578e-02 -8.376588578e-02 5.68 -8.011689862e-02 -8.011689862e-02 5.70 -7.653951078e-02 -7.653951078e-02 5.72 -7.303182383e-02 -7.303182383e-02 5.74 -6.959317412e-02 -6.959317412e-02 5.76 -6.622403224e-02 -6.622403224e-02 5.78 -6.292570836e-02 -6.292570836e-02 5.80 -5.969992549e-02 -5.969992549e-02 5.82 -5.654968154e-02 -5.654968154e-02 5.84 -5.347834352e-02 -5.347834352e-02 5.86 -5.048932715e-02 -5.048932715e-02 5.88 -4.758589139e-02 -4.758589139e-02 5.90 -4.477097599e-02 -4.477097599e-02 5.92 -4.204709240e-02 -4.204709240e-02 5.94 -3.941627172e-02 -3.941627172e-02 5.96 -3.688006559e-02 -3.688006559e-02 5.98 -3.443958770e-02 -3.443958770e-02 6.00 -3.209558633e-02 -3.209558633e-02