# 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 = CuMo2Pb # 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 2.993316526e+02 2.993316526e+02 1.30 2.781906716e+02 2.781906716e+02 1.32 2.585884967e+02 2.585884967e+02 1.34 2.403989173e+02 2.403989173e+02 1.36 2.235067972e+02 2.235067972e+02 1.38 2.078077789e+02 2.078077789e+02 1.40 1.932078511e+02 1.932078511e+02 1.42 1.796223378e+02 1.796223378e+02 1.44 1.669744209e+02 1.669744209e+02 1.46 1.551936945e+02 1.551936945e+02 1.48 1.442152775e+02 1.442152775e+02 1.50 1.339796074e+02 1.339796074e+02 1.52 1.244325660e+02 1.244325660e+02 1.54 1.155253421e+02 1.155253421e+02 1.56 1.072137663e+02 1.072137663e+02 1.58 9.945738296e+01 9.945738296e+01 1.60 9.221866792e+01 9.221866792e+01 1.62 8.546257901e+01 8.546257901e+01 1.64 7.915632404e+01 7.915632404e+01 1.66 7.326923414e+01 7.326923414e+01 1.68 6.777267427e+01 6.777267427e+01 1.70 6.264000569e+01 6.264000569e+01 1.72 5.784654002e+01 5.784654002e+01 1.74 5.337154796e+01 5.337154796e+01 1.76 4.919751274e+01 4.919751274e+01 1.78 4.530693776e+01 4.530693776e+01 1.80 4.168798200e+01 4.168798200e+01 1.82 3.832319184e+01 3.832319184e+01 1.84 3.519595793e+01 3.519595793e+01 1.86 3.229079105e+01 3.229079105e+01 1.88 2.959315145e+01 2.959315145e+01 1.90 2.708929947e+01 2.708929947e+01 1.92 2.476620628e+01 2.476620628e+01 1.94 2.261152051e+01 2.261152051e+01 1.96 2.061356153e+01 2.061356153e+01 1.98 1.876131771e+01 1.876131771e+01 2.00 1.704441766e+01 1.704441766e+01 2.02 1.545307215e+01 1.545307215e+01 2.04 1.397800003e+01 1.397800003e+01 2.06 1.261036593e+01 1.261036593e+01 2.08 1.134175201e+01 1.134175201e+01 2.10 1.016417889e+01 1.016417889e+01 2.12 9.070167703e+00 9.070167703e+00 2.14 8.052822983e+00 8.052822983e+00 2.16 7.105909995e+00 7.105909995e+00 2.18 6.223897089e+00 6.223897089e+00 2.20 5.401942340e+00 5.401942340e+00 2.22 4.635828262e+00 4.635828262e+00 2.24 3.921855462e+00 3.921855462e+00 2.26 3.256720611e+00 3.256720611e+00 2.28 2.637398584e+00 2.637398584e+00 2.30 2.061057868e+00 2.061057868e+00 2.32 1.525001036e+00 1.525001036e+00 2.34 1.026654821e+00 1.026654821e+00 2.36 5.635771622e-01 5.635771622e-01 2.38 1.334812465e-01 1.334812465e-01 2.40 -2.657452415e-01 -2.657452415e-01 2.42 -6.360328197e-01 -6.360328197e-01 2.44 -9.791361142e-01 -9.791361142e-01 2.46 -1.296646443e+00 -1.296646443e+00 2.48 -1.589977911e+00 -1.589977911e+00 2.50 -1.860203491e+00 -1.860203491e+00 2.52 -2.108669828e+00 -2.108669828e+00 2.54 -2.336679282e+00 -2.336679282e+00 2.56 -2.545397518e+00 -2.545397518e+00 2.58 -2.735875966e+00 -2.735875966e+00 2.60 -2.909074048e+00 -2.909074048e+00 2.62 -3.065880776e+00 -3.065880776e+00 2.64 -3.207139395e+00 -3.207139395e+00 2.66 -3.333547960e+00 -3.333547960e+00 2.68 -3.445476412e+00 -3.445476412e+00 2.70 -3.543295259e+00 -3.543295259e+00 2.72 -3.627436828e+00 -3.627436828e+00 2.74 -3.698380524e+00 -3.698380524e+00 2.76 -3.756636744e+00 -3.756636744e+00 2.78 -3.802732658e+00 -3.802732658e+00 2.80 -3.837203629e+00 -3.837203629e+00 2.82 -3.860591054e+00 -3.860591054e+00 2.84 -3.873524029e+00 -3.873524029e+00 