# 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 = AlAu2Co # 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 2.217226199e+02 2.217226199e+02 1.30 2.054696258e+02 2.054696258e+02 1.32 1.904097796e+02 1.904097796e+02 1.34 1.764472294e+02 1.764472294e+02 1.36 1.634947475e+02 1.634947475e+02 1.38 1.514719439e+02 1.514719439e+02 1.40 1.403047757e+02 1.403047757e+02 1.42 1.299257970e+02 1.299257970e+02 1.44 1.202745583e+02 1.202745583e+02 1.46 1.112975574e+02 1.112975574e+02 1.48 1.029470620e+02 1.029470620e+02 1.50 9.517903151e+01 9.517903151e+01 1.52 8.795145763e+01 8.795145763e+01 1.54 8.122397315e+01 8.122397315e+01 1.56 7.495828318e+01 7.495828318e+01 1.58 6.911864415e+01 6.911864415e+01 1.60 6.367214408e+01 6.367214408e+01 1.62 5.858888794e+01 5.858888794e+01 1.64 5.384211942e+01 5.384211942e+01 1.66 4.940812322e+01 4.940812322e+01 1.68 4.526852873e+01 4.526852873e+01 1.70 4.142579980e+01 4.142579980e+01 1.72 3.786368374e+01 3.786368374e+01 1.74 3.456247128e+01 3.456247128e+01 1.76 3.150460768e+01 3.150460768e+01 1.78 2.867228516e+01 2.867228516e+01 1.80 2.604865316e+01 2.604865316e+01 1.82 2.361819286e+01 2.361819286e+01 1.84 2.136664437e+01 2.136664437e+01 1.86 1.928094412e+01 1.928094412e+01 1.88 1.734915757e+01 1.734915757e+01 1.90 1.556038768e+01 1.556038768e+01 1.92 1.390466181e+01 1.390466181e+01 1.94 1.237281596e+01 1.237281596e+01 1.96 1.095639064e+01 1.095639064e+01 1.98 9.647535004e+00 9.647535004e+00 2.00 8.438910753e+00 8.438910753e+00 2.02 7.323604385e+00 7.323604385e+00 2.04 6.295070260e+00 6.295070260e+00 2.06 5.347113677e+00 5.347113677e+00 2.08 4.473898661e+00 4.473898661e+00 2.10 3.669957396e+00 3.669957396e+00 2.12 2.930188871e+00 2.930188871e+00 2.14 2.249847576e+00 2.249847576e+00 2.16 1.624528779e+00 1.624528779e+00 2.18 1.050155809e+00 1.050155809e+00 2.20 5.229703705e-01 5.229703705e-01 2.22 3.952302418e-02 3.952302418e-02 2.24 -4.033398422e-01 -4.033398422e-01 2.26 -8.084941478e-01 -8.084941478e-01 2.28 -1.178560390e+00 -1.178560390e+00 2.30 -1.515927724e+00 -1.515927724e+00 2.32 -1.822777994e+00 -1.822777994e+00 2.34 -2.101108808e+00 -2.101108808e+00 2.36 -2.352755924e+00 -2.352755924e+00 2.38 -2.579415611e+00 -2.579415611e+00 2.40 -2.782667436e+00 -2.782667436e+00 2.42 -2.963997103e+00 -2.963997103e+00 2.44 -3.124818011e+00 -3.124818011e+00 2.46 -3.266489526e+00 -3.266489526e+00 2.48 -3.390330036e+00 -3.390330036e+00 2.50 -3.497624216e+00 -3.497624216e+00 2.52 -3.589626214e+00 -3.589626214e+00 2.54 -3.667562169e+00 -3.667562169e+00 2.56 -3.732634683e+00 -3.732634683e+00 2.58 -3.786063290e+00 -3.786063290e+00 2.60 -3.829009116e+00 -3.829009116e+00 2.62 -3.862556186e+00 -3.862556186e+00 2.64 -3.887771302e+00 -3.887771302e+00 2.66 -3.905756481e+00 -3.905756481e+00 2.68 -3.917202554e+00 -3.917202554e+00 2.70 -3.922665043e+00 -3.922665043e+00 2.72 -3.923146552e+00 -3.923146552e+00 2.74 -3.919260052e+00 -3.919260052e+00 2.76 -3.910959287e+00 -3.910959287e+00 2.78 -3.898220083e+00 -3.898220083e+00 2.80 -3.881055246e+00 -3.881055246e+00 2.82 -3.859502149e+00 -3.859502149e+00 2.84 -3.833623107e+00 -3.833623107e+00 2.86 -3.803509434e+00 -3.803509434e+00 2.88 -3.769283052e+00 -3.769283052e+00 2.90 -3.731101237e+00 -3.731101237e+00 2.92 -3.689142051e+00 -3.689142051e+00 2.94 -3.643605760e+00 -3.643605760e+00 2.96 -3.594720998e+00 -3.594720998e+00 2.98 -3.542752185e+00 -3.542752185e+00 3.00 -3.488005998e+00 -3.488005998e+00 3.02 -3.430834047e+00 -3.430834047e+00 3.04 -3.371628890e+00 -3.371628890e+00 3.06 -3.310811837e+00 -3.310811837e+00 3.08 -3.248813137e+00 -3.248813137e+00 3.10 -3.186047908e+00 -3.186047908e+00 3.12 -3.122892636e+00 -3.122892636e+00 3.14 -3.059667190e+00 -3.059667190e+00 3.16 -2.996625324e+00 -2.996625324e+00 3.18 -2.933954365e+00 -2.933954365e+00 3.20 -2.871782248e+00 -2.871782248e+00 3.22 -2.810189025e+00 -2.810189025e+00 3.24 -2.749219874e+00 -2.749219874e+00 3.26 -2.688897283e+00 -2.688897283e+00 3.28 -2.629231119e+00 -2.629231119e+00 3.30 -2.570226073e+00 -2.570226073e+00 3.32 -2.511886629e+00 -2.511886629e+00 3.34 -2.454219978e+00 -2.454219978e+00 3.36 -2.397237379e+00 -2.397237379e+00 3.38 -2.340954479e+00 -2.340954479e+00 3.40 -2.285390940e+00 -2.285390940e+00 3.42 -2.230569696e+00 -2.230569696e+00 3.44 -2.176515961e+00 -2.176515961e+00 3.46 -2.123256193e+00 -2.123256193e+00 3.48 -2.070817021e+00 -2.070817021e+00 3.50 -2.019224239e+00 -2.019224239e+00 3.52 -1.968501880e+00 -1.968501880e+00 3.54 -1.918671422e+00 -1.918671422e+00 3.56 -1.869751124e+00 -1.869751124e+00 3.58 -1.821755525e+00 -1.821755525e+00 3.60 -1.774695098e+00 -1.774695098e+00 3.62 -1.728576059e+00 -1.728576059e+00 3.64 -1.683400325e+00 -1.683400325e+00 3.66 -1.639165605e+00 -1.639165605e+00 3.68 -1.595865600e+00 -1.595865600e+00 3.70 -1.553490292e+00 -1.553490292e+00 3.72 -1.512026301e+00 -1.512026301e+00 3.74 -1.471457272e+00 -1.471457272e+00 3.76 -1.431764277e+00 -1.431764277e+00 3.78 -1.392926217e+00 -1.392926217e+00 3.80 -1.354920193e+00 -1.354920193e+00 3.82 -1.317721865e+00 -1.317721865e+00 3.84 -1.281305782e+00 -1.281305782e+00 3.86 -1.245645682e+00 -1.245645682e+00 3.88 -1.210714768e+00 -1.210714768e+00 3.90 -1.176485952e+00 -1.176485952e+00 3.92 -1.142932056e+00 -1.142932056e+00 3.94 -1.110025993e+00 -1.110025993e+00 3.96 -1.077740879e+00 -1.077740879e+00 3.98 -1.046050149e+00 -1.046050149e+00 4.00 -1.014927662e+00 -1.014927662e+00 4.02 -9.843478406e-01 -9.843478406e-01 4.04 -9.542858951e-01 -9.542858951e-01 4.06 -9.247181701e-01 -9.247181701e-01 4.08 -8.956226696e-01 -8.956226696e-01 4.10 -8.669797757e-01 -8.669797757e-01 4.12 -8.387732382e-01 -8.387732382e-01 4.14 -8.109912474e-01 -8.109912474e-01 4.16 -7.836277538e-01 -7.836277538e-01 4.18 -7.566837461e-01 -7.566837461e-01 4.20 -7.301683989e-01 -7.301683989e-01 4.22 -7.040998793e-01 -7.040998793e-01 4.24 -6.785055939e-01 -6.785055939e-01 4.26 -6.534216866e-01 -6.534216866e-01 4.28 -6.288916561e-01 -6.288916561e-01 4.30 -6.049640814e-01 -6.049640814e-01 4.32 -5.816895806e-01 -5.816895806e-01 4.34 -5.591172742e-01 -5.591172742e-01 4.36 -5.372911263e-01 -5.372911263e-01 4.38 -5.162465840e-01 -5.162465840e-01 4.40 -4.960078911e-01 -4.960078911e-01 4.42 -4.765863441e-01 -4.765863441e-01 