# 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 = MoPbTa2 # 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 4.478689988e+02 4.478689988e+02 1.30 4.173271153e+02 4.173271153e+02 1.32 3.889681085e+02 3.889681085e+02 1.34 3.626312434e+02 3.626312434e+02 1.36 3.381635425e+02 3.381635425e+02 1.38 3.154183886e+02 3.154183886e+02 1.40 2.942566149e+02 2.942566149e+02 1.42 2.745486926e+02 2.745486926e+02 1.44 2.561764136e+02 2.561764136e+02 1.46 2.390333503e+02 2.390333503e+02 1.48 2.230244002e+02 2.230244002e+02 1.50 2.080649511e+02 2.080649511e+02 1.52 1.940798286e+02 1.940798286e+02 1.54 1.810019071e+02 1.810019071e+02 1.56 1.687704579e+02 1.687704579e+02 1.58 1.573296072e+02 1.573296072e+02 1.60 1.466272602e+02 1.466272602e+02 1.62 1.366145844e+02 1.366145844e+02 1.64 1.272458735e+02 1.272458735e+02 1.66 1.184785668e+02 1.184785668e+02 1.68 1.102732185e+02 1.102732185e+02 1.70 1.025933234e+02 1.025933234e+02 1.72 9.540495546e+01 9.540495546e+01 1.74 8.867628475e+01 8.867628475e+01 1.76 8.237710277e+01 8.237710277e+01 1.78 7.647850524e+01 7.647850524e+01 1.80 7.095282310e+01 7.095282310e+01 1.82 6.577378101e+01 6.577378101e+01 1.84 6.091676674e+01 6.091676674e+01 1.86 5.635906272e+01 5.635906272e+01 1.88 5.207997257e+01 5.207997257e+01 1.90 4.806555282e+01 4.806555282e+01 1.92 4.430395391e+01 4.430395391e+01 1.94 4.077956814e+01 4.077956814e+01 1.96 3.748192861e+01 3.748192861e+01 1.98 3.440379180e+01 3.440379180e+01 2.00 3.153313667e+01 3.153313667e+01 2.02 2.885811369e+01 2.885811369e+01 2.04 2.636720188e+01 2.636720188e+01 2.06 2.404902058e+01 2.404902058e+01 2.08 2.189229292e+01 2.189229292e+01 2.10 1.988594519e+01 1.988594519e+01 2.12 1.801928247e+01 1.801928247e+01 2.14 1.628217657e+01 1.628217657e+01 2.16 1.466521362e+01 1.466521362e+01 2.18 1.315977375e+01 1.315977375e+01 2.20 1.175803366e+01 1.175803366e+01 2.22 1.045291115e+01 1.045291115e+01 2.24 9.237967238e+00 9.237967238e+00 2.26 8.107290310e+00 8.107290310e+00 2.28 7.055377556e+00 7.055377556e+00 2.30 6.077037568e+00 6.077037568e+00 2.32 5.167312499e+00 5.167312499e+00 2.34 4.321443709e+00 4.321443709e+00 2.36 3.534868464e+00 3.534868464e+00 2.38 2.803249707e+00 2.803249707e+00 2.40 2.122521550e+00 2.122521550e+00 2.42 1.488934750e+00 1.488934750e+00 2.44 8.990854601e-01 8.990854601e-01 2.46 3.499221532e-01 3.499221532e-01 2.48 -1.612715617e-01 -1.612715617e-01 2.50 -6.369114493e-01 -6.369114493e-01 2.52 -1.079156394e+00 -1.079156394e+00 2.54 -1.489953637e+00 -1.489953637e+00 2.56 -1.871079958e+00 -1.871079958e+00 2.58 -2.224175925e+00 -2.224175925e+00 2.60 -2.550772526e+00 -2.550772526e+00 2.62 -2.852245517e+00 -2.852245517e+00 2.64 -3.129844964e+00 -3.129844964e+00 2.66 -3.385019501e+00 -3.385019501e+00 2.68 -3.619146360e+00 -3.619146360e+00 2.70 -3.833519610e+00 -3.833519610e+00 2.72 -4.029353646e+00 -4.029353646e+00 2.74 -4.207783580e+00 -4.207783580e+00 2.76 -4.369863759e+00 -4.369863759e+00 2.78 -4.516565756e+00 -4.516565756e+00 2.80 -4.648669061e+00 -4.648669061e+00 2.82 -4.766543423e+00 -4.766543423e+00 2.84 -4.870639612e+00 -4.870639612e+00 