# 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 = Al2AuMg # 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 1.990480153e+02 1.990480153e+02 1.30 1.848149613e+02 1.848149613e+02 1.32 1.716183600e+02 1.716183600e+02 1.34 1.593750137e+02 1.593750137e+02 1.36 1.480099306e+02 1.480099306e+02 1.38 1.374552198e+02 1.374552198e+02 1.40 1.276486697e+02 1.276486697e+02 1.42 1.185325469e+02 1.185325469e+02 1.44 1.100530132e+02 1.100530132e+02 1.46 1.021602782e+02 1.021602782e+02 1.48 9.480913741e+01 9.480913741e+01 1.50 8.795921542e+01 8.795921542e+01 1.52 8.157450003e+01 8.157450003e+01 1.54 7.562238318e+01 7.562238318e+01 1.56 7.007269453e+01 7.007269453e+01 1.58 6.489707135e+01 6.489707135e+01 1.60 6.007054190e+01 6.007054190e+01 1.62 5.557869940e+01 5.557869940e+01 1.64 5.139869748e+01 5.139869748e+01 1.66 4.750745211e+01 4.750745211e+01 1.68 4.388541112e+01 4.388541112e+01 1.70 4.051559240e+01 4.051559240e+01 1.72 3.737974694e+01 3.737974694e+01 1.74 3.446100058e+01 3.446100058e+01 1.76 3.174381268e+01 3.174381268e+01 1.78 2.921387322e+01 2.921387322e+01 1.80 2.685801053e+01 2.685801053e+01 1.82 2.466412507e+01 2.466412507e+01 1.84 2.262112440e+01 2.262112440e+01 1.86 2.071883152e+01 2.071883152e+01 1.88 1.894785059e+01 1.894785059e+01 1.90 1.729941486e+01 1.729941486e+01 1.92 1.576524830e+01 1.576524830e+01 1.94 1.433748274e+01 1.433748274e+01 1.96 1.300864829e+01 1.300864829e+01 1.98 1.177172508e+01 1.177172508e+01 2.00 1.062021376e+01 1.062021376e+01 2.02 9.548180143e+00 9.548180143e+00 2.04 8.550251719e+00 8.550251719e+00 2.06 7.621562735e+00 7.621562735e+00 2.08 6.757663302e+00 6.757663302e+00 2.10 5.954419127e+00 5.954419127e+00 2.12 5.207930527e+00 5.207930527e+00 2.14 4.514483900e+00 4.514483900e+00 2.16 3.870536558e+00 3.870536558e+00 2.18 3.272724691e+00 3.272724691e+00 2.20 2.717884384e+00 2.717884384e+00 2.22 2.203072376e+00 2.203072376e+00 2.24 1.725580702e+00 1.725580702e+00 2.26 1.282940913e+00 1.282940913e+00 2.28 8.729184770e-01 8.729184770e-01 2.30 4.934997690e-01 4.934997690e-01 2.32 1.428732109e-01 1.428732109e-01 2.34 -1.805920801e-01 -1.805920801e-01 2.36 -4.783720328e-01 -4.783720328e-01 2.38 -7.518154338e-01 -7.518154338e-01 2.40 -1.002174273e+00 -1.002174273e+00 2.42 -1.230635645e+00 -1.230635645e+00 2.44 -1.438351676e+00 -1.438351676e+00 2.46 -1.626465951e+00 -1.626465951e+00 2.48 -1.796132350e+00 -1.796132350e+00 2.50 -1.948525778e+00 -1.948525778e+00 2.52 -2.084846178e+00 -2.084846178e+00 2.54 -2.206319052e+00 -2.206319052e+00 2.56 -2.314194596e+00 -2.314194596e+00 2.58 -2.409743317e+00 -2.409743317e+00 2.60 -2.494241663e+00 -2.494241663e+00 2.62 -2.568960658e+00 -2.568960658e+00 2.64 -2.635144658e+00 -2.635144658e+00 2.66 -2.693778714e+00 -2.693778714e+00 2.68 -2.745700185e+00 -2.745700185e+00 2.70 -2.792598018e+00 -2.792598018e+00 2.72 -2.835214313e+00 -2.835214313e+00 2.74 -2.873412367e+00 -2.873412367e+00 2.76 -2.907056454e+00 -2.907056454e+00 2.78 -2.936025157e+00 -2.936025157e+00 2.80 -2.960221354e+00 -2.960221354e+00 2.82 -2.979576176e+00 -2.979576176e+00 2.84 -2.994055807e+00 -2.994055807e+00 