# 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 = CuTaW2 # 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 3.380617911e+02 3.380617911e+02 1.30 3.118609052e+02 3.118609052e+02 1.32 2.877169677e+02 2.877169677e+02 1.34 2.654517913e+02 2.654517913e+02 1.36 2.448995073e+02 2.448995073e+02 1.38 2.259076002e+02 2.259076002e+02 1.40 2.083390112e+02 2.083390112e+02 1.42 1.920732666e+02 1.920732666e+02 1.44 1.770051300e+02 1.770051300e+02 1.46 1.630412195e+02 1.630412195e+02 1.48 1.500964415e+02 1.500964415e+02 1.50 1.380919337e+02 1.380919337e+02 1.52 1.269549119e+02 1.269549119e+02 1.54 1.166195073e+02 1.166195073e+02 1.56 1.070273361e+02 1.070273361e+02 1.58 9.812716848e+01 9.812716848e+01 1.60 8.987381990e+01 8.987381990e+01 1.62 8.222669399e+01 8.222669399e+01 1.64 7.514834428e+01 7.514834428e+01 1.66 6.860329870e+01 6.860329870e+01 1.68 6.255726775e+01 6.255726775e+01 1.70 5.697671790e+01 5.697671790e+01 1.72 5.182870085e+01 5.182870085e+01 1.74 4.708084879e+01 4.708084879e+01 1.76 4.270152879e+01 4.270152879e+01 1.78 3.866019764e+01 3.866019764e+01 1.80 3.492795027e+01 3.492795027e+01 1.82 3.147814289e+01 3.147814289e+01 1.84 2.828689408e+01 2.828689408e+01 1.86 2.533329021e+01 2.533329021e+01 1.88 2.259922957e+01 2.259922957e+01 1.90 2.006938620e+01 2.006938620e+01 1.92 1.773368669e+01 1.773368669e+01 1.94 1.558122971e+01 1.558122971e+01 1.96 1.359931006e+01 1.359931006e+01 1.98 1.177578240e+01 1.177578240e+01 2.00 1.009904659e+01 1.009904659e+01 2.02 8.558000788e+00 8.558000788e+00 2.04 7.142067456e+00 7.142067456e+00 2.06 5.841233392e+00 5.841233392e+00 2.08 4.646069773e+00 4.646069773e+00 2.10 3.547739196e+00 3.547739196e+00 2.12 2.538011902e+00 2.538011902e+00 2.14 1.609306321e+00 1.609306321e+00 2.16 7.547466697e-01 7.547466697e-01 2.18 -3.178981537e-02 -3.178981537e-02 2.20 -7.556670893e-01 -7.556670893e-01 2.22 -1.421543265e+00 -1.421543265e+00 2.24 -2.033478175e+00 -2.033478175e+00 2.26 -2.595073960e+00 -2.595073960e+00 2.28 -3.109619512e+00 -3.109619512e+00 2.30 -3.580211119e+00 -3.580211119e+00 2.32 -4.009829655e+00 -4.009829655e+00 2.34 -4.401367303e+00 -4.401367303e+00 2.36 -4.757611398e+00 -4.757611398e+00 2.38 -5.081204587e+00 -5.081204587e+00 2.40 -5.374603349e+00 -5.374603349e+00 2.42 -5.640050651e+00 -5.640050651e+00 2.44 -5.879567999e+00 -5.879567999e+00 2.46 -6.094963818e+00 -6.094963818e+00 2.48 -6.287851594e+00 -6.287851594e+00 2.50 -6.459671698e+00 -6.459671698e+00 2.52 -6.611712961e+00 -6.611712961e+00 2.54 -6.745078732e+00 -6.745078732e+00 2.56 -6.860704666e+00 -6.860704666e+00 2.58 -6.959669162e+00 -6.959669162e+00 2.60 -7.042966515e+00 -7.042966515e+00 2.62 -7.111508878e+00 -7.111508878e+00 2.64 -7.166077433e+00 -7.166077433e+00 2.66 -7.207477196e+00 -7.207477196e+00 2.68 -7.236574182e+00 -7.236574182e+00 2.70 -7.254196961e+00 -7.254196961e+00 2.72 -7.260864070e+00 -7.260864070e+00 2.74 -7.256745173e+00 -7.256745173e+00 2.76 -7.242048095e+00 -7.242048095e+00 2.78 -7.217026919e+00 -7.217026919e+00 2.80 -7.181958249e+00 -7.181958249e+00 2.82 -7.137018067e+00 -7.137018067e+00 2.84 -7.082343260e+00 -7.082343260e+00 2.86 -7.018143674e+00 -7.018143674e+00 2.88 -6.944711559e+00 -6.944711559e+00 2.90 -6.862430786e+00 -6.862430786e+00 2.92 -6.771784918e+00 -6.771784918e+00 2.94 -6.673360628e+00 -6.673360628e+00 2.96 -6.567843489e+00 -6.567843489e+00 2.98 -6.456004132e+00 -6.456004132e+00 3.00 -6.338674497e+00 -6.338674497e+00 3.02 -6.216908862e+00 -6.216908862e+00 3.04 -6.091534460e+00 -6.091534460e+00 3.06 -5.963081717e+00 -5.963081717e+00 3.08 -5.832022924e+00 -5.832022924e+00 3.10 -5.698737431e+00 -5.698737431e+00 3.12 -5.563489266e+00 -5.563489266e+00 3.14 -5.426418358e+00 -5.426418358e+00 3.16 -5.287561262e+00 -5.287561262e+00 3.18 -5.146901701e+00 -5.146901701e+00 3.20 -5.004351831e+00 -5.004351831e+00 3.22 -4.859771716e+00 -4.859771716e+00 3.24 -4.713002818e+00 -4.713002818e+00 3.26 -4.563901863e+00 -4.563901863e+00 3.28 -4.412373126e+00 -4.412373126e+00 3.30 -4.258397401e+00 -4.258397401e+00 3.32 -4.102056134e+00 -4.102056134e+00 3.34 -3.943549297e+00 -3.943549297e+00 3.36 -3.783205757e+00 -3.783205757e+00 3.38 -3.621485145e+00 -3.621485145e+00 3.40 -3.458970603e+00 -3.458970603e+00 3.42 -3.296352305e+00 -3.296352305e+00 3.44 -3.134402381e+00 -3.134402381e+00 3.46 -2.973942645e+00 -2.973942645e+00 3.48 -2.815807419e+00 -2.815807419e+00 3.50 -2.660804445e+00 -2.660804445e+00 3.52 -2.509677372e+00 -2.509677372e+00 3.54 -2.363073263e+00 -2.363073263e+00 3.56 -2.221518122e+00 -2.221518122e+00 3.58 -2.085402482e+00 -2.085402482e+00 3.60 -1.954977873e+00 -1.954977873e+00 3.62 -1.830363703e+00 -1.830363703e+00 3.64 -1.711562988e+00 -1.711562988e+00 3.66 -1.598484534e+00 -1.598484534e+00 3.68 -1.490968823e+00 -1.490968823e+00 3.70 -1.388814775e+00 -1.388814775e+00 3.72 -1.291804887e+00 -1.291804887e+00 3.74 -1.199726663e+00 -1.199726663e+00 3.76 -1.112388890e+00 -1.112388890e+00 3.78 -1.029631910e+00 -1.029631910e+00 3.80 -9.513316864e-01 -9.513316864e-01 3.82 -8.773980824e-01 -8.773980824e-01 3.84 -8.077682830e-01 -8.077682830e-01 3.86 -7.423967662e-01 -7.423967662e-01 3.88 -6.812434654e-01 -6.812434654e-01 3.90 -6.242618353e-01 -6.242618353e-01 3.92 -5.713883530e-01 -5.713883530e-01 3.94 -5.225346079e-01 -5.225346079e-01 3.96 -4.775826297e-01 -4.775826297e-01 3.98 -4.363835704e-01 -4.363835704e-01 4.00 -3.987594023e-01 -3.987594023e-01 4.02 -3.645069760e-01 -3.645069760e-01 4.04 -3.334036356e-01 -3.334036356e-01 4.06 -3.052135801e-01 -3.052135801e-01 4.08 -2.796943179e-01 -2.796943179e-01 4.10 -2.566026688e-01 -2.566026688e-01 4.12 -2.356998102e-01 -2.356998102e-01 4.14 -2.167559250e-01 -2.167559250e-01 4.16 -1.995533154e-01 -1.995533154e-01 4.18 -1.838886897e-01 -1.838886897e-01 4.20 -1.695753536e-01 -1.695753536e-01 4.22 -1.564437403e-01 -1.564437403e-01 4.24 -1.443420048e-01 -1.443420048e-01 4.26 -1.331362594e-01 -1.331362594e-01 4.28 -1.227105098e-01 -1.227105098e-01 4.30 -1.129663518e-01 -1.129663518e-01 4.32 -1.038224420e-01 -1.038224420e-01 4.34 -9.521372738e-02 -9.521372738e-02 4.36 -8.709039166e-02 -8.709039166e-02 4.38 -7.941647520e-02 -7.941647520e-02 4.40 -7.216814233e-02 -7.216814233e-02 4.42 -6.533160575e-02 -6.533160575e-02 4.44 -5.890076968e-02 -5.890076968e-02 4.46 -5.287470773e-02 -5.287470773e-02 4.48 -4.725513673e-02 -4.725513673e-02 4.50 -4.204406971e-02 -4.204406971e-02 4.52 -3.724182312e-02 -3.724182312e-02 4.54 -3.284551480e-02 -3.284551480e-02 4.56 -2.884812449e-02 -2.884812449e-02 4.58 -2.523812309e-02 -2.523812309e-02 4.60 -2.199960878e-02 -2.199960878e-02 4.62 -1.911283879e-02 -1.911283879e-02 4.64 -1.655480073e-02 -1.655480073e-02 4.66 -1.430038884e-02 -1.430038884e-02 4.68 -1.232386443e-02 -1.232386443e-02 4.70 -1.059903603e-02 -1.059903603e-02 4.72 -9.100051036e-03 -9.100051036e-03 4.74 -7.802031889e-03 -7.802031889e-03 4.76 -6.681536507e-03 -6.681536507e-03 4.78 -5.716858471e-03 -5.716858471e-03 4.80 -4.888190933e-03 -4.888190933e-03 4.82 -4.177682165e-03 -4.177682165e-03 4.84 -3.569408276e-03 -3.569408276e-03 4.86 -3.049289057e-03 -3.049289057e-03 4.88 -2.604965783e-03 -2.604965783e-03 4.90 -2.225657638e-03 -2.225657638e-03 4.92 -1.902008864e-03 -1.902008864e-03 4.94 -1.625935434e-03 -1.625935434e-03 4.96 -1.390477216e-03 -1.390477216e-03 4.98 -1.189659445e-03 -1.189659445e-03 5.00 -1.018365628e-03 -1.018365628e-03 5.02 -8.722228327e-04 -8.722228327e-04 5.04 -7.474994613e-04 -7.474994613e-04 5.06 -6.410150829e-04 -6.410150829e-04 5.08 -5.500615431e-04 -5.500615431e-04 5.10 -4.723343991e-04 -4.723343991e-04 5.12 -4.058736470e-04 -4.058736470e-04 5.14 -3.490127059e-04 -3.490127059e-04 5.16 -3.003346635e-04 -3.003346635e-04 5.18 -2.586348577e-04 -2.586348577e-04 5.20 -2.228889500e-04 -2.228889500e-04 5.22 -1.922257346e-04 -1.922257346e-04 5.24 -1.659040149e-04 -1.659040149e-04 5.26 -1.432929605e-04 -1.432929605e-04 5.28 -1.238554346e-04 -1.238554346e-04 5.30 -1.071338513e-04 -1.071338513e-04 5.32 -9.273818358e-05 -9.273818358e-05 5.34 -8.033579717e-05 -8.033579717e-05 5.36 -6.964283276e-05 -6.964283276e-05 5.38 -6.041690091e-05 -6.041690091e-05 5.40 -5.245088813e-05 -5.245088813e-05 5.42 -4.556770435e-05 -4.556770435e-05 5.44 -3.961582692e-05 -3.961582692e-05 5.46 -3.446551917e-05 -3.446551917e-05 5.48 -3.000561970e-05 -3.000561970e-05 5.50 -2.614081520e-05 -2.614081520e-05 5.52 -2.278932251e-05 -2.278932251e-05 5.54 -1.988091762e-05 -1.988091762e-05 5.56 -1.735525846e-05 -1.735525846e-05 5.58 -1.516045703e-05 -1.516045703e-05 5.60 -1.325186282e-05 -1.325186282e-05 5.62 -1.159102576e-05 -1.159102576e-05 5.64 -1.014481149e-05 -1.014481149e-05 5.66 -8.884646143e-06 -8.884646143e-06 5.68 -7.785871163e-06 -7.785871163e-06 5.70 -6.827191844e-06 -6.827191844e-06 5.72 -5.990205554e-06 -5.990205554e-06 5.74 -5.258997899e-06 -5.258997899e-06 5.76 -4.619796786e-06 -4.619796786e-06 5.78 -4.060675873e-06 -4.060675873e-06 5.80 -3.571300182e-06 -3.571300182e-06 5.82 -3.142707727e-06 -3.142707727e-06 5.84 -2.767121926e-06 -2.767121926e-06 5.86 -2.437790335e-06 -2.437790335e-06 5.88 -2.148845937e-06 -2.148845937e-06 5.90 -1.895187721e-06 -1.895187721e-06 5.92 -1.672377823e-06 -1.672377823e-06 5.94 -1.476552851e-06 -1.476552851e-06 5.96 -1.304347402e-06 -1.304347402e-06 5.98 -1.152828038e-06 -1.152828038e-06 6.00 -1.019436262e-06 -1.019436262e-06