# 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 = AgCoTa2 # 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 3.063069100e+02 3.063069100e+02 1.30 2.835269213e+02 2.835269213e+02 1.32 2.624588713e+02 2.624588713e+02 1.34 2.429609611e+02 2.429609611e+02 1.36 2.249054847e+02 2.249054847e+02 1.38 2.081775901e+02 2.081775901e+02 1.40 1.926737845e+02 1.926737845e+02 1.42 1.783004861e+02 1.783004861e+02 1.44 1.649724217e+02 1.649724217e+02 1.46 1.526109477e+02 1.526109477e+02 1.48 1.411426191e+02 1.411426191e+02 1.50 1.304982169e+02 1.304982169e+02 1.52 1.206123761e+02 1.206123761e+02 1.54 1.114239227e+02 1.114239227e+02 1.56 1.028767236e+02 1.028767236e+02 1.58 9.492045870e+01 9.492045870e+01 1.60 8.751075217e+01 8.751075217e+01 1.62 8.060856019e+01 8.060856019e+01 1.64 7.417913972e+01 7.417913972e+01 1.66 6.819100927e+01 6.819100927e+01 1.68 6.261514795e+01 6.261514795e+01 1.70 5.742447224e+01 5.742447224e+01 1.72 5.259351174e+01 5.259351174e+01 1.74 4.809820290e+01 4.809820290e+01 1.76 4.391577649e+01 4.391577649e+01 1.78 4.002474460e+01 4.002474460e+01 1.80 3.640496206e+01 3.640496206e+01 1.82 3.304024291e+01 3.304024291e+01 1.84 2.992051954e+01 2.992051954e+01 1.86 2.702964285e+01 2.702964285e+01 1.88 2.435219639e+01 2.435219639e+01 1.90 2.187443822e+01 2.187443822e+01 1.92 1.958455880e+01 1.958455880e+01 1.94 1.746967894e+01 1.746967894e+01 1.96 1.551726377e+01 1.551726377e+01 1.98 1.371516291e+01 1.371516291e+01 2.00 1.205165490e+01 1.205165490e+01 2.02 1.051559495e+01 1.051559495e+01 2.04 9.096618717e+00 9.096618717e+00 2.06 7.785326489e+00 7.785326489e+00 2.08 6.573378682e+00 6.573378682e+00 2.10 5.453474539e+00 5.453474539e+00 2.12 4.419233870e+00 4.419233870e+00 2.14 3.465029956e+00 3.465029956e+00 2.16 2.585821777e+00 2.585821777e+00 2.18 1.777014456e+00 1.777014456e+00 2.20 1.034353843e+00 1.034353843e+00 2.22 3.538462840e-01 3.538462840e-01 2.24 -2.683085014e-01 -2.683085014e-01 2.26 -8.357782767e-01 -8.357782767e-01 2.28 -1.352152174e+00 -1.352152174e+00 2.30 -1.820981116e+00 -1.820981116e+00 2.32 -2.245796039e+00 -2.245796039e+00 2.34 -2.630097040e+00 -2.630097040e+00 2.36 -2.977312564e+00 -2.977312564e+00 2.38 -3.290735998e+00 -3.290735998e+00 2.40 -3.573454414e+00 -3.573454414e+00 2.42 -3.828286982e+00 -3.828286982e+00 2.44 -4.057747264e+00 -4.057747264e+00 2.46 -4.264035735e+00 -4.264035735e+00 2.48 -4.448965909e+00 -4.448965909e+00 2.50 -4.614056129e+00 -4.614056129e+00 2.52 -4.761027671e+00 -4.761027671e+00 2.54 -4.891405235e+00 -4.891405235e+00 2.56 -5.006549820e+00 -5.006549820e+00 2.58 -5.107705748e+00 -5.107705748e+00 2.60 -5.196028465e+00 -5.196028465e+00 2.62 -5.272583558e+00 -5.272583558e+00 2.64 -5.338073719e+00 -5.338073719e+00 2.66 -5.392881315e+00 -5.392881315e+00 2.68 -5.437417308e+00 -5.437417308e+00 2.70 -5.472108708e+00 -5.472108708e+00 2.72 -5.497377882e+00 -5.497377882e+00 2.74 -5.513632288e+00 -5.513632288e+00 2.76 -5.521260789e+00 -5.521260789e+00 2.78 -5.520633440e+00 -5.520633440e+00 2.80 -5.512102848e+00 -5.512102848e+00 2.82 -5.496028924e+00 -5.496028924e+00 2.84 -5.472746912e+00 -5.472746912e+00 2.86 -5.442538694e+00 -5.442538694e+00 2.88 -5.405685556e+00 -5.405685556e+00 2.90 -5.362470390e+00 -5.362470390e+00 2.92 -5.313179110e+00 -5.313179110e+00 2.94 -5.258101493e+00 -5.258101493e+00 2.96 -5.197531214e+00 -5.197531214e+00 2.98 -5.131764916e+00 -5.131764916e+00 3.00 -5.061094524e+00 -5.061094524e+00 3.02 -4.985772886e+00 -4.985772886e+00 3.04 -4.906038670e+00 -4.906038670e+00 3.06 -4.822130665e+00 -4.822130665e+00 3.08 -4.734283319e+00 -4.734283319e+00 3.10 -4.642724597e+00 -4.642724597e+00 3.12 -4.547677449e+00 -4.547677449e+00 3.14 -4.449365666e+00 -4.449365666e+00 3.16 -4.348023876e+00 -4.348023876e+00 3.18 -4.243966662e+00 -4.243966662e+00 3.20 -4.137511345e+00 -4.137511345e+00 3.22 -4.028926841e+00 -4.028926841e+00 3.24 -3.918555776e+00 -3.918555776e+00 3.26 -3.806815093e+00 -3.806815093e+00 3.28 -3.694188826e+00 -3.694188826e+00 3.30 -3.581213168e+00 -3.581213168e+00 3.32 -3.468454445e+00 -3.468454445e+00 3.34 -3.356481842e+00 -3.356481842e+00 3.36 -3.245839754e+00 -3.245839754e+00 3.38 -3.137022242e+00 -3.137022242e+00 3.40 -3.030442698e+00 -3.030442698e+00 3.42 -2.926415017e+00 -2.926415017e+00 3.44 -2.825144032e+00 -2.825144032e+00 3.46 -2.726724406e+00 -2.726724406e+00 3.48 -2.631147099e+00 -2.631147099e+00 3.50 -2.538311802e+00 -2.538311802e+00 3.52 -2.448043356e+00 -2.448043356e+00 3.54 -2.360110265e+00 -2.360110265e+00 3.56 -2.274243734e+00 -2.274243734e+00 3.58 -2.190156130e+00 -2.190156130e+00 3.60 -2.107558219e+00 -2.107558219e+00 3.62 -2.026174863e+00 -2.026174863e+00 3.64 -1.945759119e+00 -1.945759119e+00 3.66 -1.866104696e+00 -1.866104696e+00 3.68 -1.787056682e+00 -1.787056682e+00 3.70 -1.708520334e+00 -1.708520334e+00 3.72 -1.630467510e+00 -1.630467510e+00 3.74 -1.552940237e+00 -1.552940237e+00 3.76 -1.476050838e+00 -1.476050838e+00 3.78 -1.399978169e+00 -1.399978169e+00 3.80 -1.324959726e+00 -1.324959726e+00 3.82 -1.251279794e+00 -1.251279794e+00 3.84 -1.179254205e+00 -1.179254205e+00 3.86 -1.109212779e+00 -1.109212779e+00 3.88 -1.041480817e+00 -1.041480817e+00 3.90 -9.763611955e-01 -9.763611955e-01 3.92 -9.141185933e-01 -9.141185933e-01 3.94 -8.549670618e-01 -8.549670618e-01 3.96 -7.990617615e-01 -7.990617615e-01 3.98 -7.464951568e-01 -7.464951568e-01 4.00 -6.972974616e-01 -6.972974616e-01 4.02 -6.514407318e-01 -6.514407318e-01 4.04 -6.088457376e-01 -6.088457376e-01 4.06 -5.693906454e-01 -5.693906454e-01 4.08 -5.329205728e-01 -5.329205728e-01 4.10 -4.992572116e-01 -4.992572116e-01 4.12 -4.682079095e-01 -4.682079095e-01 4.14 -4.395737617e-01 -4.395737617e-01 4.16 -4.131565019e-01 -4.131565019e-01 4.18 -3.887640584e-01 -3.887640584e-01 4.20 -3.662147797e-01 -3.662147797e-01 4.22 -3.453403787e-01 -3.453403787e-01 4.24 -3.259876844e-01 -3.259876844e-01 4.26 -3.080193136e-01 -3.080193136e-01 4.28 -2.913133987e-01 -2.913133987e-01 4.30 -2.757625378e-01 -2.757625378e-01 4.32 -2.612721676e-01 -2.612721676e-01 4.34 -2.477585885e-01 -2.477585885e-01 4.36 -2.351468773e-01 -2.351468773e-01 4.38 -2.233689080e-01 -2.233689080e-01 4.40 -2.123616530e-01 -2.123616530e-01 4.42 -2.020658662e-01 -2.020658662e-01 