# 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 = Ag2AuW # 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 3.710694202e+02 3.710694202e+02 1.30 3.436200785e+02 3.436200785e+02 1.32 3.182134556e+02 3.182134556e+02 1.34 2.946959680e+02 2.946959680e+02 1.36 2.729287920e+02 2.729287920e+02 1.38 2.527830216e+02 2.527830216e+02 1.40 2.341360494e+02 2.341360494e+02 1.42 2.168703416e+02 2.168703416e+02 1.44 2.008743039e+02 2.008743039e+02 1.46 1.860439428e+02 1.860439428e+02 1.48 1.722841707e+02 1.722841707e+02 1.50 1.595091925e+02 1.595091925e+02 1.52 1.476419597e+02 1.476419597e+02 1.54 1.366130893e+02 1.366130893e+02 1.56 1.263597122e+02 1.263597122e+02 1.58 1.168245067e+02 1.168245067e+02 1.60 1.079549571e+02 1.079549571e+02 1.62 9.970279335e+01 9.970279335e+01 1.64 9.202357301e+01 9.202357301e+01 1.66 8.487638421e+01 8.487638421e+01 1.68 7.822364064e+01 7.822364064e+01 1.70 7.203090412e+01 7.203090412e+01 1.72 6.626665294e+01 6.626665294e+01 1.74 6.090238019e+01 6.090238019e+01 1.76 5.591163324e+01 5.591163324e+01 1.78 5.127734746e+01 5.127734746e+01 1.80 4.698155092e+01 4.698155092e+01 1.82 4.300087599e+01 4.300087599e+01 1.84 3.931484888e+01 3.931484888e+01 1.86 3.590196666e+01 3.590196666e+01 1.88 3.274219724e+01 3.274219724e+01 1.90 2.981708558e+01 2.981708558e+01 1.92 2.710962390e+01 2.710962390e+01 1.94 2.460409020e+01 2.460409020e+01 1.96 2.228591091e+01 2.228591091e+01 1.98 2.014156348e+01 2.014156348e+01 2.00 1.815849718e+01 1.815849718e+01 2.02 1.632504445e+01 1.632504445e+01 2.04 1.463031600e+01 1.463031600e+01 2.06 1.306409403e+01 1.306409403e+01 2.08 1.161674592e+01 1.161674592e+01 2.10 1.027917558e+01 1.027917558e+01 2.12 9.042818594e+00 9.042818594e+00 2.14 7.899673410e+00 7.899673410e+00 2.16 6.842349884e+00 6.842349884e+00 2.18 5.864112002e+00 5.864112002e+00 2.20 4.958895518e+00 4.958895518e+00 2.22 4.121290739e+00 4.121290739e+00 2.24 3.346491631e+00 3.346491631e+00 2.26 2.630220955e+00 2.630220955e+00 2.28 1.968644891e+00 1.968644891e+00 2.30 1.358340039e+00 1.358340039e+00 2.32 7.961612827e-01 7.961612827e-01 2.34 2.790312396e-01 2.790312396e-01 2.36 -1.959174009e-01 -1.959174009e-01 2.38 -6.313768695e-01 -6.313768695e-01 2.40 -1.029893263e+00 -1.029893263e+00 2.42 -1.393885600e+00 -1.393885600e+00 2.44 -1.725647138e+00 -1.725647138e+00 2.46 -2.027162992e+00 -2.027162992e+00 2.48 -2.300183842e+00 -2.300183842e+00 2.50 -2.546432023e+00 -2.546432023e+00 2.52 -2.767593604e+00 -2.767593604e+00 2.54 -2.965307560e+00 -2.965307560e+00 2.56 -3.141160201e+00 -3.141160201e+00 2.58 -3.296683344e+00 -3.296683344e+00 2.60 -3.433352710e+00 -3.433352710e+00 2.62 -3.552582322e+00 -3.552582322e+00 2.64 -3.655712652e+00 -3.655712652e+00 2.66 -3.743994227e+00 -3.743994227e+00 2.68 -3.818572040e+00 -3.818572040e+00 2.70 -3.880476565e+00 -3.880476565e+00 2.72 -3.930624596e+00 -3.930624596e+00 2.74 -3.969900577e+00 -3.969900577e+00 2.76 -3.999024268e+00 -3.999024268e+00 2.78 -4.018529967e+00 -4.018529967e+00 2.80 -4.028919416e+00 -4.028919416e+00 2.82 -4.030670045e+00 -4.030670045e+00 2.84 -4.024241951e+00 -4.024241951e+00 