# 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 = AgCoMo2 # 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 2.590001819e+02 2.590001819e+02 1.30 2.392448289e+02 2.392448289e+02 1.32 2.210079620e+02 2.210079620e+02 1.34 2.041592633e+02 2.041592633e+02 1.36 1.885786629e+02 1.885786629e+02 1.38 1.741569369e+02 1.741569369e+02 1.40 1.607962444e+02 1.607962444e+02 1.42 1.484098413e+02 1.484098413e+02 1.44 1.369207983e+02 1.369207983e+02 1.46 1.262603271e+02 1.262603271e+02 1.48 1.163664910e+02 1.163664910e+02 1.50 1.071834642e+02 1.071834642e+02 1.52 9.866094598e+01 9.866094598e+01 1.54 9.075344188e+01 9.075344188e+01 1.56 8.341945719e+01 8.341945719e+01 1.58 7.662070954e+01 7.662070954e+01 1.60 7.032139791e+01 7.032139791e+01 1.62 6.448757301e+01 6.448757301e+01 1.64 5.908668497e+01 5.908668497e+01 1.66 5.408737549e+01 5.408737549e+01 1.68 4.945952760e+01 4.945952760e+01 1.70 4.517448565e+01 4.517448565e+01 1.72 4.120536116e+01 4.120536116e+01 1.74 3.753091476e+01 3.753091476e+01 1.76 3.412967570e+01 3.412967570e+01 1.78 3.098129098e+01 3.098129098e+01 1.80 2.806741136e+01 2.806741136e+01 1.82 2.536998121e+01 2.536998121e+01 1.84 2.287292056e+01 2.287292056e+01 1.86 2.056200162e+01 2.056200162e+01 1.88 1.842459967e+01 1.842459967e+01 1.90 1.644935676e+01 1.644935676e+01 1.92 1.462582577e+01 1.462582577e+01 1.94 1.294417252e+01 1.294417252e+01 1.96 1.139498734e+01 1.139498734e+01 1.98 9.969208187e+00 9.969208187e+00 2.00 8.658117090e+00 8.658117090e+00 2.02 7.453358265e+00 7.453358265e+00 2.04 6.346939316e+00 6.346939316e+00 2.06 5.331206440e+00 5.331206440e+00 2.08 4.398814872e+00 4.398814872e+00 2.10 3.542726908e+00 3.542726908e+00 2.12 2.756256561e+00 2.756256561e+00 2.14 2.033154776e+00 2.033154776e+00 2.16 1.367708538e+00 1.367708538e+00 2.18 7.548202074e-01 7.548202074e-01 2.20 1.900406959e-01 1.900406959e-01 2.22 -3.304534090e-01 -3.304534090e-01 2.24 -8.099306753e-01 -8.099306753e-01 2.26 -1.251203646e+00 -1.251203646e+00 2.28 -1.656733342e+00 -1.656733342e+00 2.30 -2.028722411e+00 -2.028722411e+00 2.32 -2.369188053e+00 -2.369188053e+00 2.34 -2.680012902e+00 -2.680012902e+00 2.36 -2.962976562e+00 -2.962976562e+00 2.38 -3.219772387e+00 -3.219772387e+00 2.40 -3.452014414e+00 -3.452014414e+00 2.42 -3.661238586e+00 -3.661238586e+00 2.44 -3.848898504e+00 -3.848898504e+00 2.46 -4.016124485e+00 -4.016124485e+00 2.48 -4.164277605e+00 -4.164277605e+00 2.50 -4.294849200e+00 -4.294849200e+00 2.52 -4.409200981e+00 -4.409200981e+00 2.54 -4.508579295e+00 -4.508579295e+00 2.56 -4.594129355e+00 -4.594129355e+00 2.58 -4.666906919e+00 -4.666906919e+00 2.60 -4.727872915e+00 -4.727872915e+00 2.62 -4.777602876e+00 -4.777602876e+00 2.64 -4.816325448e+00 -4.816325448e+00 2.66 -4.844310671e+00 -4.844310671e+00 2.68 -4.861794284e+00 -4.861794284e+00 2.70 -4.868994458e+00 -4.868994458e+00 2.72 -4.866146101e+00 -4.866146101e+00 2.74 -4.853504901e+00 -4.853504901e+00 2.76 -4.831352615e+00 -4.831352615e+00 2.78 -4.800001988e+00 -4.800001988e+00 2.80 -4.759801231e+00 -4.759801231e+00 2.82 -4.711137370e+00 -4.711137370e+00 2.84 -4.654411243e+00 -4.654411243e+00 2.86 -4.590050305e+00 -4.590050305e+00 2.88 -4.518553902e+00 -4.518553902e+00 2.90 -4.440500641e+00 -4.440500641e+00 2.92 -4.356551041e+00 -4.356551041e+00 2.94 -4.267444535e+00 -4.267444535e+00 2.96 -4.173988666e+00 -4.173988666e+00 2.98 -4.077044144e+00 -4.077044144e+00 3.00 -3.977585593e+00 -3.977585593e+00 3.02 -3.876424612e+00 -3.876424612e+00 3.04 -3.774264788e+00 -3.774264788e+00 3.06 -3.671736717e+00 -3.671736717e+00 3.08 -3.569365748e+00 -3.569365748e+00 3.10 -3.467549942e+00 -3.467549942e+00 3.12 -3.366550449e+00 -3.366550449e+00 3.14 -3.266496110e+00 -3.266496110e+00 3.16 -3.167406850e+00 -3.167406850e+00 3.18 -3.069208160e+00 -3.069208160e+00 3.20 -2.971752526e+00 -2.971752526e+00 3.22 -2.874847876e+00 -2.874847876e+00 3.24 -2.778285409e+00 -2.778285409e+00 3.26 -2.681865404e+00 -2.681865404e+00 3.28 -2.585420217e+00 -2.585420217e+00 3.30 -2.488834074e+00 -2.488834074e+00 3.32 -2.392059293e+00 -2.392059293e+00 3.34 -2.295128487e+00 -2.295128487e+00 3.36 -2.198162114e+00 -2.198162114e+00 3.38 -2.101370645e+00 -2.101370645e+00 3.40 -2.005050713e+00 -2.005050713e+00 3.42 -1.909574912e+00 -1.909574912e+00 3.44 -1.815375499e+00 -1.815375499e+00 3.46 -1.722922937e+00 -1.722922937e+00 3.48 -1.632700982e+00 -1.632700982e+00 3.50 -1.545180521e+00 -1.545180521e+00 3.52 -1.460794659e+00 -1.460794659e+00 3.54 -1.379917381e+00 -1.379917381e+00 3.56 -1.302847582e+00 -1.302847582e+00 3.58 -1.229799510e+00 -1.229799510e+00 3.60 -1.160899792e+00 -1.160899792e+00 3.62 -1.096190407e+00 -1.096190407e+00 3.64 -1.035636457e+00 -1.035636457e+00 3.66 -9.791372266e-01 -9.791372266e-01 3.68 -9.265390249e-01 -9.265390249e-01 3.70 -8.776484603e-01 -8.776484603e-01 3.72 -8.322450759e-01 -8.322450759e-01 3.74 -7.900926240e-01 -7.900926240e-01 3.76 -7.509485694e-01 -7.509485694e-01 3.78 -7.145716791e-01 -7.145716791e-01 3.80 -6.807277551e-01 -6.807277551e-01 3.82 -6.491936889e-01 -6.491936889e-01 3.84 -6.197600885e-01 -6.197600885e-01 3.86 -5.922327457e-01 -5.922327457e-01 3.88 -5.664332071e-01 -5.664332071e-01 3.90 -5.421986811e-01 -5.421986811e-01 3.92 -5.193814813e-01 -5.193814813e-01 3.94 -4.978481711e-01 -4.978481711e-01 3.96 -4.774785321e-01 -4.774785321e-01 3.98 -4.581644634e-01 -4.581644634e-01 4.00 -4.398088808e-01 -4.398088808e-01 4.02 -4.223246716e-01 -4.223246716e-01 4.04 -4.056337469e-01 -4.056337469e-01 4.06 -3.896662179e-01 -3.896662179e-01 4.08 -3.743597149e-01 -3.743597149e-01 4.10 -3.596588560e-01 -3.596588560e-01 4.12 -3.455148733e-01 -3.455148733e-01 4.14 -3.318853602e-01 -3.318853602e-01 4.16 -3.187341402e-01 -3.187341402e-01 4.18 -3.060311889e-01 -3.060311889e-01 4.20 -2.937525543e-01 -2.937525543e-01 4.22 -2.818801953e-01 -2.818801953e-01 4.24 -2.704016581e-01 -2.704016581e-01 4.26 -2.593095180e-01 -2.593095180e-01 4.28 -2.486005447e-01 -2.486005447e-01 4.30 -2.382745951e-01 -2.382745951e-01 4.32 -2.283332971e-01 -2.283332971e-01 4.34 -2.187786332e-01 -2.187786332e-01 4.36 -2.096115708e-01 -2.096115708e-01 4.38 -2.008306626e-01 -2.008306626e-01 4.40 -1.924316257e-01 -1.924316257e-01 4.42 -1.844068252e-01 -1.844068252e-01 