# 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 = AlPd2Pt # 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 2.683466727e+02 2.683466727e+02 1.30 2.497281884e+02 2.497281884e+02 1.32 2.323690311e+02 2.323690311e+02 1.34 2.161777818e+02 2.161777818e+02 1.36 2.010694438e+02 2.010694438e+02 1.38 1.869620270e+02 1.869620270e+02 1.40 1.737783621e+02 1.737783621e+02 1.42 1.614499330e+02 1.614499330e+02 1.44 1.499183883e+02 1.499183883e+02 1.46 1.391335600e+02 1.391335600e+02 1.48 1.290495566e+02 1.290495566e+02 1.50 1.196211967e+02 1.196211967e+02 1.52 1.108023290e+02 1.108023290e+02 1.54 1.025462882e+02 1.025462882e+02 1.56 9.480776653e+01 9.480776653e+01 1.58 8.754495904e+01 8.754495904e+01 1.60 8.072091350e+01 8.072091350e+01 1.62 7.430360311e+01 7.430360311e+01 1.64 6.826506441e+01 6.826506441e+01 1.66 6.258042329e+01 6.258042329e+01 1.68 5.722950335e+01 5.722950335e+01 1.70 5.223309773e+01 5.223309773e+01 1.72 4.762178521e+01 4.762178521e+01 1.74 4.337141191e+01 4.337141191e+01 1.76 3.945431300e+01 3.945431300e+01 1.78 3.584304057e+01 3.584304057e+01 1.80 3.251144489e+01 3.251144489e+01 1.82 2.943546247e+01 2.943546247e+01 1.84 2.659369340e+01 2.659369340e+01 1.86 2.396753812e+01 2.396753812e+01 1.88 2.154096365e+01 2.154096365e+01 1.90 1.930006744e+01 1.930006744e+01 1.92 1.723255991e+01 1.723255991e+01 1.94 1.532723017e+01 1.532723017e+01 1.96 1.357346589e+01 1.357346589e+01 1.98 1.196092617e+01 1.196092617e+01 2.00 1.047943250e+01 1.047943250e+01 2.02 9.119048020e+00 9.119048020e+00 2.04 7.870243928e+00 7.870243928e+00 2.06 6.724053100e+00 6.724053100e+00 2.08 5.672158299e+00 5.672158299e+00 2.10 4.706909948e+00 4.706909948e+00 2.12 3.821296745e+00 3.821296745e+00 2.14 3.008899949e+00 3.008899949e+00 2.16 2.263854437e+00 2.263854437e+00 2.18 1.580824216e+00 1.580824216e+00 2.20 9.549866533e-01 9.549866533e-01 2.22 3.820147265e-01 3.820147265e-01 2.24 -1.419502711e-01 -1.419502711e-01 2.26 -6.203372779e-01 -6.203372779e-01 2.28 -1.056192987e+00 -1.056192987e+00 2.30 -1.452235049e+00 -1.452235049e+00 2.32 -1.810908347e+00 -1.810908347e+00 2.34 -2.134441990e+00 -2.134441990e+00 2.36 -2.424904535e+00 -2.424904535e+00 2.38 -2.684254418e+00 -2.684254418e+00 2.40 -2.914383236e+00 -2.914383236e+00 2.42 -3.117151137e+00 -3.117151137e+00 2.44 -3.294626248e+00 -3.294626248e+00 2.46 -3.449911059e+00 -3.449911059e+00 2.48 -3.584761732e+00 -3.584761732e+00 2.50 -3.700740017e+00 -3.700740017e+00 2.52 -3.799472364e+00 -3.799472364e+00 2.54 -3.882615235e+00 -3.882615235e+00 2.56 -3.951805051e+00 -3.951805051e+00 2.58 -4.008601541e+00 -4.008601541e+00 2.60 -4.054435682e+00 -4.054435682e+00 2.62 -4.090570737e+00 -4.090570737e+00 2.64 -4.118080128e+00 -4.118080128e+00 2.66 -4.137841936e+00 -4.137841936e+00 2.68 -4.150548364e+00 -4.150548364e+00 2.70 -4.156964667e+00 -4.156964667e+00 2.72 -4.157885241e+00 -4.157885241e+00 2.74 -4.153326709e+00 -4.153326709e+00 2.76 -4.143641056e+00 -4.143641056e+00 2.78 -4.129137090e+00 -4.129137090e+00 2.80 -4.109628870e+00 -4.109628870e+00 2.82 -4.085005642e+00 -4.085005642e+00 2.84 -4.055236204e+00 -4.055236204e+00 2.86 -4.020373369e+00 -4.020373369e+00 2.88 -3.980563615e+00 -3.980563615e+00 2.90 -3.936088616e+00 -3.936088616e+00 2.92 -3.887341560e+00 -3.887341560e+00 2.94 -3.834794925e+00 -3.834794925e+00 2.96 -3.778989944e+00 -3.778989944e+00 2.98 -3.720501730e+00 -3.720501730e+00 3.00 -3.659909414e+00 -3.659909414e+00 3.02 -3.597766685e+00 -3.597766685e+00 3.04 -3.534576333e+00 -3.534576333e+00 3.06 -3.470772344e+00 -3.470772344e+00 3.08 -3.406710709e+00 -3.406710709e+00 3.10 -3.342668357e+00 -3.342668357e+00 3.12 -3.278848102e+00 -3.278848102e+00 3.14 -3.215387548e+00 -3.215387548e+00 3.16 -3.152370030e+00 -3.152370030e+00 3.18 -3.089836412e+00 -3.089836412e+00 3.20 -3.027796603e+00 -3.027796603e+00 3.22 -2.966240089e+00 -2.966240089e+00 3.24 -2.905144972e+00 -2.905144972e+00 3.26 -2.844485902e+00 -2.844485902e+00 3.28 -2.784264596e+00 -2.784264596e+00 3.30 -2.724515171e+00 -2.724515171e+00 3.32 -2.665269696e+00 -2.665269696e+00 3.34 -2.606559278e+00 -2.606559278e+00 3.36 -2.548416446e+00 -2.548416446e+00 3.38 -2.490876370e+00 -2.490876370e+00 3.40 -2.433977191e+00 -2.433977191e+00 3.42 -2.377759695e+00 -2.377759695e+00 3.44 -2.322266475e+00 -2.322266475e+00 3.46 -2.267540800e+00 -2.267540800e+00 3.48 -2.213625281e+00 -2.213625281e+00 3.50 -2.160560455e+00 -2.160560455e+00 3.52 -2.108383402e+00 -2.108383402e+00 3.54 -2.057126445e+00 -2.057126445e+00 3.56 -2.006816000e+00 -2.006816000e+00 3.58 -1.957471622e+00 -1.957471622e+00 3.60 -1.909105254e+00 -1.909105254e+00 3.62 -1.861720719e+00 -1.861720719e+00 3.64 -1.815313455e+00 -1.815313455e+00 3.66 -1.769870503e+00 -1.769870503e+00 3.68 -1.725370761e+00 -1.725370761e+00 3.70 -1.681785509e+00 -1.681785509e+00 3.72 -1.639079189e+00 -1.639079189e+00 3.74 -1.597210427e+00 -1.597210427e+00 3.76 -1.556133258e+00 -1.556133258e+00 3.78 -1.515798495e+00 -1.515798495e+00 3.80 -1.476155163e+00 -1.476155163e+00 3.82 -1.437151936e+00 -1.437151936e+00 3.84 -1.398738479e+00 -1.398738479e+00 3.86 -1.360866655e+00 -1.360866655e+00 3.88 -1.323491572e+00 -1.323491572e+00 3.90 -1.286572455e+00 -1.286572455e+00 3.92 -1.250073403e+00 -1.250073403e+00 3.94 -1.213964103e+00 -1.213964103e+00 3.96 -1.178220509e+00 -1.178220509e+00 3.98 -1.142825640e+00 -1.142825640e+00 4.00 -1.107770440e+00 -1.107770440e+00 4.02 -1.073054734e+00 -1.073054734e+00 4.04 -1.038688173e+00 -1.038688173e+00 4.06 -1.004691064e+00 -1.004691064e+00 4.08 -9.710948890e-01 -9.710948890e-01 4.10 -9.379423238e-01 -9.379423238e-01 4.12 -9.052866435e-01 -9.052866435e-01 4.14 -8.731902099e-01 -8.731902099e-01 4.16 -8.417222503e-01 -8.417222503e-01 4.18 -8.109558074e-01 -8.109558074e-01 4.20 -7.809641222e-01 -7.809641222e-01 4.22 -7.518167134e-01 -7.518167134e-01 4.24 -7.235754913e-01 -7.235754913e-01 4.26 -6.962912519e-01 -6.962912519e-01 4.28 -6.700008569e-01 -6.700008569e-01 4.30 -6.447253201e-01 -6.447253201e-01 4.32 -6.204689104e-01 -6.204689104e-01 4.34 -5.972192610e-01 -5.972192610e-01 4.36 -5.749483782e-01 -5.749483782e-01 4.38 -5.536143658e-01 -5.536143658e-01 4.40 -5.331636459e-01 -5.331636459e-01 4.42 -5.135334542e-01 -5.135334542e-01 