# 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 = Ni2PtZr # 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 2.512219317e+02 2.512219317e+02 1.30 2.332984337e+02 2.332984337e+02 1.32 2.166237972e+02 2.166237972e+02 1.34 2.011137562e+02 2.011137562e+02 1.36 1.866951834e+02 1.866951834e+02 1.38 1.732946745e+02 1.732946745e+02 1.40 1.608340657e+02 1.608340657e+02 1.42 1.492338287e+02 1.492338287e+02 1.44 1.384187683e+02 1.384187683e+02 1.46 1.283227557e+02 1.283227557e+02 1.48 1.188911357e+02 1.188911357e+02 1.50 1.100798814e+02 1.100798814e+02 1.52 1.018515316e+02 1.018515316e+02 1.54 9.417043062e+01 9.417043062e+01 1.56 8.699954715e+01 8.699954715e+01 1.58 8.030025418e+01 8.030025418e+01 1.60 7.403399210e+01 7.403399210e+01 1.62 6.816442698e+01 6.816442698e+01 1.64 6.265902445e+01 6.265902445e+01 1.66 5.748982616e+01 5.748982616e+01 1.68 5.263344509e+01 5.263344509e+01 1.70 4.807033728e+01 4.807033728e+01 1.72 4.378390335e+01 4.378390335e+01 1.74 3.975948505e+01 3.975948505e+01 1.76 3.598347583e+01 3.598347583e+01 1.78 3.244292011e+01 3.244292011e+01 1.80 2.912564577e+01 2.912564577e+01 1.82 2.602493165e+01 2.602493165e+01 1.84 2.317402783e+01 2.317402783e+01 1.86 2.056378921e+01 2.056378921e+01 1.88 1.817403842e+01 1.817403842e+01 1.90 1.598555915e+01 1.598555915e+01 1.92 1.398027730e+01 1.398027730e+01 1.94 1.214159784e+01 1.214159784e+01 1.96 1.045457438e+01 1.045457438e+01 1.98 8.905985886e+00 8.905985886e+00 2.00 7.484277392e+00 7.484277392e+00 2.02 6.179370640e+00 6.179370640e+00 2.04 4.982401145e+00 4.982401145e+00 2.06 3.885444956e+00 3.885444956e+00 2.08 2.881299548e+00 2.881299548e+00 2.10 1.963290520e+00 1.963290520e+00 2.12 1.125181580e+00 1.125181580e+00 2.14 3.611085980e-01 3.611085980e-01 2.16 -3.344317265e-01 -3.344317265e-01 2.18 -9.665843789e-01 -9.665843789e-01 2.20 -1.540134985e+00 -1.540134985e+00 2.22 -2.059530489e+00 -2.059530489e+00 2.24 -2.528892596e+00 -2.528892596e+00 2.26 -2.952022403e+00 -2.952022403e+00 2.28 -3.332393156e+00 -3.332393156e+00 2.30 -3.673164691e+00 -3.673164691e+00 2.32 -3.977224709e+00 -3.977224709e+00 2.34 -4.247228367e+00 -4.247228367e+00 2.36 -4.485673526e+00 -4.485673526e+00 2.38 -4.694939748e+00 -4.694939748e+00 2.40 -4.877307512e+00 -4.877307512e+00 2.42 -5.034966459e+00 -5.034966459e+00 2.44 -5.170014096e+00 -5.170014096e+00 2.46 -5.284466686e+00 -5.284466686e+00 2.48 -5.380266141e+00 -5.380266141e+00 2.50 -5.459280321e+00 -5.459280321e+00 2.52 -5.523310837e+00 -5.523310837e+00 2.54 -5.574069012e+00 -5.574069012e+00 2.56 -5.612999038e+00 -5.612999038e+00 2.58 -5.642102063e+00 -5.642102063e+00 2.60 -5.663073631e+00 -5.663073631e+00 2.62 -5.676436625e+00 -5.676436625e+00 2.64 -5.682624412e+00 -5.682624412e+00 2.66 -5.681998561e+00 -5.681998561e+00 2.68 -5.674883119e+00 -5.674883119e+00 2.70 -5.661497077e+00 -5.661497077e+00 2.72 -5.642042422e+00 -5.642042422e+00 2.74 -5.616778830e+00 -5.616778830e+00 2.76 -5.586010077e+00 -5.586010077e+00 2.78 -5.550061159e+00 -5.550061159e+00 2.80 -5.509258791e+00 -5.509258791e+00 2.82 -5.463906704e+00 -5.463906704e+00 2.84 -5.414287895e+00 -5.414287895e+00 2.86 -5.360666199e+00 -5.360666199e+00 2.88 -5.303298730e+00 -5.303298730e+00 2.90 -5.242452545e+00 -5.242452545e+00 2.92 -5.178420678e+00 -5.178420678e+00 2.94 -5.111533152e+00 -5.111533152e+00 2.96 -5.042145622e+00 -5.042145622e+00 2.98 -4.970535364e+00 -4.970535364e+00 3.00 -4.896966039e+00 -4.896966039e+00 3.02 -4.821725398e+00 -4.821725398e+00 3.04 -4.745095149e+00 -4.745095149e+00 3.06 -4.667342319e+00 -4.667342319e+00 3.08 -4.588685586e+00 -4.588685586e+00 3.10 -4.509307309e+00 -4.509307309e+00 3.12 -4.429352265e+00 -4.429352265e+00 3.14 -4.348944071e+00 -4.348944071e+00 3.16 -4.268182461e+00 -4.268182461e+00 3.18 -4.187159867e+00 -4.187159867e+00 3.20 -4.105964455e+00 -4.105964455e+00 3.22 -4.024683478e+00 -4.024683478e+00 3.24 -3.943405546e+00 -3.943405546e+00 3.26 -3.862222467e+00 -3.862222467e+00 3.28 -3.781230625e+00 -3.781230625e+00 3.30 -3.700531170e+00 -3.700531170e+00 3.32 -3.620228240e+00 -3.620228240e+00 3.34 -3.540424988e+00 -3.540424988e+00 3.36 -3.461218079e+00 -3.461218079e+00 3.38 -3.382694625e+00 -3.382694625e+00 3.40 -3.304962246e+00 -3.304962246e+00 3.42 -3.228132804e+00 -3.228132804e+00 3.44 -3.152282628e+00 -3.152282628e+00 3.46 -3.077460619e+00 -3.077460619e+00 3.48 -3.003691897e+00 -3.003691897e+00 3.50 -2.930982896e+00 -2.930982896e+00 3.52 -2.859326182e+00 -2.859326182e+00 3.54 -2.788704772e+00 -2.788704772e+00 3.56 -2.719095842e+00 -2.719095842e+00 3.58 -2.650473790e+00 -2.650473790e+00 3.60 -2.582812634e+00 -2.582812634e+00 3.62 -2.516087772e+00 -2.516087772e+00 3.64 -2.450277183e+00 -2.450277183e+00 3.66 -2.385362203e+00 -2.385362203e+00 3.68 -2.321328079e+00 -2.321328079e+00 3.70 -2.258164513e+00 -2.258164513e+00 3.72 -2.195866426e+00 -2.195866426e+00 3.74 -2.134435029e+00 -2.134435029e+00 3.76 -2.073879221e+00 -2.073879221e+00 3.78 -2.014217107e+00 -2.014217107e+00 3.80 -1.955477292e+00 -1.955477292e+00 3.82 -1.897699451e+00 -1.897699451e+00 3.84 -1.840933665e+00 -1.840933665e+00 3.86 -1.785238146e+00 -1.785238146e+00 3.88 -1.730675236e+00 -1.730675236e+00 3.90 -1.677306016e+00 -1.677306016e+00 3.92 -1.625183117e+00 -1.625183117e+00 3.94 -1.574349747e+00 -1.574349747e+00 3.96 -1.524827755e+00 -1.524827755e+00 3.98 -1.476620740e+00 -1.476620740e+00 4.00 -1.429712810e+00 -1.429712810e+00 4.02 -1.384071064e+00 -1.384071064e+00 4.04 -1.339649847e+00 -1.339649847e+00 4.06 -1.296396007e+00 -1.296396007e+00 4.08 -1.254254398e+00 -1.254254398e+00 4.10 -1.213169102e+00 -1.213169102e+00 4.12 -1.173103643e+00 -1.173103643e+00 4.14 -1.134018375e+00 -1.134018375e+00 4.16 -1.095889692e+00 -1.095889692e+00 4.18 -1.058705092e+00 -1.058705092e+00 4.20 -1.022461655e+00 -1.022461655e+00 4.22 -9.871634643e-01 -9.871634643e-01 4.24 -9.528184120e-01 -9.528184120e-01 4.26 -9.194348828e-01 -9.194348828e-01 4.28 -8.870188040e-01 -8.870188040e-01 4.30 -8.555714674e-01 -8.555714674e-01 4.32 -8.250883578e-01 -8.250883578e-01 4.34 -7.955590286e-01 -7.955590286e-01 4.36 -7.669678753e-01 -7.669678753e-01 4.38 -7.392955089e-01 -7.392955089e-01 4.40 -7.125203646e-01 -7.125203646e-01 4.42 -6.866201785e-01 -6.866201785e-01 4.44 -6.615730394e-01 -6.615730394e-01 4.46 -6.373578414e-01 -6.373578414e-01 4.48 -6.139541018e-01 -6.139541018e-01 4.50 -5.913412450e-01 -5.913412450e-01 4.52 -5.694975577e-01 -5.694975577e-01 4.54 -5.483990787e-01 -5.483990787e-01 4.56 -5.280186889e-01 -5.280186889e-01 4.58 -5.083256187e-01 -5.083256187e-01 4.60 -4.892855059e-01 -4.892855059e-01 4.62 -4.708610382e-01 -4.708610382e-01 4.64 -4.530131228e-01 -4.530131228e-01 4.66 -4.357024540e-01 -4.357024540e-01 4.68 -4.188913095e-01 -4.188913095e-01 4.70 -4.025453893e-01 -4.025453893e-01 4.72 -3.866355235e-01 -3.866355235e-01 4.74 -3.711390811e-01 -3.711390811e-01 4.76 -3.560407100e-01 -3.560407100e-01 4.78 -3.413334467e-01 -3.413334467e-01 4.80 -3.270151859e-01 -3.270151859e-01 4.82 -3.131010533e-01 -3.131010533e-01 4.84 -2.996014782e-01 -2.996014782e-01 4.86 -2.865351219e-01 -2.865351219e-01 4.88 -2.739231147e-01 -2.739231147e-01 4.90 -2.617869849e-01 -2.617869849e-01 4.92 -2.501466384e-01 -2.501466384e-01 4.94 -2.390185660e-01 -2.390185660e-01 4.96 -2.284144257e-01 -2.284144257e-01 4.98 -2.183400922e-01 -2.183400922e-01 5.00 -2.087952070e-01 -2.087952070e-01 5.02 -1.997732057e-01 -1.997732057e-01 5.04 -1.912617506e-01 -1.912617506e-01 5.06 -1.832434701e-01 -1.832434701e-01 5.08 -1.756968918e-01 -1.756968918e-01 5.10 -1.685974639e-01 -1.685974639e-01 5.12 -1.619185718e-01 -1.619185718e-01 5.14 -1.556324826e-01 -1.556324826e-01 5.16 -1.497111722e-01 -1.497111722e-01 5.18 -1.441270097e-01 -1.441270097e-01 5.20 -1.388532964e-01 -1.388532964e-01 5.22 -1.338646634e-01 -1.338646634e-01 5.24 -1.291373449e-01 -1.291373449e-01 5.26 -1.246493459e-01 -1.246493459e-01 5.28 -1.203805233e-01 -1.203805233e-01 5.30 -1.163126005e-01 -1.163126005e-01 5.32 -1.124291319e-01 -1.124291319e-01 5.34 -1.087154289e-01 -1.087154289e-01 5.36 -1.051584609e-01 -1.051584609e-01 5.38 -1.017467351e-01 -1.017467351e-01 5.40 -9.847016339e-02 -9.847016339e-02 5.42 -9.531991934e-02 -9.531991934e-02 5.44 -9.228828785e-02 -9.228828785e-02 5.46 -8.936850965e-02 -8.936850965e-02 5.48 -8.655463196e-02 -8.655463196e-02 5.50 -8.384135949e-02 -8.384135949e-02 5.52 -8.122391107e-02 -8.122391107e-02 5.54 -7.869789202e-02 -7.869789202e-02 5.56 -7.625918360e-02 -7.625918360e-02 5.58 -7.390385213e-02 -7.390385213e-02 5.60 -7.162840978e-02 -7.162840978e-02 5.62 -6.942927658e-02 -6.942927658e-02 5.64 -6.730240911e-02 -6.730240911e-02 5.66 -6.524389514e-02 -6.524389514e-02 5.68 -6.324992818e-02 -6.324992818e-02 5.70 -6.131678799e-02 -6.131678799e-02 5.72 -5.944082831e-02 -5.944082831e-02 5.74 -5.761846996e-02 -5.761846996e-02 5.76 -5.584619761e-02 -5.584619761e-02 5.78 -5.412055887e-02 -5.412055887e-02 5.80 -5.243816454e-02 -5.243816454e-02 5.82 -5.079568941e-02 -5.079568941e-02 5.84 -4.918987346e-02 -4.918987346e-02 5.86 -4.761752380e-02 -4.761752380e-02 5.88 -4.607551769e-02 -4.607551769e-02 5.90 -4.456080762e-02 -4.456080762e-02 5.92 -4.307042932e-02 -4.307042932e-02 5.94 -4.160151359e-02 -4.160151359e-02 5.96 -4.015130303e-02 -4.015130303e-02 5.98 -3.871717454e-02 -3.871717454e-02 6.00 -3.729666831e-02 -3.729666831e-02