# 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 = AuMgTi2 # 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 3.558752987e+02 3.558752987e+02 1.30 3.300029162e+02 3.300029162e+02 1.32 3.060566928e+02 3.060566928e+02 1.34 2.838818767e+02 2.838818767e+02 1.36 2.633370774e+02 2.633370774e+02 1.38 2.442935342e+02 2.442935342e+02 1.40 2.266340033e+02 2.266340033e+02 1.42 2.102511879e+02 2.102511879e+02 1.44 1.950463324e+02 1.950463324e+02 1.46 1.809284505e+02 1.809284505e+02 1.48 1.678140808e+02 1.678140808e+02 1.50 1.556271601e+02 1.556271601e+02 1.52 1.442985897e+02 1.442985897e+02 1.54 1.337654223e+02 1.337654223e+02 1.56 1.239699097e+02 1.239699097e+02 1.58 1.148586584e+02 1.148586584e+02 1.60 1.063820303e+02 1.063820303e+02 1.62 9.849384853e+01 9.849384853e+01 1.64 9.115128056e+01 9.115128056e+01 1.66 8.431469764e+01 8.431469764e+01 1.68 7.794747753e+01 7.794747753e+01 1.70 7.201585657e+01 7.201585657e+01 1.72 6.648884754e+01 6.648884754e+01 1.74 6.133809517e+01 6.133809517e+01 1.76 5.653759473e+01 5.653759473e+01 1.78 5.206488384e+01 5.206488384e+01 1.80 4.790739543e+01 4.790739543e+01 1.82 4.404498464e+01 4.404498464e+01 1.84 4.045687082e+01 4.045687082e+01 1.86 3.712385321e+01 3.712385321e+01 1.88 3.402806676e+01 3.402806676e+01 1.90 3.115287168e+01 3.115287168e+01 1.92 2.848274369e+01 2.848274369e+01 1.94 2.600318843e+01 2.600318843e+01 1.96 2.370068919e+01 2.370068919e+01 1.98 2.156268640e+01 2.156268640e+01 2.00 1.957755909e+01 1.957755909e+01 2.02 1.773457801e+01 1.773457801e+01 2.04 1.602382948e+01 1.602382948e+01 2.06 1.443613436e+01 1.443613436e+01 2.08 1.296298922e+01 1.296298922e+01 2.10 1.159653185e+01 1.159653185e+01 2.12 1.032951258e+01 1.032951258e+01 2.14 9.155248143e+00 9.155248143e+00 2.16 8.067556638e+00 8.067556638e+00 2.18 7.060682934e+00 7.060682934e+00 2.20 6.129229747e+00 6.129229747e+00 2.22 5.268101237e+00 5.268101237e+00 2.24 4.472468692e+00 4.472468692e+00 2.26 3.737760375e+00 3.737760375e+00 2.28 3.059671538e+00 3.059671538e+00 2.30 2.434182338e+00 2.434182338e+00 2.32 1.857568571e+00 1.857568571e+00 2.34 1.326400966e+00 1.326400966e+00 2.36 8.375290278e-01 8.375290278e-01 2.38 3.880569886e-01 3.880569886e-01 2.40 -2.468621915e-02 -2.468621915e-02 2.42 -4.031798004e-01 -4.031798004e-01 2.44 -7.497414426e-01 -7.497414426e-01 2.46 -1.066553717e+00 -1.066553717e+00 2.48 -1.355682642e+00 -1.355682642e+00 2.50 -1.619088243e+00 -1.619088243e+00 2.52 -1.858627580e+00 -1.858627580e+00 2.54 -2.076052423e+00 -2.076052423e+00 2.56 -2.273005028e+00 -2.273005028e+00 2.58 -2.451015284e+00 -2.451015284e+00 2.60 -2.611500850e+00 -2.611500850e+00 2.62 -2.755798967e+00 -2.755798967e+00 2.64 -2.885202741e+00 -2.885202741e+00 2.66 -3.000707154e+00 -3.000707154e+00 2.68 -3.103221229e+00 -3.103221229e+00 2.70 -3.193596969e+00 -3.193596969e+00 2.72 -3.272632953e+00 -3.272632953e+00 2.74 -3.341079102e+00 -3.341079102e+00 2.76 -3.399641515e+00 -3.399641515e+00 2.78 -3.448966056e+00 -3.448966056e+00 2.80 -3.489497157e+00 -3.489497157e+00 2.82 -3.521618180e+00 -3.521618180e+00 2.84 -3.545783954e+00 -3.545783954e+00 