2.86 -4.010084175e+00 -4.010084175e+00 2.88 -3.988630886e+00 -3.988630886e+00 2.90 -3.960310011e+00 -3.960310011e+00 2.92 -3.925565261e+00 -3.925565261e+00 2.94 -3.884865596e+00 -3.884865596e+00 2.96 -3.838712526e+00 -3.838712526e+00 2.98 -3.787644228e+00 -3.787644228e+00 3.00 -3.732247942e+00 -3.732247942e+00 3.02 -3.673327097e+00 -3.673327097e+00 3.04 -3.611382010e+00 -3.611382010e+00 3.06 -3.546816861e+00 -3.546816861e+00 3.08 -3.480046906e+00 -3.480046906e+00 3.10 -3.411469898e+00 -3.411469898e+00 3.12 -3.341441235e+00 -3.341441235e+00 3.14 -3.270255867e+00 -3.270255867e+00 3.16 -3.198140761e+00 -3.198140761e+00 3.18 -3.125269835e+00 -3.125269835e+00 3.20 -3.051759959e+00 -3.051759959e+00 3.22 -2.977672498e+00 -2.977672498e+00 3.24 -2.903029027e+00 -2.903029027e+00 3.26 -2.827827935e+00 -2.827827935e+00 3.28 -2.752060423e+00 -2.752060423e+00 3.30 -2.675725003e+00 -2.675725003e+00 3.32 -2.598840066e+00 -2.598840066e+00 3.34 -2.521454205e+00 -2.521454205e+00 3.36 -2.443654066e+00 -2.443654066e+00 3.38 -2.365569410e+00 -2.365569410e+00 3.40 -2.287375053e+00 -2.287375053e+00 3.42 -2.209289400e+00 -2.209289400e+00 3.44 -2.131569441e+00 -2.131569441e+00 3.46 -2.054502383e+00 -2.054502383e+00 3.48 -1.978394427e+00 -1.978394427e+00 3.50 -1.903557578e+00 -1.903557578e+00 3.52 -1.830295638e+00 -1.830295638e+00 3.54 -1.758890705e+00 -1.758890705e+00 3.56 -1.689591386e+00 -1.689591386e+00 3.58 -1.622603712e+00 -1.622603712e+00 3.60 -1.558085365e+00 -1.558085365e+00 3.62 -1.496143369e+00 -1.496143369e+00 3.64 -1.436835010e+00 -1.436835010e+00 3.66 -1.380171425e+00 -1.380171425e+00 3.68 -1.326123143e+00 -1.326123143e+00 3.70 -1.274626794e+00 -1.274626794e+00 3.72 -1.225592279e+00 -1.225592279e+00 3.74 -1.178909813e+00 -1.178909813e+00 3.76 -1.134456419e+00 -1.134456419e+00 3.78 -1.092101606e+00 -1.092101606e+00 3.80 -1.051712100e+00 -1.051712100e+00 3.82 -1.013155612e+00 -1.013155612e+00 3.84 -9.763036747e-01 -9.763036747e-01 3.86 -9.410336635e-01 -9.410336635e-01 3.88 -9.072300992e-01 -9.072300992e-01 3.90 -8.747853653e-01 -8.747853653e-01 3.92 -8.435999595e-01 -8.435999595e-01 3.94 -8.135824018e-01 -8.135824018e-01 3.96 -7.846488877e-01 -7.846488877e-01 3.98 -7.567228062e-01 -7.567228062e-01 4.00 -7.297341864e-01 -7.297341864e-01 4.02 -7.036191530e-01 -7.036191530e-01 4.04 -6.783194463e-01 -6.783194463e-01 4.06 -6.537820516e-01 -6.537820516e-01 4.08 -6.299589714e-01 -6.299589714e-01 4.10 -6.068071513e-01 -6.068071513e-01 4.12 -5.842885814e-01 -5.842885814e-01 4.14 -5.623705049e-01 -5.623705049e-01 4.16 -5.410257643e-01 -5.410257643e-01 4.18 -5.202331738e-01 -5.202331738e-01 4.20 -4.999778577e-01 -4.999778577e-01 4.22 -4.802514549e-01 -4.802514549e-01 4.24 -4.610520846e-01 -4.610520846e-01 4.26 -4.423839735e-01 -4.423839735e-01 4.28 -4.242566742e-01 -4.242566742e-01 4.30 -4.066838469e-01 -4.066838469e-01 4.32 -3.896816407e-01 -3.896816407e-01 4.34 -3.732667793e-01 -3.732667793e-01 4.36 -3.574545156e-01 -3.574545156e-01 4.38 -3.422566578e-01 -3.422566578e-01 4.40 -3.276798725e-01 -3.276798725e-01 4.42 -3.137244358e-01 -3.137244358e-01 