4.44 -4.946544082e-01 -4.946544082e-01 4.46 -4.764529904e-01 -4.764529904e-01 4.48 -4.588538353e-01 -4.588538353e-01 4.50 -4.417817608e-01 -4.417817608e-01 4.52 -4.251635264e-01 -4.251635264e-01 4.54 -4.089293340e-01 -4.089293340e-01 4.56 -3.930141105e-01 -3.930141105e-01 4.58 -3.773586170e-01 -3.773586170e-01 4.60 -3.619104276e-01 -3.619104276e-01 4.62 -3.466248095e-01 -3.466248095e-01 4.64 -3.314655156e-01 -3.314655156e-01 4.66 -3.164054816e-01 -3.164054816e-01 4.68 -3.014273969e-01 -3.014273969e-01 4.70 -2.865241025e-01 -2.865241025e-01 4.72 -2.716987599e-01 -2.716987599e-01 4.74 -2.569647328e-01 -2.569647328e-01 4.76 -2.423451363e-01 -2.423451363e-01 4.78 -2.278720235e-01 -2.278720235e-01 4.80 -2.135852073e-01 -2.135852073e-01 4.82 -1.995307838e-01 -1.995307838e-01 4.84 -1.857593255e-01 -1.857593255e-01 4.86 -1.723239659e-01 -1.723239659e-01 4.88 -1.592783764e-01 -1.592783764e-01 4.90 -1.466747964e-01 -1.466747964e-01 4.92 -1.345621946e-01 -1.345621946e-01 4.94 -1.229846566e-01 -1.229846566e-01 4.96 -1.119800574e-01 -1.119800574e-01 4.98 -1.015790687e-01 -1.015790687e-01 5.00 -9.180447795e-02 -9.180447795e-02 5.02 -8.267083658e-02 -8.267083658e-02 5.04 -7.418453794e-02 -7.418453794e-02 5.06 -6.634415864e-02 -6.634415864e-02 5.08 -5.914000809e-02 -5.914000809e-02 5.10 -5.255563884e-02 -5.255563884e-02 5.12 -4.656870914e-02 -4.656870914e-02 5.14 -4.115191548e-02 -4.115191548e-02 5.16 -3.627401780e-02 -3.627401780e-02 5.18 -3.190089041e-02 -3.190089041e-02 5.20 -2.799654972e-02 -2.799654972e-02 5.22 -2.452412878e-02 -2.452412878e-02 5.24 -2.144674112e-02 -2.144674112e-02 5.26 -1.872821492e-02 -1.872821492e-02 5.28 -1.633366649e-02 -1.633366649e-02 5.30 -1.422995342e-02 -1.422995342e-02 5.32 -1.238596584e-02 -1.238596584e-02 5.34 -1.077269310e-02 -1.077269310e-02 5.36 -9.363802688e-03 -9.363802688e-03 5.38 -8.135334844e-03 -8.135334844e-03 5.40 -7.065602827e-03 -7.065602827e-03 5.42 -6.135121458e-03 -6.135121458e-03 5.44 -5.326493411e-03 -5.326493411e-03 5.46 -4.624268709e-03 -4.624268709e-03 5.48 -4.014789521e-03 -4.014789521e-03 5.50 -3.486029400e-03 -3.486029400e-03 5.52 -3.027433595e-03 -3.027433595e-03 5.54 -2.629765075e-03 -2.629765075e-03 5.56 -2.284959277e-03 -2.284959277e-03 5.58 -1.985989387e-03 -1.985989387e-03 5.60 -1.726743048e-03 -1.726743048e-03 5.62 -1.501910723e-03 -1.501910723e-03 5.64 -1.306885480e-03 -1.306885480e-03 5.66 -1.137673679e-03 -1.137673679e-03 5.68 -9.908158414e-04 -9.908158414e-04 5.70 -8.633168730e-04 -8.633168730e-04 5.72 -7.525848016e-04 -7.525848016e-04 5.74 -6.563771595e-04 -6.563771595e-04 5.76 -5.727541960e-04 -5.727541960e-04 5.78 -5.000381449e-04 -5.000381449e-04 5.80 -4.367778325e-04 -4.367778325e-04 5.82 -3.817179767e-04 -3.817179767e-04 5.84 -3.337725887e-04 -3.337725887e-04 5.86 -2.920019553e-04 -2.920019553e-04 5.88 -2.555927365e-04 -2.555927365e-04 5.90 -2.238407677e-04 -2.238407677e-04 5.92 -1.961362080e-04 -1.961362080e-04 5.94 -1.719507171e-04 -1.719507171e-04 5.96 -1.508263885e-04 -1.508263885e-04 5.98 -1.323661992e-04 -1.323661992e-04 6.00 -1.162257679e-04 -1.162257679e-04