# 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 = Al2CuPt # 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 1.433834603e+02 1.433834603e+02 1.30 1.332026172e+02 1.332026172e+02 1.32 1.237056763e+02 1.237056763e+02 1.34 1.148503729e+02 1.148503729e+02 1.36 1.065966109e+02 1.065966109e+02 1.38 9.890027025e+01 9.890027025e+01 1.40 9.171252970e+01 9.171252970e+01 1.42 8.498453615e+01 8.498453615e+01 1.44 7.867352410e+01 7.867352410e+01 1.46 7.274672800e+01 7.274672800e+01 1.48 6.718110996e+01 6.718110996e+01 1.50 6.195921492e+01 6.195921492e+01 1.52 5.706394327e+01 5.706394327e+01 1.54 5.247538941e+01 5.247538941e+01 1.56 4.817069455e+01 4.817069455e+01 1.58 4.412573448e+01 4.412573448e+01 1.60 4.031716624e+01 4.031716624e+01 1.62 3.673348607e+01 3.673348607e+01 1.64 3.340840584e+01 3.340840584e+01 1.66 3.033154975e+01 3.033154975e+01 1.68 2.749022040e+01 2.749022040e+01 1.70 2.487153859e+01 2.487153859e+01 1.72 2.246322229e+01 2.246322229e+01 1.74 2.025262355e+01 2.025262355e+01 1.76 1.822590212e+01 1.822590212e+01 1.78 1.636802184e+01 1.636802184e+01 1.80 1.466351701e+01 1.466351701e+01 1.82 1.309752565e+01 1.309752565e+01 1.84 1.165652849e+01 1.165652849e+01 1.86 1.032858832e+01 1.032858832e+01 1.88 9.103243805e+00 9.103243805e+00 1.90 7.971315045e+00 7.971315045e+00 1.92 6.924769893e+00 6.924769893e+00 1.94 5.956648890e+00 5.956648890e+00 1.96 5.060977212e+00 5.060977212e+00 1.98 4.232617164e+00 4.232617164e+00 2.00 3.467074483e+00 3.467074483e+00 2.02 2.760309013e+00 2.760309013e+00 2.04 2.108593217e+00 2.108593217e+00 2.06 1.508424324e+00 1.508424324e+00 2.08 9.564675099e-01 9.564675099e-01 2.10 4.495113887e-01 4.495113887e-01 2.12 -1.556305317e-02 -1.556305317e-02 2.14 -4.417888181e-01 -4.417888181e-01 2.16 -8.320899437e-01 -8.320899437e-01 2.18 -1.189238220e+00 -1.189238220e+00 2.20 -1.515806993e+00 -1.515806993e+00 2.22 -1.814138060e+00 -1.814138060e+00 2.24 -2.086329019e+00 -2.086329019e+00 2.26 -2.334239461e+00 -2.334239461e+00 2.28 -2.559509725e+00 -2.559509725e+00 2.30 -2.763585622e+00 -2.763585622e+00 2.32 -2.947744789e+00 -2.947744789e+00 2.34 -3.113122088e+00 -3.113122088e+00 2.36 -3.260734417e+00 -3.260734417e+00 2.38 -3.391958605e+00 -3.391958605e+00 2.40 -3.508418043e+00 -3.508418043e+00 2.42 -3.610680595e+00 -3.610680595e+00 2.44 -3.699322644e+00 -3.699322644e+00 2.46 -3.774974177e+00 -3.774974177e+00 2.48 -3.838329870e+00 -3.838329870e+00 2.50 -3.890159037e+00 -3.890159037e+00 2.52 -3.931314392e+00 -3.931314392e+00 2.54 -3.962736684e+00 -3.962736684e+00 2.56 -3.985450215e+00 -3.985450215e+00 2.58 -4.000544261e+00 -4.000544261e+00 2.60 -4.009137347e+00 -4.009137347e+00 2.62 -4.012325098e+00 -4.012325098e+00 2.64 -4.011118170e+00 -4.011118170e+00 2.66 -4.006382401e+00 -4.006382401e+00 2.68 -3.998795821e+00 -3.998795821e+00 2.70 -3.988956203e+00 -3.988956203e+00 2.72 -3.977255375e+00 -3.977255375e+00 2.74 -3.964580164e+00 -3.964580164e+00 2.76 -3.950783921e+00 -3.950783921e+00 2.78 -3.935329494e+00 -3.935329494e+00 2.80 -3.917733483e+00 -3.917733483e+00 2.82 -3.897570667e+00 -3.897570667e+00 2.84 -3.874480094e+00 -3.874480094e+00 2.86 -3.848173130e+00 -3.848173130e+00 2.88 -3.818443660e+00 -3.818443660e+00 2.90 -3.785186487e+00 -3.785186487e+00 2.92 -3.748405584e+00 -3.748405584e+00 2.94 -3.708225688e+00 -3.708225688e+00 2.96 -3.664881172e+00 -3.664881172e+00 2.98 -3.618697462e+00 -3.618697462e+00 3.00 -3.570072889e+00 -3.570072889e+00 3.02 -3.519453289e+00 -3.519453289e+00 3.04 -3.467302993e+00 -3.467302993e+00 3.06 -3.414076165e+00 -3.414076165e+00 3.08 -3.360191471e+00 -3.360191471e+00 3.10 -3.306012323e+00 -3.306012323e+00 3.12 -3.251833650e+00 -3.251833650e+00 3.14 -3.197875838e+00 -3.197875838e+00 3.16 -3.144285469e+00 -3.144285469e+00 3.18 -3.091142216e+00 -3.091142216e+00 3.20 -3.038469963e+00 -3.038469963e+00 3.22 -2.986250132e+00 -2.986250132e+00 3.24 -2.934435221e+00 -2.934435221e+00 3.26 -2.882965388e+00 -2.882965388e+00 3.28 -2.831798540e+00 -2.831798540e+00 3.30 -2.780897094e+00 -2.780897094e+00 3.32 -2.730224101e+00 -2.730224101e+00 3.34 -2.679748508e+00 -2.679748508e+00 3.36 -2.629448559e+00 -2.629448559e+00 3.38 -2.579313728e+00 -2.579313728e+00 3.40 -2.529345447e+00 -2.529345447e+00 3.42 -2.479556899e+00 -2.479556899e+00 3.44 -2.429972001e+00 -2.429972001e+00 3.46 -2.380623825e+00 -2.380623825e+00 3.48 -2.331552588e+00 -2.331552588e+00 3.50 -2.282803404e+00 -2.282803404e+00 3.52 -2.234423977e+00 -2.234423977e+00 3.54 -2.186462377e+00 -2.186462377e+00 3.56 -2.138965049e+00 -2.138965049e+00 3.58 -2.091975130e+00 -2.091975130e+00 3.60 -2.045531143e+00 -2.045531143e+00 3.62 -1.999666083e+00 -1.999666083e+00 3.64 -1.954406915e+00 -1.954406915e+00 3.66 -1.909774420e+00 -1.909774420e+00 3.68 -1.865783382e+00 -1.865783382e+00 3.70 -1.822443022e+00 -1.822443022e+00 3.72 -1.779757608e+00 -1.779757608e+00 3.74 -1.737727146e+00 -1.737727146e+00 3.76 -1.696348023e+00 -1.696348023e+00 3.78 -1.655613501e+00 -1.655613501e+00 3.80 -1.615513981e+00 -1.615513981e+00 3.82 -1.576036964e+00 -1.576036964e+00 3.84 -1.537166757e+00 -1.537166757e+00 3.86 -1.498883981e+00 -1.498883981e+00 3.88 -1.461165055e+00 -1.461165055e+00 3.90 -1.423981805e+00 -1.423981805e+00 3.92 -1.387301369e+00 -1.387301369e+00 3.94 -1.351086546e+00 -1.351086546e+00 3.96 -1.315296518e+00 -1.315296518e+00 3.98 -1.279888071e+00 -1.279888071e+00 4.00 -1.244817121e+00 -1.244817121e+00 4.02 -1.210040497e+00 -1.210040497e+00 4.04 -1.175517882e+00 -1.175517882e+00 4.06 -1.141213820e+00 -1.141213820e+00 4.08 -1.107099723e+00 -1.107099723e+00 4.10 -1.073155776e+00 -1.073155776e+00 4.12 -1.039372751e+00 -1.039372751e+00 4.14 -1.005753346e+00 -1.005753346e+00 4.16 -9.723132908e-01 -9.723132908e-01 4.18 -9.390818006e-01 -9.390818006e-01 4.20 -9.061013978e-01 -9.061013978e-01 4.22 -8.734270251e-01 -8.734270251e-01 4.24 -8.411244510e-01 -8.411244510e-01 4.26 -8.092680262e-01 -8.092680262e-01 4.28 -7.779379006e-01 -7.779379006e-01 4.30 -7.472168411e-01 -7.472168411e-01 4.32 -7.171868162e-01 -7.171868162e-01 4.34 -6.879255288e-01 -6.879255288e-01 4.36 -6.595030890e-01 -6.595030890e-01 4.38 -6.319790221e-01 -6.319790221e-01 4.40 -6.053997860e-01 -6.053997860e-01 4.42 -5.797969421e-01 -5.797969421e-01 4.44 -5.551860632e-01 -5.551860632e-01 4.46 -5.315664044e-01 -5.315664044e-01 4.48 -5.089213029e-01 -5.089213029e-01 4.50 -4.872192296e-01 -4.872192296e-01 4.52 -4.664153898e-01 -4.664153898e-01 4.54 -4.464537567e-01 -4.464537567e-01 4.56 -4.272694227e-01 -4.272694227e-01 4.58 -4.087911570e-01 -4.087911570e-01 4.60 -3.909440676e-01 -3.909440676e-01 4.62 -3.736522757e-01 -3.736522757e-01 4.64 -3.568415245e-01 -3.568415245e-01 4.66 -3.404416550e-01 -3.404416550e-01 4.68 -3.243888909e-01 -3.243888909e-01 4.70 -3.086278805e-01 -3.086278805e-01 4.72 -2.931134441e-01 -2.931134441e-01 4.74 -2.778119686e-01 -2.778119686e-01 4.76 -2.627023907e-01 -2.627023907e-01 4.78 -2.477767050e-01 -2.477767050e-01 4.80 -2.330399326e-01 -2.330399326e-01 4.82 -2.185095850e-01 -2.185095850e-01 4.84 -2.042144380e-01 -2.042144380e-01 4.86 -1.901929001e-01 -1.901929001e-01 4.88 -1.764908651e-01 -1.764908651e-01 4.90 -1.631592473e-01 -1.631592473e-01 4.92 -1.502513357e-01 -1.502513357e-01 4.94 -1.378201273e-01 -1.378201273e-01 4.96 -1.259157995e-01 -1.259157995e-01 4.98 -1.145834562e-01 -1.145834562e-01 5.00 -1.038612573e-01 -1.038612573e-01 5.02 -9.377900858e-02 -9.377900858e-02 5.04 -8.435725413e-02 -8.435725413e-02 5.06 -7.560685137e-02 -7.560685137e-02 5.08 -6.752903251e-02 -6.752903251e-02 5.10 -6.011587950e-02 -6.011587950e-02 5.12 -5.335118714e-02 -5.335118714e-02 5.14 -4.721157090e-02 -4.721157090e-02 5.16 -4.166771923e-02 -4.166771923e-02 5.18 -3.668531830e-02 -3.668531830e-02 5.20 -3.222753364e-02 -3.222753364e-02 5.22 -2.825572506e-02 -2.825572506e-02 5.24 -2.473031129e-02 -2.473031129e-02 5.26 -2.161181989e-02 -2.161181989e-02 5.28 -1.886172949e-02 -1.886172949e-02 5.30 -1.644313110e-02 -1.644313110e-02 5.32 -1.432118415e-02 -1.432118415e-02 5.34 -1.246341987e-02 -1.246341987e-02 5.36 -1.083991843e-02 -1.083991843e-02 5.38 -9.423797003e-03 -9.423797003e-03 5.40 -8.190234707e-03 -8.190234707e-03 5.42 -7.116668278e-03 -7.116668278e-03 5.44 -6.183066842e-03 -6.183066842e-03 5.46 -5.371704780e-03 -5.371704780e-03 5.48 -4.666943905e-03 -4.666943905e-03 5.50 -4.055026329e-03 -4.055026329e-03 5.52 -3.523879335e-03 -3.523879335e-03 5.54 -3.062933324e-03 -3.062933324e-03 5.56 -2.662953570e-03 -2.662953570e-03 5.58 -2.315886081e-03 -2.315886081e-03 5.60 -2.014717533e-03 -2.014717533e-03 5.62 -1.753348915e-03 -1.753348915e-03 5.64 -1.526482277e-03 -1.526482277e-03 5.66 -1.329519796e-03 -1.329519796e-03 5.68 -1.158474287e-03 -1.158474287e-03 5.70 -1.009890182e-03 -1.009890182e-03 5.72 -8.807740389e-04 -8.807740389e-04 5.74 -7.685336203e-04 -7.685336203e-04 5.76 -6.709246287e-04 -6.709246287e-04 5.78 -5.860042576e-04 -5.860042576e-04 5.80 -5.120907620e-04 -5.120907620e-04 5.82 -4.477283290e-04 -4.477283290e-04 5.84 -3.916565977e-04 -3.916565977e-04 5.86 -3.427842437e-04 -3.427842437e-04 5.88 -3.001661076e-04 -3.001661076e-04 5.90 -2.629834089e-04 -2.629834089e-04 5.92 -2.305266367e-04 -2.305266367e-04 5.94 -2.021807647e-04 -2.021807647e-04 5.96 -1.774124762e-04 -1.774124762e-04 5.98 -1.557591306e-04 -1.557591306e-04 6.00 -1.368192336e-04 -1.368192336e-04