4.44 -1.767448797e-01 -1.767448797e-01 4.46 -1.694309079e-01 -1.694309079e-01 4.48 -1.624468851e-01 -1.624468851e-01 4.50 -1.557725881e-01 -1.557725881e-01 4.52 -1.493861894e-01 -1.493861894e-01 4.54 -1.432647952e-01 -1.432647952e-01 4.56 -1.373850554e-01 -1.373850554e-01 4.58 -1.317236744e-01 -1.317236744e-01 4.60 -1.262578177e-01 -1.262578177e-01 4.62 -1.209654254e-01 -1.209654254e-01 4.64 -1.158254532e-01 -1.158254532e-01 4.66 -1.108180642e-01 -1.108180642e-01 4.68 -1.059247984e-01 -1.059247984e-01 4.70 -1.011287421e-01 -1.011287421e-01 4.72 -9.641471511e-02 -9.641471511e-02 4.74 -9.176949080e-02 -9.176949080e-02 4.76 -8.718205313e-02 -8.718205313e-02 4.78 -8.264388754e-02 -8.264388754e-02 4.80 -7.814929176e-02 -7.814929176e-02 4.82 -7.369568560e-02 -7.369568560e-02 4.84 -6.928387479e-02 -6.928387479e-02 4.86 -6.491823782e-02 -6.491823782e-02 4.88 -6.060677723e-02 -6.060677723e-02 4.90 -5.636099293e-02 -5.636099293e-02 4.92 -5.219554129e-02 -5.219554129e-02 4.94 -4.812766269e-02 -4.812766269e-02 4.96 -4.417639749e-02 -4.417639749e-02 4.98 -4.036162301e-02 -4.036162301e-02 5.00 -3.670298555e-02 -3.670298555e-02 5.02 -3.321882519e-02 -3.321882519e-02 5.04 -2.992518614e-02 -2.992518614e-02 5.06 -2.683499653e-02 -2.683499653e-02 5.08 -2.395750841e-02 -2.395750841e-02 5.10 -2.129800190e-02 -2.129800190e-02 5.12 -1.885776115e-02 -1.885776115e-02 5.14 -1.663423982e-02 -1.663423982e-02 5.16 -1.462118806e-02 -1.462118806e-02 5.18 -1.281012366e-02 -1.281012366e-02 5.20 -1.119037378e-02 -1.119037378e-02 5.22 -9.749564058e-03 -9.749564058e-03 5.24 -8.474241060e-03 -8.474241060e-03 5.26 -7.350424370e-03 -7.350424370e-03 5.28 -6.364070793e-03 -6.364070793e-03 5.30 -5.501444560e-03 -5.501444560e-03 5.32 -4.749396089e-03 -4.749396089e-03 5.34 -4.095557515e-03 -4.095557515e-03 5.36 -3.528466492e-03 -3.528466492e-03 5.38 -3.037631005e-03 -3.037631005e-03 5.40 -2.613547789e-03 -2.613547789e-03 5.42 -2.247685939e-03 -2.247685939e-03 5.44 -1.932445774e-03 -1.932445774e-03 5.46 -1.661101303e-03 -1.661101303e-03 5.48 -1.427732953e-03 -1.427732953e-03 5.50 -1.227155703e-03 -1.227155703e-03 5.52 -1.054846386e-03 -1.054846386e-03 5.54 -9.068728552e-04 -9.068728552e-04 5.56 -7.798267844e-04 -7.798267844e-04 5.58 -6.707612016e-04 -6.707612016e-04 5.60 -5.771333376e-04 -5.771333376e-04 5.62 -4.967529867e-04 -4.967529867e-04 5.64 -4.277363211e-04 -4.277363211e-04 5.66 -3.684649236e-04 -3.684649236e-04 5.68 -3.175496966e-04 -3.175496966e-04 5.70 -2.737992474e-04 -2.737992474e-04 5.72 -2.361923228e-04 -2.361923228e-04 5.74 -2.038538698e-04 -2.038538698e-04 5.76 -1.760343124e-04 -1.760343124e-04 5.78 -1.520916616e-04 -1.520916616e-04 5.80 -1.314761050e-04 -1.314761050e-04 5.82 -1.137167587e-04 -1.137167587e-04 5.84 -9.841029327e-05 -9.841029327e-05 5.86 -8.521118312e-05 -8.521118312e-05 5.88 -7.382335368e-05 -7.382335368e-05 5.90 -6.399303307e-05 -6.399303307e-05 5.92 -5.550263759e-05 -5.550263759e-05 5.94 -4.816554387e-05 -4.816554387e-05 5.96 -4.182162055e-05 -4.182162055e-05 5.98 -3.633340991e-05 -3.633340991e-05 6.00 -3.158286498e-05 -3.158286498e-05