# 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 = AgCu2Mo # 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 1.793386514e+02 1.793386514e+02 1.30 1.653312288e+02 1.653312288e+02 1.32 1.524160708e+02 1.524160708e+02 1.34 1.405032168e+02 1.405032168e+02 1.36 1.295076662e+02 1.295076662e+02 1.38 1.193498485e+02 1.193498485e+02 1.40 1.099568050e+02 1.099568050e+02 1.42 1.012633262e+02 1.012633262e+02 1.44 9.321194008e+01 9.321194008e+01 1.46 8.575171511e+01 8.575171511e+01 1.48 7.883684533e+01 7.883684533e+01 1.50 7.242583039e+01 7.242583039e+01 1.52 6.648120108e+01 6.648120108e+01 1.54 6.096922068e+01 6.096922068e+01 1.56 5.585928762e+01 5.585928762e+01 1.58 5.112332621e+01 5.112332621e+01 1.60 4.673550875e+01 4.673550875e+01 1.62 4.267379803e+01 4.267379803e+01 1.64 3.891811608e+01 3.891811608e+01 1.66 3.544945906e+01 3.544945906e+01 1.68 3.224973575e+01 3.224973575e+01 1.70 2.930063085e+01 2.930063085e+01 1.72 2.658423114e+01 2.658423114e+01 1.74 2.408270781e+01 2.408270781e+01 1.76 2.177836348e+01 2.177836348e+01 1.78 1.965393785e+01 1.965393785e+01 1.80 1.769309478e+01 1.769309478e+01 1.82 1.588094364e+01 1.588094364e+01 1.84 1.420441943e+01 1.420441943e+01 1.86 1.265239716e+01 1.265239716e+01 1.88 1.121552785e+01 1.121552785e+01 1.90 9.885886161e+00 9.885886161e+00 1.92 8.656563372e+00 8.656563372e+00 1.94 7.521321196e+00 7.521321196e+00 1.96 6.474362961e+00 6.474362961e+00 1.98 5.510213215e+00 5.510213215e+00 2.00 4.623658633e+00 4.623658633e+00 2.02 3.809704943e+00 3.809704943e+00 2.04 3.063529607e+00 3.063529607e+00 2.06 2.380434475e+00 2.380434475e+00 2.08 1.755815303e+00 1.755815303e+00 2.10 1.185164430e+00 1.185164430e+00 2.12 6.641114373e-01 6.641114373e-01 2.14 1.884906499e-01 1.884906499e-01 2.16 -2.455866332e-01 -2.455866332e-01 2.18 -6.416776645e-01 -6.416776645e-01 2.20 -1.002985088e+00 -1.002985088e+00 2.22 -1.332366814e+00 -1.332366814e+00 2.24 -1.632372298e+00 -1.632372298e+00 2.26 -1.905295643e+00 -1.905295643e+00 2.28 -2.153183532e+00 -2.153183532e+00 2.30 -2.377860279e+00 -2.377860279e+00 2.32 -2.581382958e+00 -2.581382958e+00 2.34 -2.765670768e+00 -2.765670768e+00 2.36 -2.932449481e+00 -2.932449481e+00 2.38 -3.083230927e+00 -3.083230927e+00 2.40 -3.219305408e+00 -3.219305408e+00 2.42 -3.341736010e+00 -3.341736010e+00 2.44 -3.451229873e+00 -3.451229873e+00 2.46 -3.548347836e+00 -3.548347836e+00 2.48 -3.633653993e+00 -3.633653993e+00 2.50 -3.707723108e+00 -3.707723108e+00 2.52 -3.771141204e+00 -3.771141204e+00 2.54 -3.824501833e+00 -3.824501833e+00 2.56 -3.868400551e+00 -3.868400551e+00 2.58 -3.903429805e+00 -3.903429805e+00 2.60 -3.930175263e+00 -3.930175263e+00 2.62 -3.949213422e+00 -3.949213422e+00 2.64 -3.961110113e+00 -3.961110113e+00 2.66 -3.966762715e+00 -3.966762715e+00 2.68 -3.966691764e+00 -3.966691764e+00 2.70 -3.960977819e+00 -3.960977819e+00 2.72 -3.949767904e+00 -3.949767904e+00 2.74 -3.933258679e+00 -3.933258679e+00 2.76 -3.911683440e+00 -3.911683440e+00 2.78 -3.885406830e+00 -3.885406830e+00 2.80 -3.854580558e+00 -3.854580558e+00 2.82 -3.819276342e+00 -3.819276342e+00 2.84 -3.779613454e+00 -3.779613454e+00 2.86 -3.735721070e+00 -3.735721070e+00 2.88 -3.687737174e+00 -3.687737174e+00 2.90 -3.635826696e+00 -3.635826696e+00 2.92 -3.580208589e+00 -3.580208589e+00 2.94 -3.521146034e+00 -3.521146034e+00 2.96 -3.458943301e+00 -3.458943301e+00 2.98 -3.393943504e+00 -3.393943504e+00 3.00 -3.326521036e+00 -3.326521036e+00 3.02 -3.257069357e+00 -3.257069357e+00 3.04 -3.185985335e+00 -3.185985335e+00 3.06 -3.113651769e+00 -3.113651769e+00 3.08 -3.040420022e+00 -3.040420022e+00 3.10 -2.966594805e+00 -2.966594805e+00 3.12 -2.892422953e+00 -2.892422953e+00 3.14 -2.818087536e+00 -2.818087536e+00 3.16 -2.743707919e+00 -2.743707919e+00 3.18 -2.669345497e+00 -2.669345497e+00 3.20 -2.595014149e+00 -2.595014149e+00 3.22 -2.520693986e+00 -2.520693986e+00 3.24 -2.446346915e+00 -2.446346915e+00 3.26 -2.371932613e+00 -2.371932613e+00 3.28 -2.297423769e+00 -2.297423769e+00 3.30 -2.222819581e+00 -2.222819581e+00 3.32 -2.148156695e+00 -2.148156695e+00 3.34 -2.073516807e+00 -2.073516807e+00 3.36 -1.999030361e+00 -1.999030361e+00 3.38 -1.924875939e+00 -1.924875939e+00 3.40 -1.851275296e+00 -1.851275296e+00 3.42 -1.778484377e+00 -1.778484377e+00 3.44 -1.706781078e+00 -1.706781078e+00 3.46 -1.636450889e+00 -1.636450889e+00 3.48 -1.567771792e+00 -1.567771792e+00 3.50 -1.500999861e+00 -1.500999861e+00 3.52 -1.436356885e+00 -1.436356885e+00 3.54 -1.374021025e+00 -1.374021025e+00 3.56 -1.314121105e+00 -1.314121105e+00 3.58 -1.256734678e+00 -1.256734678e+00 3.60 -1.201889606e+00 -1.201889606e+00 3.62 -1.149568577e+00 -1.149568577e+00 3.64 -1.099715804e+00 -1.099715804e+00 3.66 -1.052245101e+00 -1.052245101e+00 3.68 -1.007048560e+00 -1.007048560e+00 3.70 -9.640051736e-01 -9.640051736e-01 3.72 -9.229888514e-01 -9.229888514e-01 3.74 -8.838753820e-01 -8.838753820e-01 3.76 -8.465480153e-01 -8.465480153e-01 3.78 -8.109013987e-01 -8.109013987e-01 3.80 -7.768437157e-01 -7.768437157e-01 3.82 -7.442969947e-01 -7.442969947e-01 3.84 -7.131957246e-01 -7.131957246e-01 3.86 -6.834841008e-01 -6.834841008e-01 3.88 -6.551123947e-01 -6.551123947e-01 3.90 -6.280330494e-01 -6.280330494e-01 3.92 -6.021971022e-01 -6.021971022e-01 3.94 -5.775514270e-01 -5.775514270e-01 3.96 -5.540370775e-01 -5.540370775e-01 3.98 -5.315887991e-01 -5.315887991e-01 4.00 -5.101355540e-01 -5.101355540e-01 4.02 -4.896017911e-01 -4.896017911e-01 4.04 -4.699091376e-01 -4.699091376e-01 4.06 -4.509782298e-01 -4.509782298e-01 4.08 -4.327304693e-01 -4.327304693e-01 4.10 -4.150895854e-01 -4.150895854e-01 4.12 -3.979829714e-01 -3.979829714e-01 4.14 -3.813427998e-01 -3.813427998e-01 4.16 -3.651069923e-01 -3.651069923e-01 4.18 -3.492200921e-01 -3.492200921e-01 4.20 -3.336340973e-01 -3.336340973e-01 4.22 -3.183092878e-01 -3.183092878e-01 4.24 -3.032150442e-01 -3.032150442e-01 4.26 -2.883306263e-01 -2.883306263e-01 4.28 -2.736458467e-01 -2.736458467e-01 4.30 -2.591615445e-01 -2.591615445e-01 4.32 -2.448897511e-01 -2.448897511e-01 4.34 -2.308534313e-01 -2.308534313e-01 4.36 -2.170856974e-01 -2.170856974e-01 4.38 -2.036284266e-01 -2.036284266e-01 4.40 -1.905302619e-01 -1.905302619e-01 4.42 -1.778440492e-01 -1.778440492e-01 4.44 -1.656238407e-01 -1.656238407e-01 4.46 -1.539216749e-01 -1.539216749e-01 4.48 -1.427843968e-01 -1.427843968e-01 4.50 -1.322508095e-01 -1.322508095e-01 4.52 -1.223494194e-01 -1.223494194e-01 4.54 -1.130969761e-01 -1.130969761e-01 4.56 -1.044979008e-01 -1.044979008e-01 4.58 -9.654458920e-02 -9.654458920e-02 4.60 -8.921847485e-02 -8.921847485e-02 4.62 -8.249166547e-02 -8.249166547e-02 4.64 -7.632891550e-02 -7.632891550e-02 4.66 -7.068972942e-02 -7.068972942e-02 4.68 -6.553042449e-02 -6.553042449e-02 4.70 -6.080600840e-02 -6.080600840e-02 4.72 -5.647151443e-02 -5.647151443e-02 4.74 -5.248356391e-02 -5.248356391e-02 4.76 -4.880190619e-02 -4.880190619e-02 4.78 -4.538948364e-02 -4.538948364e-02 4.80 -4.221276984e-02 -4.221276984e-02 4.82 -3.924211770e-02 -3.924211770e-02 4.84 -3.645190716e-02 -3.645190716e-02 4.86 -3.382055053e-02 -3.382055053e-02 4.88 -3.133037791e-02 -3.133037791e-02 4.90 -2.896742901e-02 -2.896742901e-02 4.92 -2.672116496e-02 -2.672116496e-02 4.94 -2.458410958e-02 -2.458410958e-02 4.96 -2.255142897e-02 -2.255142897e-02 4.98 -2.062046159e-02 -2.062046159e-02 5.00 -1.879021309e-02 -1.879021309e-02 5.02 -1.706083647e-02 -1.706083647e-02 5.04 -1.543312224e-02 -1.543312224e-02 5.06 -1.390802480e-02 -1.390802480e-02 5.08 -1.248616584e-02 -1.248616584e-02 5.10 -1.116752132e-02 -1.116752132e-02 5.12 -9.951525604e-03 -9.951525604e-03 5.14 -8.836643478e-03 -8.836643478e-03 5.16 -7.820320137e-03 -7.820320137e-03 5.18 -6.899030039e-03 -6.899030039e-03 5.20 -6.068390760e-03 -6.068390760e-03 5.22 -5.323320857e-03 -5.323320857e-03 5.24 -4.658221089e-03 -4.658221089e-03 5.26 -4.067160777e-03 -4.067160777e-03 5.28 -3.544054878e-03 -3.544054878e-03 5.30 -3.082821613e-03 -3.082821613e-03 5.32 -2.677514676e-03 -2.677514676e-03 5.34 -2.322427587e-03 -2.322427587e-03 5.36 -2.012170525e-03 -2.012170525e-03 5.38 -1.741721868e-03 -1.741721868e-03 5.40 -1.506457800e-03 -1.506457800e-03 5.42 -1.302163831e-03 -1.302163831e-03 5.44 -1.125032128e-03 -1.125032128e-03 5.46 -9.716482664e-04 -9.716482664e-04 5.48 -8.389705581e-04 -8.389705581e-04 5.50 -7.243046277e-04 -7.243046277e-04 5.52 -6.252753343e-04 -6.252753343e-04 5.54 -5.397976848e-04 -5.397976848e-04 5.56 -4.660479373e-04 -4.660479373e-04 5.58 -4.024357449e-04 -4.024357449e-04 5.60 -3.475778962e-04 -3.475778962e-04 5.62 -3.002739908e-04 -3.002739908e-04 5.64 -2.594842124e-04 -2.594842124e-04 5.66 -2.243092453e-04 -2.243092453e-04 5.68 -1.939722898e-04 -1.939722898e-04 5.70 -1.678030777e-04 -1.678030777e-04 5.72 -1.452237534e-04 -1.452237534e-04 5.74 -1.257364659e-04 -1.257364659e-04 5.76 -1.089125124e-04 -1.089125124e-04 5.78 -9.438287336e-05 -9.438287336e-05 5.80 -8.182998520e-05 -8.182998520e-05 5.82 -7.098060731e-05 -7.098060731e-05 5.84 -6.159965046e-05 -6.159965046e-05 5.86 -5.348484644e-05 -5.348484644e-05 5.88 -4.646215085e-05 -4.646215085e-05 5.90 -4.038178295e-05 -4.038178295e-05 5.92 -3.511481734e-05 -3.511481734e-05 5.94 -3.055025297e-05 -3.055025297e-05 5.96 -2.659249390e-05 -2.659249390e-05 5.98 -2.315918517e-05 -2.315918517e-05 6.00 -2.017935404e-05 -2.017935404e-05