# 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 = NiPtTi2 # 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 2.668863085e+02 2.668863085e+02 1.30 2.478276755e+02 2.478276755e+02 1.32 2.301214153e+02 2.301214153e+02 1.34 2.136724544e+02 2.136724544e+02 1.36 1.983924120e+02 1.983924120e+02 1.38 1.841944148e+02 1.841944148e+02 1.40 1.709927790e+02 1.709927790e+02 1.42 1.587055965e+02 1.587055965e+02 1.44 1.472574190e+02 1.472574190e+02 1.46 1.365808945e+02 1.365808945e+02 1.48 1.266172579e+02 1.266172579e+02 1.50 1.173154696e+02 1.173154696e+02 1.52 1.086301349e+02 1.086301349e+02 1.54 1.005191972e+02 1.005191972e+02 1.56 9.294234871e+01 9.294234871e+01 1.58 8.586031397e+01 8.586031397e+01 1.60 7.923487459e+01 7.923487459e+01 1.62 7.302955311e+01 7.302955311e+01 1.64 6.721071719e+01 6.721071719e+01 1.66 6.174871330e+01 6.174871330e+01 1.68 5.661872353e+01 5.661872353e+01 1.70 5.180106611e+01 5.180106611e+01 1.72 4.728054266e+01 4.728054266e+01 1.74 4.304461737e+01 4.304461737e+01 1.76 3.908098744e+01 3.908098744e+01 1.78 3.537580706e+01 3.537580706e+01 1.80 3.191415810e+01 3.191415810e+01 1.82 2.871770124e+01 2.871770124e+01 1.84 2.578549852e+01 2.578549852e+01 1.86 2.309354018e+01 2.309354018e+01 1.88 2.062044463e+01 2.062044463e+01 1.90 1.834717663e+01 1.834717663e+01 1.92 1.625673592e+01 1.625673592e+01 1.94 1.433390865e+01 1.433390865e+01 1.96 1.256506003e+01 1.256506003e+01 1.98 1.093793946e+01 1.093793946e+01 2.00 9.441501134e+00 9.441501134e+00 2.02 8.065742340e+00 8.065742340e+00 2.04 6.801558432e+00 6.801558432e+00 2.06 5.640624096e+00 5.640624096e+00 2.08 4.575310748e+00 4.575310748e+00 2.10 3.598629568e+00 3.598629568e+00 2.12 2.704172997e+00 2.704172997e+00 2.14 1.886042853e+00 1.886042853e+00 2.16 1.138776704e+00 1.138776704e+00 2.18 4.572900826e-01 4.572900826e-01 2.20 -1.631621711e-01 -1.631621711e-01 2.22 -7.270160440e-01 -7.270160440e-01 2.24 -1.238427558e+00 -1.238427558e+00 2.26 -1.701300429e+00 -1.701300429e+00 2.28 -2.119307816e+00 -2.119307816e+00 2.30 -2.495906073e+00 -2.495906073e+00 2.32 -2.834344008e+00 -2.834344008e+00 2.34 -3.137666295e+00 -3.137666295e+00 2.36 -3.408711152e+00 -3.408711152e+00 2.38 -3.650104775e+00 -3.650104775e+00 2.40 -3.864261093e+00 -3.864261093e+00 2.42 -4.053393929e+00 -4.053393929e+00 2.44 -4.219541429e+00 -4.219541429e+00 2.46 -4.364597533e+00 -4.364597533e+00 2.48 -4.490342887e+00 -4.490342887e+00 2.50 -4.598468896e+00 -4.598468896e+00 2.52 -4.690589224e+00 -4.690589224e+00 2.54 -4.768234711e+00 -4.768234711e+00 2.56 -4.832836071e+00 -4.832836071e+00 2.58 -4.886552377e+00 -4.886552377e+00 2.60 -4.930926966e+00 -4.930926966e+00 2.62 -4.966596964e+00 -4.966596964e+00 2.64 -4.994099929e+00 -4.994099929e+00 2.66 -5.013926634e+00 -5.013926634e+00 2.68 -5.026549903e+00 -5.026549903e+00 2.70 -5.032247709e+00 -5.032247709e+00 2.72 -5.031302452e+00 -5.031302452e+00 2.74 -5.024017551e+00 -5.024017551e+00 2.76 -5.010710105e+00 -5.010710105e+00 2.78 -4.991703218e+00 -4.991703218e+00 2.80 -4.967315994e+00 -4.967315994e+00 2.82 -4.937856386e+00 -4.937856386e+00 2.84 -4.903565114e+00 -4.903565114e+00 2.86 -4.864554647e+00 -4.864554647e+00 2.88 -4.820962341e+00 -4.820962341e+00 2.90 -4.772971436e+00 -4.772971436e+00 2.92 -4.720753863e+00 -4.720753863e+00 2.94 -4.664534690e+00 -4.664534690e+00 2.96 -4.604627758e+00 -4.604627758e+00 2.98 -4.541423725e+00 -4.541423725e+00 3.00 -4.475370362e+00 -4.475370362e+00 3.02 -4.406945966e+00 -4.406945966e+00 3.04 -4.336628319e+00 -4.336628319e+00 3.06 -4.264863865e+00 -4.264863865e+00 3.08 -4.192041297e+00 -4.192041297e+00 3.10 -4.118475565e+00 -4.118475565e+00 3.12 -4.044403373e+00 -4.044403373e+00 3.14 -3.969990280e+00 -3.969990280e+00 3.16 -3.895344568e+00 -3.895344568e+00 3.18 -3.820535061e+00 -3.820535061e+00 3.20 -3.745607508e+00 -3.745607508e+00 3.22 -3.670597618e+00 -3.670597618e+00 3.24 -3.595539819e+00 -3.595539819e+00 3.26 -3.520472082e+00 -3.520472082e+00 3.28 -3.445437735e+00 -3.445437735e+00 3.30 -3.370485325e+00 -3.370485325e+00 3.32 -3.295667413e+00 -3.295667413e+00 3.34 -3.221039001e+00 -3.221039001e+00 3.36 -3.146656053e+00 -3.146656053e+00 3.38 -3.072574574e+00 -3.072574574e+00 3.40 -2.998870004e+00 -2.998870004e+00 3.42 -2.925652625e+00 -2.925652625e+00 3.44 -2.853026520e+00 -2.853026520e+00 3.46 -2.781087553e+00 -2.781087553e+00 3.48 -2.709926692e+00 -2.709926692e+00 3.50 -2.639632794e+00 -2.639632794e+00 3.52 -2.570294266e+00 -2.570294266e+00 3.54 -2.501999079e+00 -2.501999079e+00 3.56 -2.434832897e+00 -2.434832897e+00 3.58 -2.368875521e+00 -2.368875521e+00 3.60 -2.304196414e+00 -2.304196414e+00 3.62 -2.240850361e+00 -2.240850361e+00 3.64 -2.178874373e+00 -2.178874373e+00 3.66 -2.118286547e+00 -2.118286547e+00 3.68 -2.059087065e+00 -2.059087065e+00 3.70 -2.001260947e+00 -2.001260947e+00 3.72 -1.944781910e+00 -1.944781910e+00 3.74 -1.889616557e+00 -1.889616557e+00 3.76 -1.835728308e+00 -1.835728308e+00 3.78 -1.783080624e+00 -1.783080624e+00 3.80 -1.731639321e+00 -1.731639321e+00 3.82 -1.681373880e+00 -1.681373880e+00 3.84 -1.632257797e+00 -1.632257797e+00 3.86 -1.584268081e+00 -1.584268081e+00 3.88 -1.537384115e+00 -1.537384115e+00 3.90 -1.491586135e+00 -1.491586135e+00 3.92 -1.446853593e+00 -1.446853593e+00 3.94 -1.403164008e+00 -1.403164008e+00 3.96 -1.360491802e+00 -1.360491802e+00 3.98 -1.318808313e+00 -1.318808313e+00 4.00 -1.278082220e+00 -1.278082220e+00 4.02 -1.238280639e+00 -1.238280639e+00 4.04 -1.199370673e+00 -1.199370673e+00 4.06 -1.161321217e+00 -1.161321217e+00 4.08 -1.124104785e+00 -1.124104785e+00 4.10 -1.087699034e+00 -1.087699034e+00 4.12 -1.052088416e+00 -1.052088416e+00 4.14 -1.017264153e+00 -1.017264153e+00 4.16 -9.832246477e-01 -9.832246477e-01 4.18 -9.499745354e-01 -9.499745354e-01 4.20 -9.175231439e-01 -9.175231439e-01 4.22 -8.858823843e-01 -8.858823843e-01 4.24 -8.550643302e-01 -8.550643302e-01 4.26 -8.250788051e-01 -8.250788051e-01 4.28 -7.959313121e-01 -7.959313121e-01 4.30 -7.676215844e-01 -7.676215844e-01 4.32 -7.401429254e-01 -7.401429254e-01 4.34 -7.134823643e-01 -7.134823643e-01 4.36 -6.876215125e-01 -6.876215125e-01 4.38 -6.625378984e-01 -6.625378984e-01 4.40 -6.382064978e-01 -6.382064978e-01 4.42 -6.146011764e-01 -6.146011764e-01 4.44 -5.916958098e-01 -5.916958098e-01 4.46 -5.694649324e-01 -5.694649324e-01 4.48 -5.478838694e-01 -5.478838694e-01 4.50 -5.269284140e-01 -5.269284140e-01 4.52 -5.065741928e-01 -5.065741928e-01 4.54 -4.867959183e-01 -4.867959183e-01 4.56 -4.675667391e-01 -4.675667391e-01 4.58 -4.488578714e-01 -4.488578714e-01 4.60 -4.306386384e-01 -4.306386384e-01 4.62 -4.128769714e-01 -4.128769714e-01 4.64 -3.955403518e-01 -3.955403518e-01 4.66 -3.785971117e-01 -3.785971117e-01 4.68 -3.620179669e-01 -3.620179669e-01 4.70 -3.457776328e-01 -3.457776328e-01 4.72 -3.298563658e-01 -3.298563658e-01 4.74 -3.142412814e-01 -3.142412814e-01 4.76 -2.989273151e-01 -2.989273151e-01 4.78 -2.839177199e-01 -2.839177199e-01 4.80 -2.692239479e-01 -2.692239479e-01 4.82 -2.548653937e-01 -2.548653937e-01 4.84 -2.408677301e-01 -2.408677301e-01 4.86 -2.272616974e-01 -2.272616974e-01 4.88 -2.140810992e-01 -2.140810992e-01 4.90 -2.013607381e-01 -2.013607381e-01 4.92 -1.891343684e-01 -1.891343684e-01 4.94 -1.774328296e-01 -1.774328296e-01 4.96 -1.662824874e-01 -1.662824874e-01 4.98 -1.557040571e-01 -1.557040571e-01 5.00 -1.457118344e-01 -1.457118344e-01 5.02 -1.363133115e-01 -1.363133115e-01 5.04 -1.275091290e-01 -1.275091290e-01 5.06 -1.192933028e-01 -1.192933028e-01 5.08 -1.116536670e-01 -1.116536670e-01 5.10 -1.045724836e-01 -1.045724836e-01 5.12 -9.802717966e-02 -9.802717966e-02 5.14 -9.199117694e-02 -9.199117694e-02 5.16 -8.643477597e-02 -8.643477597e-02 5.18 -8.132606352e-02 -8.132606352e-02 5.20 -7.663180161e-02 -7.663180161e-02 5.22 -7.231825511e-02 -7.231825511e-02 5.24 -6.835149023e-02 -6.835149023e-02 5.26 -6.469893852e-02 -6.469893852e-02 5.28 -6.132969901e-02 -6.132969901e-02 5.30 -5.821440129e-02 -5.821440129e-02 5.32 -5.532552582e-02 -5.532552582e-02 5.34 -5.263758642e-02 -5.263758642e-02 5.36 -5.012720283e-02 -5.012720283e-02 5.38 -4.777309038e-02 -4.777309038e-02 5.40 -4.555599151e-02 -4.555599151e-02 5.42 -4.345857041e-02 -4.345857041e-02 5.44 -4.146528842e-02 -4.146528842e-02 5.46 -3.956227423e-02 -3.956227423e-02 5.48 -3.773719942e-02 -3.773719942e-02 5.50 -3.597916702e-02 -3.597916702e-02 5.52 -3.427861816e-02 -3.427861816e-02 5.54 -3.262725959e-02 -3.262725959e-02 5.56 -3.101801256e-02 -3.101801256e-02 5.58 -2.944498202e-02 -2.944498202e-02 5.60 -2.790344262e-02 -2.790344262e-02 5.62 -2.638983649e-02 -2.638983649e-02 5.64 -2.490177578e-02 -2.490177578e-02 5.66 -2.343804141e-02 -2.343804141e-02 5.68 -2.199856848e-02 -2.199856848e-02 5.70 -2.058440823e-02 -2.058440823e-02 5.72 -1.919765766e-02 -1.919765766e-02 5.74 -1.784134949e-02 -1.784134949e-02 5.76 -1.651929901e-02 -1.651929901e-02 5.78 -1.523590688e-02 -1.523590688e-02 5.80 -1.399593240e-02 -1.399593240e-02 5.82 -1.280423750e-02 -1.280423750e-02 5.84 -1.166552159e-02 -1.166552159e-02 5.86 -1.058406845e-02 -1.058406845e-02 5.88 -9.563521822e-03 -9.563521822e-03 5.90 -8.606706045e-03 -8.606706045e-03 5.92 -7.715611223e-03 -7.715611223e-03 5.94 -6.891369004e-03 -6.891369004e-03 5.96 -6.133672152e-03 -6.133672152e-03 5.98 -5.441298157e-03 -5.441298157e-03 6.00 -4.812234057e-03 -4.812234057e-03