4.44 -4.579796067e-01 -4.579796067e-01 4.46 -4.401720402e-01 -4.401720402e-01 4.48 -4.231358812e-01 -4.231358812e-01 4.50 -4.068330205e-01 -4.068330205e-01 4.52 -3.912171152e-01 -3.912171152e-01 4.54 -3.762357901e-01 -3.762357901e-01 4.56 -3.618327397e-01 -3.618327397e-01 4.58 -3.479496061e-01 -3.479496061e-01 4.60 -3.345275743e-01 -3.345275743e-01 4.62 -3.215086790e-01 -3.215086790e-01 4.64 -3.088368532e-01 -3.088368532e-01 4.66 -2.964587766e-01 -2.964587766e-01 4.68 -2.843245849e-01 -2.843245849e-01 4.70 -2.723885086e-01 -2.723885086e-01 4.72 -2.606094927e-01 -2.606094927e-01 4.74 -2.489518427e-01 -2.489518427e-01 4.76 -2.373859166e-01 -2.373859166e-01 4.78 -2.258888646e-01 -2.258888646e-01 4.80 -2.144453848e-01 -2.144453848e-01 4.82 -2.030484836e-01 -2.030484836e-01 4.84 -1.917000650e-01 -1.917000650e-01 4.86 -1.804113912e-01 -1.804113912e-01 4.88 -1.692032027e-01 -1.692032027e-01 4.90 -1.581054379e-01 -1.581054379e-01 4.92 -1.471564645e-01 -1.471564645e-01 4.94 -1.364017764e-01 -1.364017764e-01 4.96 -1.258921728e-01 -1.258921728e-01 4.98 -1.156814954e-01 -1.156814954e-01 5.00 -1.058240670e-01 -1.058240670e-01 5.02 -9.637202497e-02 -9.637202497e-02 5.04 -8.737277005e-02 -8.737277005e-02 5.06 -7.886674250e-02 -7.886674250e-02 5.08 -7.088569641e-02 -7.088569641e-02 5.10 -6.345159661e-02 -6.345159661e-02 5.12 -5.657616873e-02 -5.657616873e-02 5.14 -5.026108733e-02 -5.026108733e-02 5.16 -4.449870621e-02 -4.449870621e-02 5.18 -3.927319414e-02 -3.927319414e-02 5.20 -3.456191080e-02 -3.456191080e-02 5.22 -3.033661622e-02 -3.033661622e-02 5.24 -2.656582951e-02 -2.656582951e-02 5.26 -2.321583280e-02 -2.321583280e-02 5.28 -2.025166802e-02 -2.025166802e-02 5.30 -1.763799784e-02 -1.763799784e-02 5.32 -1.534089894e-02 -1.534089894e-02 5.34 -1.332787000e-02 -1.332787000e-02 5.36 -1.156820648e-02 -1.156820648e-02 5.38 -1.003333701e-02 -1.003333701e-02 5.40 -8.697006277e-03 -8.697006277e-03 5.42 -7.535338471e-03 -7.535338471e-03 5.44 -6.526811783e-03 -6.526811783e-03 5.46 -5.652169759e-03 -5.652169759e-03 5.48 -4.894290704e-03 -4.894290704e-03 5.50 -4.238031786e-03 -4.238031786e-03 5.52 -3.670060546e-03 -3.670060546e-03 5.54 -3.178683156e-03 -3.178683156e-03 5.56 -2.753676023e-03 -2.753676023e-03 5.58 -2.386125167e-03 -2.386125167e-03 5.60 -2.068276132e-03 -2.068276132e-03 5.62 -1.793395953e-03 -1.793395953e-03 5.64 -1.555647769e-03 -1.555647769e-03 5.66 -1.349978071e-03 -1.349978071e-03 5.68 -1.172016126e-03 -1.172016126e-03 5.70 -1.017984851e-03 -1.017984851e-03 5.72 -8.846222828e-04 -8.846222828e-04 5.74 -7.691126735e-04 -7.691126735e-04 5.76 -6.690262810e-04 -6.690262810e-04 5.78 -5.822669076e-04 -5.822669076e-04 5.80 -5.070263139e-04 -5.070263139e-04 5.82 -4.417446913e-04 -4.417446913e-04 5.84 -3.850764475e-04 -3.850764475e-04 5.86 -3.358606348e-04 -3.358606348e-04 5.88 -2.930954200e-04 -2.930954200e-04 5.90 -2.559160653e-04 -2.559160653e-04 5.92 -2.235759509e-04 -2.235759509e-04 5.94 -1.954302276e-04 -1.954302276e-04 5.96 -1.709217419e-04 -1.709217419e-04 5.98 -1.495689207e-04 -1.495689207e-04 6.00 -1.309553438e-04 -1.309553438e-04