2.86 -3.003661571e+00 -3.003661571e+00 2.88 -3.008443061e+00 -3.008443061e+00 2.90 -3.008491747e+00 -3.008491747e+00 2.92 -3.003923985e+00 -3.003923985e+00 2.94 -2.994884434e+00 -2.994884434e+00 2.96 -2.981552632e+00 -2.981552632e+00 2.98 -2.964151347e+00 -2.964151347e+00 3.00 -2.942954658e+00 -2.942954658e+00 3.02 -2.918292839e+00 -2.918292839e+00 3.04 -2.890550655e+00 -2.890550655e+00 3.06 -2.860157746e+00 -2.860157746e+00 3.08 -2.827568377e+00 -2.827568377e+00 3.10 -2.793236568e+00 -2.793236568e+00 3.12 -2.757588530e+00 -2.757588530e+00 3.14 -2.721000058e+00 -2.721000058e+00 3.16 -2.683780344e+00 -2.683780344e+00 3.18 -2.646167571e+00 -2.646167571e+00 3.20 -2.608332490e+00 -2.608332490e+00 3.22 -2.570388460e+00 -2.570388460e+00 3.24 -2.532404453e+00 -2.532404453e+00 3.26 -2.494418223e+00 -2.494418223e+00 3.28 -2.456447756e+00 -2.456447756e+00 3.30 -2.418500124e+00 -2.418500124e+00 3.32 -2.380577657e+00 -2.380577657e+00 3.34 -2.342686161e+00 -2.342686161e+00 3.36 -2.304837538e+00 -2.304837538e+00 3.38 -2.267028989e+00 -2.267028989e+00 3.40 -2.229261760e+00 -2.229261760e+00 3.42 -2.191542762e+00 -2.191542762e+00 3.44 -2.153884500e+00 -2.153884500e+00 3.46 -2.116305204e+00 -2.116305204e+00 3.48 -2.078828432e+00 -2.078828432e+00 3.50 -2.041482410e+00 -2.041482410e+00 3.52 -2.004299065e+00 -2.004299065e+00 3.54 -1.967312832e+00 -1.967312832e+00 3.56 -1.930556651e+00 -1.930556651e+00 3.58 -1.894052950e+00 -1.894052950e+00 3.60 -1.857822252e+00 -1.857822252e+00 3.62 -1.821885387e+00 -1.821885387e+00 3.64 -1.786262264e+00 -1.786262264e+00 3.66 -1.750970939e+00 -1.750970939e+00 3.68 -1.716026908e+00 -1.716026908e+00 3.70 -1.681442598e+00 -1.681442598e+00 3.72 -1.647227052e+00 -1.647227052e+00 3.74 -1.613385787e+00 -1.613385787e+00 3.76 -1.579920802e+00 -1.579920802e+00 3.78 -1.546830722e+00 -1.546830722e+00 3.80 -1.514111046e+00 -1.514111046e+00 3.82 -1.481754488e+00 -1.481754488e+00 3.84 -1.449751340e+00 -1.449751340e+00 3.86 -1.418089861e+00 -1.418089861e+00 3.88 -1.386756627e+00 -1.386756627e+00 3.90 -1.355736838e+00 -1.355736838e+00 3.92 -1.325014479e+00 -1.325014479e+00 3.94 -1.294572916e+00 -1.294572916e+00 3.96 -1.264394450e+00 -1.264394450e+00 3.98 -1.234460938e+00 -1.234460938e+00 4.00 -1.204753880e+00 -1.204753880e+00 4.02 -1.175254689e+00 -1.175254689e+00 4.04 -1.145945071e+00 -1.145945071e+00 4.06 -1.116807538e+00 -1.116807538e+00 4.08 -1.087826129e+00 -1.087826129e+00 4.10 -1.058987042e+00 -1.058987042e+00 4.12 -1.030281081e+00 -1.030281081e+00 4.14 -1.001703095e+00 -1.001703095e+00 4.16 -9.732549693e-01 -9.732549693e-01 4.18 -9.449469162e-01 -9.449469162e-01 4.20 -9.167990180e-01 -9.167990180e-01 4.22 -8.888424433e-01 -8.888424433e-01 4.24 -8.611200730e-01 -8.611200730e-01 4.26 -8.336862940e-01 -8.336862940e-01 4.28 -8.066057713e-01 -8.066057713e-01 4.30 -7.799511181e-01 -7.799511181e-01 4.32 -7.537995363e-01 -7.537995363e-01 4.34 -7.282286712e-01 -7.282286712e-01 4.36 -7.033120669e-01 -7.033120669e-01 4.38 -6.791147069e-01 -6.791147069e-01 4.40 -6.556891230e-01 -6.556891230e-01 4.42 -6.330724772e-01 -6.330724772e-01 