# 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 = MgTa2Zr # 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 4.665201253e+02 4.665201253e+02 1.30 4.334838784e+02 4.334838784e+02 1.32 4.028544844e+02 4.028544844e+02 1.34 3.744401409e+02 3.744401409e+02 1.36 3.480669829e+02 3.480669829e+02 1.38 3.235775214e+02 3.235775214e+02 1.40 3.008288683e+02 3.008288683e+02 1.42 2.796906845e+02 2.796906845e+02 1.44 2.600431184e+02 2.600431184e+02 1.46 2.417749512e+02 2.417749512e+02 1.48 2.247821705e+02 2.247821705e+02 1.50 2.089671353e+02 2.089671353e+02 1.52 1.942384650e+02 1.942384650e+02 1.54 1.805114522e+02 1.805114522e+02 1.56 1.677088149e+02 1.677088149e+02 1.58 1.557612029e+02 1.557612029e+02 1.60 1.446070141e+02 1.446070141e+02 1.62 1.341914441e+02 1.341914441e+02 1.64 1.244652356e+02 1.244652356e+02 1.66 1.153835118e+02 1.153835118e+02 1.68 1.069049294e+02 1.069049294e+02 1.70 9.899116980e+01 9.899116980e+01 1.72 9.160651466e+01 9.160651466e+01 1.74 8.471746503e+01 8.471746503e+01 1.76 7.829239799e+01 7.829239799e+01 1.78 7.230133019e+01 7.230133019e+01 1.80 6.671577372e+01 6.671577372e+01 1.82 6.150867320e+01 6.150867320e+01 1.84 5.665439996e+01 5.665439996e+01 1.86 5.212884880e+01 5.212884880e+01 1.88 4.790951252e+01 4.790951252e+01 1.90 4.397546214e+01 4.397546214e+01 1.92 4.030721228e+01 4.030721228e+01 1.94 3.688718923e+01 3.688718923e+01 1.96 3.370492704e+01 3.370492704e+01 1.98 3.074555966e+01 3.074555966e+01 2.00 2.799286055e+01 2.799286055e+01 2.02 2.543145357e+01 2.543145357e+01 2.04 2.304715693e+01 2.304715693e+01 2.06 2.082713774e+01 2.082713774e+01 2.08 1.875981633e+01 1.875981633e+01 2.10 1.683480227e+01 1.683480227e+01 2.12 1.504274985e+01 1.504274985e+01 2.14 1.337519576e+01 1.337519576e+01 2.16 1.182440791e+01 1.182440791e+01 2.18 1.038325027e+01 1.038325027e+01 2.20 9.045078159e+00 9.045078159e+00 2.22 7.803639703e+00 7.803639703e+00 2.24 6.653003847e+00 6.653003847e+00 2.26 5.587512255e+00 5.587512255e+00 2.28 4.601735269e+00 4.601735269e+00 2.30 3.690473093e+00 3.690473093e+00 2.32 2.848718560e+00 2.848718560e+00 2.34 2.071665054e+00 2.071665054e+00 2.36 1.354701503e+00 1.354701503e+00 2.38 6.934322955e-01 6.934322955e-01 2.40 8.370406411e-02 8.370406411e-02 2.42 -4.783715297e-01 -4.783715297e-01 2.44 -9.963951385e-01 -9.963951385e-01 2.46 -1.473675459e+00 -1.473675459e+00 2.48 -1.913229831e+00 -1.913229831e+00 2.50 -2.317793860e+00 -2.317793860e+00 2.52 -2.689838560e+00 -2.689838560e+00 2.54 -3.031593786e+00 -3.031593786e+00 2.56 -3.345075345e+00 -3.345075345e+00 2.58 -3.632113078e+00 -3.632113078e+00 2.60 -3.894378264e+00 -3.894378264e+00 2.62 -4.133407299e+00 -4.133407299e+00 2.64 -4.350632148e+00 -4.350632148e+00 2.66 -4.547385067e+00 -4.547385067e+00 2.68 -4.724920448e+00 -4.724920448e+00 2.70 -4.884294189e+00 -4.884294189e+00 2.72 -5.026609671e+00 -5.026609671e+00 2.74 -5.153053731e+00 -5.153053731e+00 2.76 -5.264722442e+00 -5.264722442e+00 2.78 -5.362623869e+00 -5.362623869e+00 2.80 -5.447735871e+00 -5.447735871e+00 2.82 -5.520886490e+00 -5.520886490e+00 2.84 -5.582802891e+00 -5.582802891e+00 