2.86 -4.961403445e+00 -4.961403445e+00 2.88 -5.039252993e+00 -5.039252993e+00 2.90 -5.104580004e+00 -5.104580004e+00 2.92 -5.157753862e+00 -5.157753862e+00 2.94 -5.199127018e+00 -5.199127018e+00 2.96 -5.229040822e+00 -5.229040822e+00 2.98 -5.247830514e+00 -5.247830514e+00 3.00 -5.255775006e+00 -5.255775006e+00 3.02 -5.253060857e+00 -5.253060857e+00 3.04 -5.239891988e+00 -5.239891988e+00 3.06 -5.216502571e+00 -5.216502571e+00 3.08 -5.183150077e+00 -5.183150077e+00 3.10 -5.140115627e+00 -5.140115627e+00 3.12 -5.087702332e+00 -5.087702332e+00 3.14 -5.026240594e+00 -5.026240594e+00 3.16 -4.956088169e+00 -4.956088169e+00 3.18 -4.877640671e+00 -4.877640671e+00 3.20 -4.791339225e+00 -4.791339225e+00 3.22 -4.697679433e+00 -4.697679433e+00 3.24 -4.597219508e+00 -4.597219508e+00 3.26 -4.490586239e+00 -4.490586239e+00 3.28 -4.378477396e+00 -4.378477396e+00 3.30 -4.261659294e+00 -4.261659294e+00 3.32 -4.140958555e+00 -4.140958555e+00 3.34 -4.017247732e+00 -4.017247732e+00 3.36 -3.891425232e+00 -3.891425232e+00 3.38 -3.764390844e+00 -3.764390844e+00 3.40 -3.637018724e+00 -3.637018724e+00 3.42 -3.510130662e+00 -3.510130662e+00 3.44 -3.384470430e+00 -3.384470430e+00 3.46 -3.260693276e+00 -3.260693276e+00 3.48 -3.139362205e+00 -3.139362205e+00 3.50 -3.020845227e+00 -3.020845227e+00 3.52 -2.905380169e+00 -2.905380169e+00 3.54 -2.793086489e+00 -2.793086489e+00 3.56 -2.683973833e+00 -2.683973833e+00 3.58 -2.577956028e+00 -2.577956028e+00 3.60 -2.474867671e+00 -2.474867671e+00 3.62 -2.374467223e+00 -2.374467223e+00 3.64 -2.276466814e+00 -2.276466814e+00 3.66 -2.180570270e+00 -2.180570270e+00 3.68 -2.086496642e+00 -2.086496642e+00 3.70 -1.994001954e+00 -1.994001954e+00 3.72 -1.902898182e+00 -1.902898182e+00 3.74 -1.813068346e+00 -1.813068346e+00 3.76 -1.724476680e+00 -1.724476680e+00 3.78 -1.637173026e+00 -1.637173026e+00 3.80 -1.551290930e+00 -1.551290930e+00 3.82 -1.467039392e+00 -1.467039392e+00 3.84 -1.384688782e+00 -1.384688782e+00 3.86 -1.304552048e+00 -1.304552048e+00 3.88 -1.226962894e+00 -1.226962894e+00 3.90 -1.152252938e+00 -1.152252938e+00 3.92 -1.080729505e+00 -1.080729505e+00 3.94 -1.012658799e+00 -1.012658799e+00 3.96 -9.482486160e-01 -9.482486160e-01 3.98 -8.876414538e-01 -8.876414538e-01 4.00 -8.309103813e-01 -8.309103813e-01 4.02 -7.780604427e-01 -7.780604427e-01 4.04 -7.290341309e-01 -7.290341309e-01 4.06 -6.837197799e-01 -6.837197799e-01 4.08 -6.419616738e-01 -6.419616738e-01 4.10 -6.035693312e-01 -6.035693312e-01 4.12 -5.683340006e-01 -5.683340006e-01 4.14 -5.360286828e-01 -5.360286828e-01 4.16 -5.064230295e-01 -5.064230295e-01 4.18 -4.792882915e-01 -4.792882915e-01 4.20 -4.544025235e-01 -4.544025235e-01 4.22 -4.315543762e-01 -4.315543762e-01 4.24 -4.105456465e-01 -4.105456465e-01 4.26 -3.911927884e-01 -3.911927884e-01 4.28 -3.733275925e-01 -3.733275925e-01 4.30 -3.567972315e-01 -3.567972315e-01 4.32 -3.414638329e-01 -3.414638329e-01 4.34 -3.272037420e-01 -3.272037420e-01 4.36 -3.139065882e-01 -3.139065882e-01 4.38 -3.014742251e-01 -3.014742251e-01 4.40 -2.898196275e-01 -2.898196275e-01 4.42 -2.788658010e-01 -2.788658010e-01 