4.44 -6.112848638e-01 -6.112848638e-01 4.46 -5.903288950e-01 -5.903288950e-01 4.48 -5.701904593e-01 -5.701904593e-01 4.50 -5.508404085e-01 -5.508404085e-01 4.52 -5.322368674e-01 -5.322368674e-01 4.54 -5.143278513e-01 -5.143278513e-01 4.56 -4.970539211e-01 -4.970539211e-01 4.58 -4.803506775e-01 -4.803506775e-01 4.60 -4.641509741e-01 -4.641509741e-01 4.62 -4.483868010e-01 -4.483868010e-01 4.64 -4.329908502e-01 -4.329908502e-01 4.66 -4.178978096e-01 -4.178978096e-01 4.68 -4.030454570e-01 -4.030454570e-01 4.70 -3.883756296e-01 -3.883756296e-01 4.72 -3.738351423e-01 -3.738351423e-01 4.74 -3.593767121e-01 -3.593767121e-01 4.76 -3.449599258e-01 -3.449599258e-01 4.78 -3.305522665e-01 -3.305522665e-01 4.80 -3.161299949e-01 -3.161299949e-01 4.82 -3.016799778e-01 -3.016799778e-01 4.84 -2.871994591e-01 -2.871994591e-01 4.86 -2.726976865e-01 -2.726976865e-01 4.88 -2.581961594e-01 -2.581961594e-01 4.90 -2.437286526e-01 -2.437286526e-01 4.92 -2.293406758e-01 -2.293406758e-01 4.94 -2.150882839e-01 -2.150882839e-01 4.96 -2.010362107e-01 -2.010362107e-01 4.98 -1.872553684e-01 -1.872553684e-01 5.00 -1.738198368e-01 -1.738198368e-01 5.02 -1.608035402e-01 -1.608035402e-01 5.04 -1.482768597e-01 -1.482768597e-01 5.06 -1.363034550e-01 -1.363034550e-01 5.08 -1.249375542e-01 -1.249375542e-01 5.10 -1.142219052e-01 -1.142219052e-01 5.12 -1.041865204e-01 -1.041865204e-01 5.14 -9.484824695e-02 -9.484824695e-02 5.16 -8.621111170e-02 -8.621111170e-02 5.18 -7.826731837e-02 -7.826731837e-02 5.20 -7.099872786e-02 -7.099872786e-02 5.22 -6.437864905e-02 -6.437864905e-02 5.24 -5.837376119e-02 -5.837376119e-02 5.26 -5.294601703e-02 -5.294601703e-02 5.28 -4.805441899e-02 -4.805441899e-02 5.30 -4.365655940e-02 -4.365655940e-02 5.32 -3.970994517e-02 -3.970994517e-02 5.34 -3.617304629e-02 -3.617304629e-02 5.36 -3.300607564e-02 -3.300607564e-02 5.38 -3.017078793e-02 -3.017078793e-02 5.40 -2.763250236e-02 -2.763250236e-02 5.42 -2.535964193e-02 -2.535964193e-02 5.44 -2.332336140e-02 -2.332336140e-02 5.46 -2.149765504e-02 -2.149765504e-02 5.48 -1.985908007e-02 -1.985908007e-02 5.50 -1.838664112e-02 -1.838664112e-02 5.52 -1.706162636e-02 -1.706162636e-02 5.54 -1.586741347e-02 -1.586741347e-02 5.56 -1.478926485e-02 -1.478926485e-02 5.58 -1.381412529e-02 -1.381412529e-02 5.60 -1.293043099e-02 -1.293043099e-02 5.62 -1.212793505e-02 -1.212793505e-02 5.64 -1.139755150e-02 -1.139755150e-02 5.66 -1.073121814e-02 -1.073121814e-02 5.68 -1.012177687e-02 -1.012177687e-02 5.70 -9.562869696e-03 -9.562869696e-03 5.72 -9.048848070e-03 -9.048848070e-03 5.74 -8.574693590e-03 -8.574693590e-03 5.76 -8.135948062e-03 -8.135948062e-03 5.78 -7.728651479e-03 -7.728651479e-03 5.80 -7.349286693e-03 -7.349286693e-03 5.82 -6.994729912e-03 -6.994729912e-03 5.84 -6.662206376e-03 -6.662206376e-03 5.86 -6.349250747e-03 -6.349250747e-03 5.88 -6.053671864e-03 -6.053671864e-03 5.90 -5.773521602e-03 -5.773521602e-03 5.92 -5.507067588e-03 -5.507067588e-03 5.94 -5.252769591e-03 -5.252769591e-03 5.96 -5.009259363e-03 -5.009259363e-03 5.98 -4.775323763e-03 -4.775323763e-03 6.00 -4.549890910e-03 -4.549890910e-03