4.44 -3.003835386e-01 -3.003835386e-01 4.46 -2.876431717e-01 -2.876431717e-01 4.48 -2.754825417e-01 -2.754825417e-01 4.50 -2.638749066e-01 -2.638749066e-01 4.52 -2.527886900e-01 -2.527886900e-01 4.54 -2.421887285e-01 -2.421887285e-01 4.56 -2.320375261e-01 -2.320375261e-01 4.58 -2.222964191e-01 -2.222964191e-01 4.60 -2.129265956e-01 -2.129265956e-01 4.62 -2.038899441e-01 -2.038899441e-01 4.64 -1.951497368e-01 -1.951497368e-01 4.66 -1.866711670e-01 -1.866711670e-01 4.68 -1.784217765e-01 -1.784217765e-01 4.70 -1.703718056e-01 -1.703718056e-01 4.72 -1.624945002e-01 -1.624945002e-01 4.74 -1.547664039e-01 -1.547664039e-01 4.76 -1.471676503e-01 -1.471676503e-01 4.78 -1.396822656e-01 -1.396822656e-01 4.80 -1.322984722e-01 -1.322984722e-01 4.82 -1.250089878e-01 -1.250089878e-01 4.84 -1.178112649e-01 -1.178112649e-01 4.86 -1.107076681e-01 -1.107076681e-01 4.88 -1.037055151e-01 -1.037055151e-01 4.90 -9.681694953e-02 -9.681694953e-02 4.92 -9.005860150e-02 -9.005860150e-02 4.94 -8.345100902e-02 -8.345100902e-02 4.96 -7.701779591e-02 -7.701779591e-02 4.98 -7.078462372e-02 -7.078462372e-02 5.00 -6.477797023e-02 -6.477797023e-02 5.02 -5.902381072e-02 -5.902381072e-02 5.04 -5.354629559e-02 -5.354629559e-02 5.06 -4.836652769e-02 -4.836652769e-02 5.08 -4.350153602e-02 -4.350153602e-02 5.10 -3.896329605e-02 -3.896329605e-02 5.12 -3.475858891e-02 -3.475858891e-02 5.14 -3.088922103e-02 -3.088922103e-02 5.16 -2.735175672e-02 -2.735175672e-02 5.18 -2.413799612e-02 -2.413799612e-02 5.20 -2.123549946e-02 -2.123549946e-02 5.22 -1.862843435e-02 -1.862843435e-02 5.24 -1.629899465e-02 -1.629899465e-02 5.26 -1.422763678e-02 -1.422763678e-02 5.28 -1.239383432e-02 -1.239383432e-02 5.30 -1.077676019e-02 -1.077676019e-02 5.32 -9.355848283e-03 -9.355848283e-03 5.34 -8.111231614e-03 -8.111231614e-03 5.36 -7.024063515e-03 -7.024063515e-03 5.38 -6.076734409e-03 -6.076734409e-03 5.40 -5.252999971e-03 -5.252999971e-03 5.42 -4.538037421e-03 -4.538037421e-03 5.44 -3.918446065e-03 -3.918446065e-03 5.46 -3.382206647e-03 -3.382206647e-03 5.48 -2.918611986e-03 -2.918611986e-03 5.50 -2.518179157e-03 -2.518179157e-03 5.52 -2.172551321e-03 -2.172551321e-03 5.54 -1.874395389e-03 -1.874395389e-03 5.56 -1.617300038e-03 -1.617300038e-03 5.58 -1.395677226e-03 -1.395677226e-03 5.60 -1.204669312e-03 -1.204669312e-03 5.62 -1.040062982e-03 -1.040062982e-03 5.64 -8.982106283e-04 -8.982106283e-04 5.66 -7.759593258e-04 -7.759593258e-04 5.68 -6.705872664e-04 -6.705872664e-04 5.70 -5.797472921e-04 -5.797472921e-04 5.72 -5.014170476e-04 -5.014170476e-04 5.74 -4.338552038e-04 -4.338552038e-04 5.76 -3.755631770e-04 -3.755631770e-04 5.78 -3.252517767e-04 -3.252517767e-04 5.80 -2.818122329e-04 -2.818122329e-04 5.82 -2.442910935e-04 -2.442910935e-04 5.84 -2.118685180e-04 -2.118685180e-04 5.86 -1.838395418e-04 -1.838395418e-04 5.88 -1.595979277e-04 -1.595979277e-04 5.90 -1.386222630e-04 -1.386222630e-04 5.92 -1.204640018e-04 -1.204640018e-04 5.94 -1.047371875e-04 -1.047371875e-04 5.96 -9.110962497e-05 -9.110962497e-05 5.98 -7.929530063e-05 -7.929530063e-05 6.00 -6.904787696e-05 -6.904787696e-05