4.44 -2.685446110e-01 -2.685446110e-01 4.46 -2.587953992e-01 -2.587953992e-01 4.48 -2.495656722e-01 -2.495656722e-01 4.50 -2.408090716e-01 -2.408090716e-01 4.52 -2.324845037e-01 -2.324845037e-01 4.54 -2.245555600e-01 -2.245555600e-01 4.56 -2.169899724e-01 -2.169899724e-01 4.58 -2.097591116e-01 -2.097591116e-01 4.60 -2.028375349e-01 -2.028375349e-01 4.62 -1.962025823e-01 -1.962025823e-01 4.64 -1.898340195e-01 -1.898340195e-01 4.66 -1.837137238e-01 -1.837137238e-01 4.68 -1.778254090e-01 -1.778254090e-01 4.70 -1.721543859e-01 -1.721543859e-01 4.72 -1.666873538e-01 -1.666873538e-01 4.74 -1.614122192e-01 -1.614122192e-01 4.76 -1.563179394e-01 -1.563179394e-01 4.78 -1.513943876e-01 -1.513943876e-01 4.80 -1.466314404e-01 -1.466314404e-01 4.82 -1.420221905e-01 -1.420221905e-01 4.84 -1.375576827e-01 -1.375576827e-01 4.86 -1.332304558e-01 -1.332304558e-01 4.88 -1.290335354e-01 -1.290335354e-01 4.90 -1.249603883e-01 -1.249603883e-01 4.92 -1.210048868e-01 -1.210048868e-01 4.94 -1.171612825e-01 -1.171612825e-01 4.96 -1.134241909e-01 -1.134241909e-01 4.98 -1.097885843e-01 -1.097885843e-01 5.00 -1.062497934e-01 -1.062497934e-01 5.02 -1.028035166e-01 -1.028035166e-01 5.04 -9.944583607e-02 -9.944583607e-02 5.06 -9.617323844e-02 -9.617323844e-02 5.08 -9.298263723e-02 -9.298263723e-02 5.10 -8.987139725e-02 -8.987139725e-02 5.12 -8.683735533e-02 -8.683735533e-02 5.14 -8.387883398e-02 -8.387883398e-02 5.16 -8.099464393e-02 -8.099464393e-02 5.18 -7.818407182e-02 -7.818407182e-02 5.20 -7.544684947e-02 -7.544684947e-02 5.22 -7.278310247e-02 -7.278310247e-02 5.24 -7.019327750e-02 -7.019327750e-02 5.26 -6.767803597e-02 -6.767803597e-02 5.28 -6.523807470e-02 -6.523807470e-02 5.30 -6.287421019e-02 -6.287421019e-02 5.32 -6.058715969e-02 -6.058715969e-02 5.34 -5.837739507e-02 -5.837739507e-02 5.36 -5.624504098e-02 -5.624504098e-02 5.38 -5.418979376e-02 -5.418979376e-02 5.40 -5.221086829e-02 -5.221086829e-02 5.42 -5.030697363e-02 -5.030697363e-02 5.44 -4.847631714e-02 -4.847631714e-02 5.46 -4.671663416e-02 -4.671663416e-02 5.48 -4.502523853e-02 -4.502523853e-02 5.50 -4.339908780e-02 -4.339908780e-02 5.52 -4.183485699e-02 -4.183485699e-02 5.54 -4.032901535e-02 -4.032901535e-02 5.56 -3.887790098e-02 -3.887790098e-02 5.58 -3.747779011e-02 -3.747779011e-02 5.60 -3.612495846e-02 -3.612495846e-02 5.62 -3.481573388e-02 -3.481573388e-02 5.64 -3.354654085e-02 -3.354654085e-02 5.66 -3.231393554e-02 -3.231393554e-02 5.68 -3.111463446e-02 -3.111463446e-02 5.70 -2.994553756e-02 -2.994553756e-02 5.72 -2.880374740e-02 -2.880374740e-02 5.74 -2.768658570e-02 -2.768658570e-02 5.76 -2.659160868e-02 -2.659160868e-02 5.78 -2.551662211e-02 -2.551662211e-02 5.80 -2.445969670e-02 -2.445969670e-02 5.82 -2.341918420e-02 -2.341918420e-02 5.84 -2.239373415e-02 -2.239373415e-02 5.86 -2.138231059e-02 -2.138231059e-02 5.88 -2.038420808e-02 -2.038420808e-02 5.90 -1.939906554e-02 -1.939906554e-02 5.92 -1.842687650e-02 -1.842687650e-02 5.94 -1.746797877e-02 -1.746797877e-02 5.96 -1.652299806e-02 -1.652299806e-02 5.98 -1.559299485e-02 -1.559299485e-02 6.00 -1.467936747e-02 -1.467936747e-02