2.86 -3.562352178e+00 -3.562352178e+00 2.88 -3.571690148e+00 -3.571690148e+00 2.90 -3.574189513e+00 -3.574189513e+00 2.92 -3.570261217e+00 -3.570261217e+00 2.94 -3.560331114e+00 -3.560331114e+00 2.96 -3.544836638e+00 -3.544836638e+00 2.98 -3.524224788e+00 -3.524224788e+00 3.00 -3.498947925e+00 -3.498947925e+00 3.02 -3.469458464e+00 -3.469458464e+00 3.04 -3.436209564e+00 -3.436209564e+00 3.06 -3.399647256e+00 -3.399647256e+00 3.08 -3.360196622e+00 -3.360196622e+00 3.10 -3.318249965e+00 -3.318249965e+00 3.12 -3.274156927e+00 -3.274156927e+00 3.14 -3.228221396e+00 -3.228221396e+00 3.16 -3.180701514e+00 -3.180701514e+00 3.18 -3.131816428e+00 -3.131816428e+00 3.20 -3.081753637e+00 -3.081753637e+00 3.22 -3.030676734e+00 -3.030676734e+00 3.24 -2.978732005e+00 -2.978732005e+00 3.26 -2.926053344e+00 -2.926053344e+00 3.28 -2.872765449e+00 -2.872765449e+00 3.30 -2.818985510e+00 -2.818985510e+00 3.32 -2.764823789e+00 -2.764823789e+00 3.34 -2.710383581e+00 -2.710383581e+00 3.36 -2.655761056e+00 -2.655761056e+00 3.38 -2.601045469e+00 -2.601045469e+00 3.40 -2.546320026e+00 -2.546320026e+00 3.42 -2.491663872e+00 -2.491663872e+00 3.44 -2.437155685e+00 -2.437155685e+00 3.46 -2.382889239e+00 -2.382889239e+00 3.48 -2.328938154e+00 -2.328938154e+00 3.50 -2.275377598e+00 -2.275377598e+00 3.52 -2.222292225e+00 -2.222292225e+00 3.54 -2.169774502e+00 -2.169774502e+00 3.56 -2.117920971e+00 -2.117920971e+00 3.58 -2.066826796e+00 -2.066826796e+00 3.60 -2.016579495e+00 -2.016579495e+00 3.62 -1.967252749e+00 -1.967252749e+00 3.64 -1.918891395e+00 -1.918891395e+00 3.66 -1.871506903e+00 -1.871506903e+00 3.68 -1.825095531e+00 -1.825095531e+00 3.70 -1.779641420e+00 -1.779641420e+00 3.72 -1.735119661e+00 -1.735119661e+00 3.74 -1.691499804e+00 -1.691499804e+00 3.76 -1.648749142e+00 -1.648749142e+00 3.78 -1.606835392e+00 -1.606835392e+00 3.80 -1.565728628e+00 -1.565728628e+00 3.82 -1.525402470e+00 -1.525402470e+00 3.84 -1.485834638e+00 -1.485834638e+00 3.86 -1.447007002e+00 -1.447007002e+00 3.88 -1.408905271e+00 -1.408905271e+00 3.90 -1.371518424e+00 -1.371518424e+00 3.92 -1.334837893e+00 -1.334837893e+00 3.94 -1.298857398e+00 -1.298857398e+00 3.96 -1.263571363e+00 -1.263571363e+00 3.98 -1.228974965e+00 -1.228974965e+00 4.00 -1.195063498e+00 -1.195063498e+00 4.02 -1.161832047e+00 -1.161832047e+00 4.04 -1.129275295e+00 -1.129275295e+00 4.06 -1.097387433e+00 -1.097387433e+00 4.08 -1.066162181e+00 -1.066162181e+00 4.10 -1.035592460e+00 -1.035592460e+00 4.12 -1.005672314e+00 -1.005672314e+00 4.14 -9.763943488e-01 -9.763943488e-01 4.16 -9.477519463e-01 -9.477519463e-01 4.18 -9.197390132e-01 -9.197390132e-01 4.20 -8.923502424e-01 -8.923502424e-01 4.22 -8.655813327e-01 -8.655813327e-01 4.24 -8.394291301e-01 -8.394291301e-01 4.26 -8.138916563e-01 -8.138916563e-01 4.28 -7.889679957e-01 -7.889679957e-01 4.30 -7.646580295e-01 -7.646580295e-01 4.32 -7.409620212e-01 -7.409620212e-01 4.34 -7.178800878e-01 -7.178800878e-01 4.36 -6.954116044e-01 -6.954116044e-01 4.38 -6.735546113e-01 -6.735546113e-01 4.40 -6.523052874e-01 -6.523052874e-01 4.42 -6.316575503e-01 -6.316575503e-01 