# 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 = MoNi2Pt # 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 2.209873655e+02 2.209873655e+02 1.30 2.043118551e+02 2.043118551e+02 1.32 1.888068613e+02 1.888068613e+02 1.34 1.744131994e+02 1.744131994e+02 1.36 1.610777923e+02 1.610777923e+02 1.38 1.487395011e+02 1.487395011e+02 1.40 1.373240158e+02 1.373240158e+02 1.42 1.267486729e+02 1.267486729e+02 1.44 1.169314991e+02 1.169314991e+02 1.46 1.077991645e+02 1.077991645e+02 1.48 9.929109923e+01 9.929109923e+01 1.50 9.135904942e+01 9.135904942e+01 1.52 8.396316781e+01 8.396316781e+01 1.54 7.706722681e+01 7.706722681e+01 1.56 7.063554087e+01 7.063554087e+01 1.58 6.463235968e+01 6.463235968e+01 1.60 5.902275904e+01 5.902275904e+01 1.62 5.377392907e+01 5.377392907e+01 1.64 4.885638620e+01 4.885638620e+01 1.66 4.424493132e+01 4.424493132e+01 1.68 3.991915317e+01 3.991915317e+01 1.70 3.586338923e+01 3.586338923e+01 1.72 3.206975599e+01 3.206975599e+01 1.74 2.858145276e+01 2.858145276e+01 1.76 2.540169402e+01 2.540169402e+01 1.78 2.250750034e+01 2.250750034e+01 1.80 1.987498714e+01 1.987498714e+01 1.82 1.748037886e+01 1.748037886e+01 1.84 1.530100299e+01 1.530100299e+01 1.86 1.331595686e+01 1.331595686e+01 1.88 1.150639513e+01 1.150639513e+01 1.90 9.855523723e+00 9.855523723e+00 1.92 8.348450313e+00 8.348450313e+00 1.94 6.972018482e+00 6.972018482e+00 1.96 5.714672078e+00 5.714672078e+00 1.98 4.566322599e+00 4.566322599e+00 2.00 3.518170419e+00 3.518170419e+00 2.02 2.562464208e+00 2.562464208e+00 2.04 1.692234808e+00 1.692234808e+00 2.06 9.010615504e-01 9.010615504e-01 2.08 1.829098533e-01 1.829098533e-01 2.10 -4.679532507e-01 -4.679532507e-01 2.12 -1.056979223e+00 -1.056979223e+00 2.14 -1.589313407e+00 -1.589313407e+00 2.16 -2.069747248e+00 -2.069747248e+00 2.18 -2.502670821e+00 -2.502670821e+00 2.20 -2.892046453e+00 -2.892046453e+00 2.22 -3.241413468e+00 -3.241413468e+00 2.24 -3.553920901e+00 -3.553920901e+00 2.26 -3.832378379e+00 -3.832378379e+00 2.28 -4.079317462e+00 -4.079317462e+00 2.30 -4.297059479e+00 -4.297059479e+00 2.32 -4.487783878e+00 -4.487783878e+00 2.34 -4.653583837e+00 -4.653583837e+00 2.36 -4.796493725e+00 -4.796493725e+00 2.38 -4.918482424e+00 -4.918482424e+00 2.40 -5.021423259e+00 -5.021423259e+00 2.42 -5.107014345e+00 -5.107014345e+00 2.44 -5.177366727e+00 -5.177366727e+00 2.46 -5.235054719e+00 -5.235054719e+00 2.48 -5.281101544e+00 -5.281101544e+00 2.50 -5.316444175e+00 -5.316444175e+00 2.52 -5.341981011e+00 -5.341981011e+00 2.54 -5.358565291e+00 -5.358565291e+00 2.56 -5.366985798e+00 -5.366985798e+00 2.58 -5.367927649e+00 -5.367927649e+00 2.60 -5.361835594e+00 -5.361835594e+00 2.62 -5.348996196e+00 -5.348996196e+00 2.64 -5.329628479e+00 -5.329628479e+00 2.66 -5.303907659e+00 -5.303907659e+00 2.68 -5.271993873e+00 -5.271993873e+00 2.70 -5.234058032e+00 -5.234058032e+00 2.72 -5.190299109e+00 -5.190299109e+00 2.74 -5.140949278e+00 -5.140949278e+00 2.76 -5.086267629e+00 -5.086267629e+00 2.78 -5.026510625e+00 -5.026510625e+00 2.80 -4.961783772e+00 -4.961783772e+00 2.82 -4.892141245e+00 -4.892141245e+00 2.84 -4.817684050e+00 -4.817684050e+00 2.86 -4.738564267e+00 -4.738564267e+00 2.88 -4.654996851e+00 -4.654996851e+00 2.90 -4.567275765e+00 -4.567275765e+00 2.92 -4.475788569e+00 -4.475788569e+00 2.94 -4.381023304e+00 -4.381023304e+00 2.96 -4.283562365e+00 -4.283562365e+00 2.98 -4.184060504e+00 -4.184060504e+00 3.00 -4.083207977e+00 -4.083207977e+00 3.02 -3.981684207e+00 -3.981684207e+00 3.04 -3.880110571e+00 -3.880110571e+00 3.06 -3.779038621e+00 -3.779038621e+00 3.08 -3.679165463e+00 -3.679165463e+00 3.10 -3.581080068e+00 -3.581080068e+00 3.12 -3.485075528e+00 -3.485075528e+00 3.14 -3.391218793e+00 -3.391218793e+00 3.16 -3.299422259e+00 -3.299422259e+00 3.18 -3.209505448e+00 -3.209505448e+00 3.20 -3.121243430e+00 -3.121243430e+00 3.22 -3.034402144e+00 -3.034402144e+00 3.24 -2.948762632e+00 -2.948762632e+00 3.26 -2.864136798e+00 -2.864136798e+00 3.28 -2.780377157e+00 -2.780377157e+00 3.30 -2.697382447e+00 -2.697382447e+00 3.32 -2.615100382e+00 -2.615100382e+00 3.34 -2.533528194e+00 -2.533528194e+00 3.36 -2.452711215e+00 -2.452711215e+00 3.38 -2.372739483e+00 -2.372739483e+00 3.40 -2.293742270e+00 -2.293742270e+00 3.42 -2.215880550e+00 -2.215880550e+00 3.44 -2.139337593e+00 -2.139337593e+00 3.46 -2.064308179e+00 -2.064308179e+00 3.48 -1.990987143e+00 -1.990987143e+00 3.50 -1.919558139e+00 -1.919558139e+00 3.52 -1.850183555e+00 -1.850183555e+00 3.54 -1.782996360e+00 -1.782996360e+00 3.56 -1.718094445e+00 -1.718094445e+00 3.58 -1.655537716e+00 -1.655537716e+00 3.60 -1.595347846e+00 -1.595347846e+00 3.62 -1.537510391e+00 -1.537510391e+00 3.64 -1.481978749e+00 -1.481978749e+00 3.66 -1.428679438e+00 -1.428679438e+00 3.68 -1.377518131e+00 -1.377518131e+00 3.70 -1.328385993e+00 -1.328385993e+00 3.72 -1.281165942e+00 -1.281165942e+00 3.74 -1.235738530e+00 -1.235738530e+00 3.76 -1.191987196e+00 -1.191987196e+00 3.78 -1.149802674e+00 -1.149802674e+00 3.80 -1.109086329e+00 -1.109086329e+00 3.82 -1.069752216e+00 -1.069752216e+00 3.84 -1.031727710e+00 -1.031727710e+00 3.86 -9.949526556e-01 -9.949526556e-01 3.88 -9.593771464e-01 -9.593771464e-01 3.90 -9.249582775e-01 -9.249582775e-01 3.92 -8.916563719e-01 -8.916563719e-01 3.94 -8.594313302e-01 -8.594313302e-01 3.96 -8.282397021e-01 -8.282397021e-01 3.98 -7.980329890e-01 -7.980329890e-01 4.00 -7.687573934e-01 -7.687573934e-01 4.02 -7.403549954e-01 -7.403549954e-01 4.04 -7.127660878e-01 -7.127660878e-01 4.06 -6.859322523e-01 -6.859322523e-01 4.08 -6.597996911e-01 -6.597996911e-01 4.10 -6.343223369e-01 -6.343223369e-01 4.12 -6.094643462e-01 -6.094643462e-01 4.14 -5.852016060e-01 -5.852016060e-01 4.16 -5.615221162e-01 -5.615221162e-01 4.18 -5.384251288e-01 -5.384251288e-01 4.20 -5.159191538e-01 -5.159191538e-01 4.22 -4.940190775e-01 -4.940190775e-01 4.24 -4.727427764e-01 -4.727427764e-01 4.26 -4.521076980e-01 -4.521076980e-01 4.28 -4.321278778e-01 -4.321278778e-01 4.30 -4.128117792e-01 -4.128117792e-01 4.32 -3.941611848e-01 -3.941611848e-01 4.34 -3.761711659e-01 -3.761711659e-01 4.36 -3.588309753e-01 -3.588309753e-01 4.38 -3.421255573e-01 -3.421255573e-01 4.40 -3.260373011e-01 -3.260373011e-01 4.42 -3.105476660e-01 -3.105476660e-01 4.44 -2.956383780e-01 -2.956383780e-01 4.46 -2.812920180e-01 -2.812920180e-01 4.48 -2.674919601e-01 -2.674919601e-01 4.50 -2.542217546e-01 -2.542217546e-01 4.52 -2.414641562e-01 -2.414641562e-01 4.54 -2.292000587e-01 -2.292000587e-01 4.56 -2.174075990e-01 -2.174075990e-01 4.58 -2.060616529e-01 -2.060616529e-01 4.60 -1.951338587e-01 -1.951338587e-01 4.62 -1.845932117e-01 -1.845932117e-01 4.64 -1.744071823e-01 -1.744071823e-01 4.66 -1.645432286e-01 -1.645432286e-01 4.68 -1.549705405e-01 -1.549705405e-01 4.70 -1.456618221e-01 -1.456618221e-01 4.72 -1.365949983e-01 -1.365949983e-01 4.74 -1.277553013e-01 -1.277553013e-01 4.76 -1.191341366e-01 -1.191341366e-01 4.78 -1.107310265e-01 -1.107310265e-01 4.80 -1.025537268e-01 -1.025537268e-01 4.82 -9.461714486e-02 -9.461714486e-02 4.84 -8.694204071e-02 -8.694204071e-02 4.86 -7.955329866e-02 -7.955329866e-02 4.88 -7.247790455e-02 -7.247790455e-02 4.90 -6.574280698e-02 -6.574280698e-02 4.92 -5.937285267e-02 -5.937285267e-02 4.94 -5.338897614e-02 -5.338897614e-02 4.96 -4.780678826e-02 -4.780678826e-02 4.98 -4.263565496e-02 -4.263565496e-02 5.00 -3.787829546e-02 -3.787829546e-02 5.02 -3.353087053e-02 -3.353087053e-02 5.04 -2.958348407e-02 -2.958348407e-02 5.06 -2.602099207e-02 -2.602099207e-02 5.08 -2.282400167e-02 -2.282400167e-02 5.10 -1.996994744e-02 -1.996994744e-02 5.12 -1.743415717e-02 -1.743415717e-02 5.14 -1.519083058e-02 -1.519083058e-02 5.16 -1.321382574e-02 -1.321382574e-02 5.18 -1.147710374e-02 -1.147710374e-02 5.20 -9.956198330e-03 -9.956198330e-03 5.22 -8.627961216e-03 -8.627961216e-03 5.24 -7.470725038e-03 -7.470725038e-03 5.26 -6.464498148e-03 -6.464498148e-03 5.28 -5.591052527e-03 -5.591052527e-03 5.30 -4.833931287e-03 -4.833931287e-03 5.32 -4.178398542e-03 -4.178398542e-03 5.34 -3.611350341e-03 -3.611350341e-03 5.36 -3.121201461e-03 -3.121201461e-03 5.38 -2.697759332e-03 -2.697759332e-03 5.40 -2.332093407e-03 -2.332093407e-03 5.42 -2.016405864e-03 -2.016405864e-03 5.44 -1.743907572e-03 -1.743907572e-03 5.46 -1.508701850e-03 -1.508701850e-03 5.48 -1.305677371e-03 -1.305677371e-03 5.50 -1.130410859e-03 -1.130410859e-03 5.52 -9.790795961e-04 -9.790795961e-04 5.54 -8.483834515e-04 -8.483834515e-04 5.56 -7.354758727e-04 -7.354758727e-04 5.58 -6.379031591e-04 -6.379031591e-04 5.60 -5.535512784e-04 -5.535512784e-04 5.62 -4.805994705e-04 -4.805994705e-04 5.64 -4.174799017e-04 -4.174799017e-04 5.66 -3.628426732e-04 -3.628426732e-04 5.68 -3.155255413e-04 -3.155255413e-04 5.70 -2.745277597e-04 -2.745277597e-04 5.72 -2.389875165e-04 -2.389875165e-04 5.74 -2.081624956e-04 -2.081624956e-04 5.76 -1.814131437e-04 -1.814131437e-04 5.78 -1.581882779e-04 -1.581882779e-04 5.80 -1.380127132e-04 -1.380127132e-04 5.82 -1.204766299e-04 -1.204766299e-04 5.84 -1.052264394e-04 -1.052264394e-04 5.86 -9.195693828e-05 -9.195693828e-05 5.88 -8.040456825e-05 -8.040456825e-05 5.90 -7.034162767e-05 -7.034162767e-05 5.92 -6.157129826e-05 -6.157129826e-05 5.94 -5.392337212e-05 -5.392337212e-05 5.96 -4.725057952e-05 -4.725057952e-05 5.98 -4.142543219e-05 -4.142543219e-05 6.00 -3.633750876e-05 -3.633750876e-05