2.86 -3.876708029e+00 -3.876708029e+00 2.88 -3.870582401e+00 -3.870582401e+00 2.90 -3.855653974e+00 -3.855653974e+00 2.92 -3.832519368e+00 -3.832519368e+00 2.94 -3.801860578e+00 -3.801860578e+00 2.96 -3.764432539e+00 -3.764432539e+00 2.98 -3.721042092e+00 -3.721042092e+00 3.00 -3.672519310e+00 -3.672519310e+00 3.02 -3.619693548e+00 -3.619693548e+00 3.04 -3.563367366e+00 -3.563367366e+00 3.06 -3.504267453e+00 -3.504267453e+00 3.08 -3.443014494e+00 -3.443014494e+00 3.10 -3.380111045e+00 -3.380111045e+00 3.12 -3.315935506e+00 -3.315935506e+00 3.14 -3.250750796e+00 -3.250750796e+00 3.16 -3.184709496e+00 -3.184709496e+00 3.18 -3.117874374e+00 -3.117874374e+00 3.20 -3.050235200e+00 -3.050235200e+00 3.22 -2.981727317e+00 -2.981727317e+00 3.24 -2.912250101e+00 -2.912250101e+00 3.26 -2.841710543e+00 -2.841710543e+00 3.28 -2.770021436e+00 -2.770021436e+00 3.30 -2.696978890e+00 -2.696978890e+00 3.32 -2.622420752e+00 -2.622420752e+00 3.34 -2.546254634e+00 -2.546254634e+00 3.36 -2.468469232e+00 -2.468469232e+00 3.38 -2.389099851e+00 -2.389099851e+00 3.40 -2.308259130e+00 -2.308259130e+00 3.42 -2.226175397e+00 -2.226175397e+00 3.44 -2.143184816e+00 -2.143184816e+00 3.46 -2.059716103e+00 -2.059716103e+00 3.48 -1.976266846e+00 -1.976266846e+00 3.50 -1.893374531e+00 -1.893374531e+00 3.52 -1.811585010e+00 -1.811585010e+00 3.54 -1.731421674e+00 -1.731421674e+00 3.56 -1.653358428e+00 -1.653358428e+00 3.58 -1.577798881e+00 -1.577798881e+00 3.60 -1.505063123e+00 -1.505063123e+00 3.62 -1.435382384e+00 -1.435382384e+00 3.64 -1.368900840e+00 -1.368900840e+00 3.66 -1.305683153e+00 -1.305683153e+00 3.68 -1.245725934e+00 -1.245725934e+00 3.70 -1.188971297e+00 -1.188971297e+00 3.72 -1.135320848e+00 -1.135320848e+00 3.74 -1.084648817e+00 -1.084648817e+00 3.76 -1.036813433e+00 -1.036813433e+00 3.78 -9.916660471e-01 -9.916660471e-01 3.80 -9.490578087e-01 -9.490578087e-01 3.82 -9.088440013e-01 -9.088440013e-01 3.84 -8.708862910e-01 -8.708862910e-01 3.86 -8.350533003e-01 -8.350533003e-01 3.88 -8.012199962e-01 -8.012199962e-01 3.90 -7.692664184e-01 -7.692664184e-01 3.92 -7.390758804e-01 -7.390758804e-01 3.94 -7.105352859e-01 -7.105352859e-01 3.96 -6.835320318e-01 -6.835320318e-01 3.98 -6.579555654e-01 -6.579555654e-01 4.00 -6.336973349e-01 -6.336973349e-01 4.02 -6.106515570e-01 -6.106515570e-01 4.04 -5.887161445e-01 -5.887161445e-01 4.06 -5.677936481e-01 -5.677936481e-01 4.08 -5.477920593e-01 -5.477920593e-01 4.10 -5.286240112e-01 -5.286240112e-01 4.12 -5.102129047e-01 -5.102129047e-01 4.14 -4.924838927e-01 -4.924838927e-01 4.16 -4.753697874e-01 -4.753697874e-01 4.18 -4.588114098e-01 -4.588114098e-01 4.20 -4.427559360e-01 -4.427559360e-01 4.22 -4.271567612e-01 -4.271567612e-01 4.24 -4.119737063e-01 -4.119737063e-01 4.26 -3.971732170e-01 -3.971732170e-01 4.28 -3.827285691e-01 -3.827285691e-01 4.30 -3.686200597e-01 -3.686200597e-01 4.32 -3.548351296e-01 -3.548351296e-01 4.34 -3.413683472e-01 -3.413683472e-01 4.36 -3.282211679e-01 -3.282211679e-01 4.38 -3.154013970e-01 -3.154013970e-01 4.40 -3.029223030e-01 -3.029223030e-01 4.42 -2.908013729e-01 -2.908013729e-01 