2.86 -5.634163014e+00 -5.634163014e+00 2.88 -5.675516081e+00 -5.675516081e+00 2.90 -5.707135911e+00 -5.707135911e+00 2.92 -5.729281248e+00 -5.729281248e+00 2.94 -5.742246387e+00 -5.742246387e+00 2.96 -5.746352938e+00 -5.746352938e+00 2.98 -5.741889412e+00 -5.741889412e+00 3.00 -5.729087780e+00 -5.729087780e+00 3.02 -5.708200527e+00 -5.708200527e+00 3.04 -5.679495339e+00 -5.679495339e+00 3.06 -5.643254838e+00 -5.643254838e+00 3.08 -5.599756678e+00 -5.599756678e+00 3.10 -5.549280999e+00 -5.549280999e+00 3.12 -5.492105798e+00 -5.492105798e+00 3.14 -5.428522706e+00 -5.428522706e+00 3.16 -5.358825536e+00 -5.358825536e+00 3.18 -5.283332902e+00 -5.283332902e+00 3.20 -5.202395803e+00 -5.202395803e+00 3.22 -5.116409432e+00 -5.116409432e+00 3.24 -5.025824035e+00 -5.025824035e+00 3.26 -4.931152464e+00 -4.931152464e+00 3.28 -4.832971549e+00 -4.832971549e+00 3.30 -4.731914697e+00 -4.731914697e+00 3.32 -4.628654451e+00 -4.628654451e+00 3.34 -4.523875996e+00 -4.523875996e+00 3.36 -4.418245095e+00 -4.418245095e+00 3.38 -4.312375557e+00 -4.312375557e+00 3.40 -4.206800703e+00 -4.206800703e+00 3.42 -4.101957459e+00 -4.101957459e+00 3.44 -3.998172203e+00 -3.998172203e+00 3.46 -3.895665070e+00 -3.895665070e+00 3.48 -3.794557248e+00 -3.794557248e+00 3.50 -3.694884379e+00 -3.694884379e+00 3.52 -3.596612702e+00 -3.596612702e+00 3.54 -3.499656068e+00 -3.499656068e+00 3.56 -3.403892577e+00 -3.403892577e+00 3.58 -3.309180089e+00 -3.309180089e+00 3.60 -3.215370290e+00 -3.215370290e+00 3.62 -3.122321251e+00 -3.122321251e+00 3.64 -3.029908527e+00 -3.029908527e+00 3.66 -2.938034885e+00 -2.938034885e+00 3.68 -2.846638674e+00 -2.846638674e+00 3.70 -2.755706704e+00 -2.755706704e+00 3.72 -2.665295156e+00 -2.665295156e+00 3.74 -2.575439634e+00 -2.575439634e+00 3.76 -2.486222175e+00 -2.486222175e+00 3.78 -2.397784745e+00 -2.397784745e+00 3.80 -2.310325103e+00 -2.310325103e+00 3.82 -2.224031008e+00 -2.224031008e+00 3.84 -2.139024865e+00 -2.139024865e+00 3.86 -2.055481412e+00 -2.055481412e+00 3.88 -1.973628880e+00 -1.973628880e+00 3.90 -1.893729438e+00 -1.893729438e+00 3.92 -1.816056435e+00 -1.816056435e+00 3.94 -1.740877376e+00 -1.740877376e+00 3.96 -1.668427661e+00 -1.668427661e+00 3.98 -1.598900601e+00 -1.598900601e+00 4.00 -1.532436458e+00 -1.532436458e+00 4.02 -1.469118288e+00 -1.469118288e+00 4.04 -1.408972719e+00 -1.408972719e+00 4.06 -1.351974603e+00 -1.351974603e+00 4.08 -1.298054261e+00 -1.298054261e+00 4.10 -1.247100267e+00 -1.247100267e+00 4.12 -1.198992872e+00 -1.198992872e+00 4.14 -1.153573871e+00 -1.153573871e+00 4.16 -1.110681406e+00 -1.110681406e+00 4.18 -1.070149101e+00 -1.070149101e+00 4.20 -1.031811159e+00 -1.031811159e+00 4.22 -9.955062445e-01 -9.955062445e-01 4.24 -9.610802453e-01 -9.610802453e-01 4.26 -9.283881058e-01 -9.283881058e-01 4.28 -8.972948863e-01 -8.972948863e-01 4.30 -8.676762262e-01 -8.676762262e-01 4.32 -8.394183591e-01 -8.394183591e-01 4.34 -8.124178083e-01 -8.124178083e-01 4.36 -7.865808681e-01 -7.865808681e-01 4.38 -7.618229522e-01 -7.618229522e-01 4.40 -7.380678730e-01 -7.380678730e-01 4.42 -7.152470958e-01 -7.152470958e-01 