4.44 -1.924251781e-01 -1.924251781e-01 4.46 -1.833855753e-01 -1.833855753e-01 4.48 -1.748951836e-01 -1.748951836e-01 4.50 -1.669041213e-01 -1.669041213e-01 4.52 -1.593647418e-01 -1.593647418e-01 4.54 -1.522321935e-01 -1.522321935e-01 4.56 -1.454638899e-01 -1.454638899e-01 4.58 -1.390200403e-01 -1.390200403e-01 4.60 -1.328635684e-01 -1.328635684e-01 4.62 -1.269600325e-01 -1.269600325e-01 4.64 -1.212776428e-01 -1.212776428e-01 4.66 -1.157872496e-01 -1.157872496e-01 4.68 -1.104623305e-01 -1.104623305e-01 4.70 -1.052789987e-01 -1.052789987e-01 4.72 -1.002160517e-01 -1.002160517e-01 4.74 -9.525506980e-02 -9.525506980e-02 4.76 -9.038057118e-02 -9.038057118e-02 4.78 -8.558021476e-02 -8.558021476e-02 4.80 -8.084503694e-02 -8.084503694e-02 4.82 -7.616969857e-02 -7.616969857e-02 4.84 -7.155269329e-02 -7.155269329e-02 4.86 -6.699648668e-02 -6.699648668e-02 4.88 -6.250752295e-02 -6.250752295e-02 4.90 -5.809605602e-02 -5.809605602e-02 4.92 -5.377576695e-02 -5.377576695e-02 4.94 -4.956315282e-02 -4.956315282e-02 4.96 -4.547669139e-02 -4.547669139e-02 4.98 -4.153583553e-02 -4.153583553e-02 5.00 -3.775990914e-02 -3.775990914e-02 5.02 -3.416699213e-02 -3.416699213e-02 5.04 -3.077289988e-02 -3.077289988e-02 5.06 -2.759034793e-02 -2.759034793e-02 5.08 -2.462835091e-02 -2.462835091e-02 5.10 -2.189191148e-02 -2.189191148e-02 5.12 -1.938199094e-02 -1.938199094e-02 5.14 -1.709568039e-02 -1.709568039e-02 5.16 -1.502635480e-02 -1.502635480e-02 5.18 -1.316507381e-02 -1.316507381e-02 5.20 -1.150068850e-02 -1.150068850e-02 5.22 -1.002035176e-02 -1.002035176e-02 5.24 -8.710147108e-03 -8.710147108e-03 5.26 -7.555646730e-03 -7.555646730e-03 5.28 -6.542380805e-03 -6.542380805e-03 5.30 -5.656211761e-03 -5.656211761e-03 5.32 -4.883615890e-03 -4.883615890e-03 5.34 -4.211880600e-03 -4.211880600e-03 5.36 -3.629228890e-03 -3.629228890e-03 5.38 -3.124883946e-03 -3.124883946e-03 5.40 -2.689086657e-03 -2.689086657e-03 5.42 -2.313077804e-03 -2.313077804e-03 5.44 -1.989055134e-03 -1.989055134e-03 5.46 -1.710113834e-03 -1.710113834e-03 5.48 -1.470177167e-03 -1.470177167e-03 5.50 -1.263922506e-03 -1.263922506e-03 5.52 -1.086706589e-03 -1.086706589e-03 5.54 -9.344927449e-04 -9.344927449e-04 5.56 -8.037818868e-04 -8.037818868e-04 5.58 -6.915483853e-04 -6.915483853e-04 5.60 -5.951814108e-04 -5.951814108e-04 5.62 -5.124319429e-04 -5.124319429e-04 5.64 -4.413653809e-04 -4.413653809e-04 5.66 -3.803195117e-04 -3.803195117e-04 5.68 -3.278674825e-04 -3.278674825e-04 5.70 -2.827853663e-04 -2.827853663e-04 5.72 -2.440238816e-04 -2.440238816e-04 5.74 -2.106838320e-04 -2.106838320e-04 5.76 -1.819948446e-04 -1.819948446e-04 5.78 -1.572970142e-04 -1.572970142e-04 5.80 -1.360250909e-04 -1.360250909e-04 5.82 -1.176948855e-04 -1.176948855e-04 5.84 -1.018915974e-04 -1.018915974e-04 5.86 -8.825980664e-05 -8.825980664e-05 5.88 -7.649490106e-05 -7.649490106e-05 5.90 -6.633573809e-05 -6.633573809e-05 5.92 -5.755836745e-05 -5.755836745e-05 5.94 -4.997066350e-05 -4.997066350e-05 5.96 -4.340773679e-05 -4.340773679e-05 5.98 -3.772801255e-05 -3.772801255e-05 6.00 -3.280987925e-05 -3.280987925e-05