4.44 -2.790587525e-01 -2.790587525e-01 4.46 -2.677154746e-01 -2.677154746e-01 4.48 -2.567916179e-01 -2.567916179e-01 4.50 -2.463045707e-01 -2.463045707e-01 4.52 -2.362675644e-01 -2.362675644e-01 4.54 -2.266886083e-01 -2.266886083e-01 4.56 -2.175699033e-01 -2.175699033e-01 4.58 -2.089077440e-01 -2.089077440e-01 4.60 -2.006928588e-01 -2.006928588e-01 4.62 -1.929110930e-01 -1.929110930e-01 4.64 -1.855443169e-01 -1.855443169e-01 4.66 -1.785714371e-01 -1.785714371e-01 4.68 -1.719694087e-01 -1.719694087e-01 4.70 -1.657141663e-01 -1.657141663e-01 4.72 -1.597814244e-01 -1.597814244e-01 4.74 -1.541473209e-01 -1.541473209e-01 4.76 -1.487889019e-01 -1.487889019e-01 4.78 -1.436844568e-01 -1.436844568e-01 4.80 -1.388129306e-01 -1.388129306e-01 4.82 -1.341573362e-01 -1.341573362e-01 4.84 -1.296996012e-01 -1.296996012e-01 4.86 -1.254241425e-01 -1.254241425e-01 4.88 -1.213168455e-01 -1.213168455e-01 4.90 -1.173649676e-01 -1.173649676e-01 4.92 -1.135570313e-01 -1.135570313e-01 4.94 -1.098827151e-01 -1.098827151e-01 4.96 -1.063327492e-01 -1.063327492e-01 4.98 -1.028988200e-01 -1.028988200e-01 5.00 -9.957348488e-02 -9.957348488e-02 5.02 -9.635010057e-02 -9.635010057e-02 5.04 -9.322276268e-02 -9.322276268e-02 5.06 -9.018625711e-02 -9.018625711e-02 5.08 -8.723602062e-02 -8.723602062e-02 5.10 -8.436810889e-02 -8.436810889e-02 5.12 -8.157916869e-02 -8.157916869e-02 5.14 -7.886641078e-02 -7.886641078e-02 5.16 -7.622758017e-02 -7.622758017e-02 5.18 -7.366091998e-02 -7.366091998e-02 5.20 -7.116512604e-02 -7.116512604e-02 5.22 -6.873928994e-02 -6.873928994e-02 5.24 -6.638282958e-02 -6.638282958e-02 5.26 -6.409539640e-02 -6.409539640e-02 5.28 -6.187674019e-02 -6.187674019e-02 5.30 -5.972675252e-02 -5.972675252e-02 5.32 -5.764529801e-02 -5.764529801e-02 5.34 -5.563210513e-02 -5.563210513e-02 5.36 -5.368668571e-02 -5.368668571e-02 5.38 -5.180827231e-02 -5.180827231e-02 5.40 -4.999577434e-02 -4.999577434e-02 5.42 -4.824775624e-02 -4.824775624e-02 5.44 -4.656243710e-02 -4.656243710e-02 5.46 -4.493770922e-02 -4.493770922e-02 5.48 -4.337117219e-02 -4.337117219e-02 5.50 -4.186017803e-02 -4.186017803e-02 5.52 -4.040188296e-02 -4.040188296e-02 5.54 -3.899330166e-02 -3.899330166e-02 5.56 -3.763136039e-02 -3.763136039e-02 5.58 -3.631294669e-02 -3.631294669e-02 5.60 -3.503495390e-02 -3.503495390e-02 5.62 -3.379431986e-02 -3.379431986e-02 5.64 -3.258805846e-02 -3.258805846e-02 5.66 -3.141328761e-02 -3.141328761e-02 5.68 -3.026725209e-02 -3.026725209e-02 5.70 -2.914734288e-02 -2.914734288e-02 5.72 -2.805111431e-02 -2.805111431e-02 5.74 -2.697630000e-02 -2.697630000e-02 5.76 -2.592082860e-02 -2.592082860e-02 5.78 -2.488283992e-02 -2.488283992e-02 5.80 -2.386070201e-02 -2.386070201e-02 5.82 -2.285302915e-02 -2.285302915e-02 5.84 -2.185870058e-02 -2.185870058e-02 5.86 -2.087687939e-02 -2.087687939e-02 5.88 -1.990703051e-02 -1.990703051e-02 5.90 -1.894893663e-02 -1.894893663e-02 5.92 -1.800271031e-02 -1.800271031e-02 5.94 -1.706878429e-02 -1.706878429e-02 5.96 -1.614785204e-02 -1.614785204e-02 5.98 -1.524103175e-02 -1.524103175e-02 6.00 -1.434976395e-02 -1.434976395e-02