4.44 -6.932990017e-01 -6.932990017e-01 4.46 -6.721681793e-01 -6.721681793e-01 4.48 -6.518047603e-01 -6.518047603e-01 4.50 -6.321638044e-01 -6.321638044e-01 4.52 -6.132047389e-01 -6.132047389e-01 4.54 -5.948908517e-01 -5.948908517e-01 4.56 -5.771888371e-01 -5.771888371e-01 4.58 -5.600683909e-01 -5.600683909e-01 4.60 -5.435018512e-01 -5.435018512e-01 4.62 -5.274638812e-01 -5.274638812e-01 4.64 -5.119311895e-01 -5.119311895e-01 4.66 -4.968822847e-01 -4.968822847e-01 4.68 -4.822972597e-01 -4.822972597e-01 4.70 -4.681576025e-01 -4.681576025e-01 4.72 -4.544460308e-01 -4.544460308e-01 4.74 -4.411463462e-01 -4.411463462e-01 4.76 -4.282433071e-01 -4.282433071e-01 4.78 -4.157225161e-01 -4.157225161e-01 4.80 -4.035669630e-01 -4.035669630e-01 4.82 -3.917709456e-01 -3.917709456e-01 4.84 -3.803180213e-01 -3.803180213e-01 4.86 -3.691963073e-01 -3.691963073e-01 4.88 -3.583943427e-01 -3.583943427e-01 4.90 -3.479010942e-01 -3.479010942e-01 4.92 -3.377058847e-01 -3.377058847e-01 4.94 -3.277983405e-01 -3.277983405e-01 4.96 -3.181683532e-01 -3.181683532e-01 4.98 -3.088060470e-01 -3.088060470e-01 5.00 -2.997017492e-01 -2.997017492e-01 5.02 -2.908459665e-01 -2.908459665e-01 5.04 -2.822293652e-01 -2.822293652e-01 5.06 -2.738427583e-01 -2.738427583e-01 5.08 -2.656770981e-01 -2.656770981e-01 5.10 -2.577234776e-01 -2.577234776e-01 5.12 -2.499731405e-01 -2.499731405e-01 5.14 -2.424175025e-01 -2.424175025e-01 5.16 -2.350481849e-01 -2.350481849e-01 5.18 -2.278570632e-01 -2.278570632e-01 5.20 -2.208363309e-01 -2.208363309e-01 5.22 -2.139785804e-01 -2.139785804e-01 5.24 -2.072769012e-01 -2.072769012e-01 5.26 -2.007249932e-01 -2.007249932e-01 5.28 -1.943172921e-01 -1.943172921e-01 5.30 -1.880491018e-01 -1.880491018e-01 5.32 -1.819167245e-01 -1.819167245e-01 5.34 -1.759175773e-01 -1.759175773e-01 5.36 -1.700502819e-01 -1.700502819e-01 5.38 -1.643147106e-01 -1.643147106e-01 5.40 -1.587119752e-01 -1.587119752e-01 5.42 -1.532443446e-01 -1.532443446e-01 5.44 -1.479150829e-01 -1.479150829e-01 5.46 -1.427282130e-01 -1.427282130e-01 5.48 -1.376882004e-01 -1.376882004e-01 5.50 -1.327995926e-01 -1.327995926e-01 5.52 -1.280666388e-01 -1.280666388e-01 5.54 -1.234929160e-01 -1.234929160e-01 5.56 -1.190809950e-01 -1.190809950e-01 5.58 -1.148321785e-01 -1.148321785e-01 5.60 -1.107458809e-01 -1.107458809e-01 5.62 -1.068202235e-01 -1.068202235e-01 5.64 -1.030525004e-01 -1.030525004e-01 5.66 -9.943847160e-02 -9.943847160e-02 5.68 -9.597256325e-02 -9.597256325e-02 5.70 -9.264811148e-02 -9.264811148e-02 5.72 -8.945762106e-02 -8.945762106e-02 5.74 -8.639301782e-02 -8.639301782e-02 5.76 -8.344587904e-02 -8.344587904e-02 5.78 -8.060763224e-02 -8.060763224e-02 5.80 -7.786971793e-02 -7.786971793e-02 5.82 -7.522371638e-02 -7.522371638e-02 5.84 -7.266144135e-02 -7.266144135e-02 5.86 -7.017500588e-02 -7.017500588e-02 5.88 -6.775686589e-02 -6.775686589e-02 5.90 -6.539984789e-02 -6.539984789e-02 5.92 -6.309716662e-02 -6.309716662e-02 5.94 -6.084243801e-02 -6.084243801e-02 5.96 -5.862969206e-02 -5.862969206e-02 5.98 -5.645338951e-02 -5.645338951e-02 6.00 -5.430844529e-02 -5.430844529e-02