4.44 -6.116028179e-01 -6.116028179e-01 4.46 -5.921299449e-01 -5.921299449e-01 4.48 -5.732253196e-01 -5.732253196e-01 4.50 -5.548730932e-01 -5.548730932e-01 4.52 -5.370554969e-01 -5.370554969e-01 4.54 -5.197532078e-01 -5.197532078e-01 4.56 -5.029457256e-01 -5.029457256e-01 4.58 -4.866117346e-01 -4.866117346e-01 4.60 -4.707294348e-01 -4.707294348e-01 4.62 -4.552768371e-01 -4.552768371e-01 4.64 -4.402320262e-01 -4.402320262e-01 4.66 -4.255733993e-01 -4.255733993e-01 4.68 -4.112798918e-01 -4.112798918e-01 4.70 -3.973312036e-01 -3.973312036e-01 4.72 -3.837080356e-01 -3.837080356e-01 4.74 -3.703923487e-01 -3.703923487e-01 4.76 -3.573676482e-01 -3.573676482e-01 4.78 -3.446192975e-01 -3.446192975e-01 4.80 -3.321345949e-01 -3.321345949e-01 4.82 -3.199042058e-01 -3.199042058e-01 4.84 -3.079208076e-01 -3.079208076e-01 4.86 -2.961805873e-01 -2.961805873e-01 4.88 -2.846831694e-01 -2.846831694e-01 4.90 -2.734317486e-01 -2.734317486e-01 4.92 -2.624330714e-01 -2.624330714e-01 4.94 -2.516972269e-01 -2.516972269e-01 4.96 -2.412372197e-01 -2.412372197e-01 4.98 -2.310683146e-01 -2.310683146e-01 5.00 -2.212071670e-01 -2.212071670e-01 5.02 -2.116707864e-01 -2.116707864e-01 5.04 -2.024754026e-01 -2.024754026e-01 5.06 -1.936353311e-01 -1.936353311e-01 5.08 -1.851619395e-01 -1.851619395e-01 5.10 -1.770628112e-01 -1.770628112e-01 5.12 -1.693411809e-01 -1.693411809e-01 5.14 -1.619956806e-01 -1.619956806e-01 5.16 -1.550203980e-01 -1.550203980e-01 5.18 -1.484052127e-01 -1.484052127e-01 5.20 -1.421363465e-01 -1.421363465e-01 5.22 -1.361970540e-01 -1.361970540e-01 5.24 -1.305683753e-01 -1.305683753e-01 5.26 -1.252298819e-01 -1.252298819e-01 5.28 -1.201603643e-01 -1.201603643e-01 5.30 -1.153384272e-01 -1.153384272e-01 5.32 -1.107429743e-01 -1.107429743e-01 5.34 -1.063535798e-01 -1.063535798e-01 5.36 -1.021507531e-01 -1.021507531e-01 5.38 -9.811611209e-02 -9.811611209e-02 5.40 -9.423248045e-02 -9.423248045e-02 5.42 -9.048392808e-02 -9.048392808e-02 5.44 -8.685576860e-02 -8.685576860e-02 5.46 -8.333446287e-02 -8.333446287e-02 5.48 -7.990774440e-02 -7.990774440e-02 5.50 -7.656454734e-02 -7.656454734e-02 5.52 -7.329494777e-02 -7.329494777e-02 5.54 -7.009017463e-02 -7.009017463e-02 5.56 -6.694264570e-02 -6.694264570e-02 5.58 -6.384602963e-02 -6.384602963e-02 5.60 -6.079533110e-02 -6.079533110e-02 5.62 -5.778699162e-02 -5.778699162e-02 5.64 -5.481899455e-02 -5.481899455e-02 5.66 -5.189095868e-02 -5.189095868e-02 5.68 -4.900420253e-02 -4.900420253e-02 5.70 -4.616175988e-02 -4.616175988e-02 5.72 -4.336832866e-02 -4.336832866e-02 5.74 -4.063013845e-02 -4.063013845e-02 5.76 -3.795472886e-02 -3.795472886e-02 5.78 -3.535064239e-02 -3.535064239e-02 5.80 -3.282702917e-02 -3.282702917e-02 5.82 -3.039320369e-02 -3.039320369e-02 5.84 -2.805817660e-02 -2.805817660e-02 5.86 -2.583019233e-02 -2.583019233e-02 5.88 -2.371631169e-02 -2.371631169e-02 5.90 -2.172207180e-02 -2.172207180e-02 5.92 -1.985100147e-02 -1.985100147e-02 5.94 -1.810437568e-02 -1.810437568e-02 5.96 -1.648261930e-02 -1.648261930e-02 5.98 -1.498429275e-02 -1.498429275e-02 6.00 -1.360620574e-02 -1.360620574e-02