# 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 = AgAl2Pb # 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 1.880964318e+02 1.880964318e+02 1.30 1.754617994e+02 1.754617994e+02 1.32 1.637069621e+02 1.637069621e+02 1.34 1.527634272e+02 1.527634272e+02 1.36 1.425681627e+02 1.425681627e+02 1.38 1.330628464e+02 1.330628464e+02 1.40 1.241939057e+02 1.241939057e+02 1.42 1.159128666e+02 1.159128666e+02 1.44 1.081764011e+02 1.081764011e+02 1.46 1.009459128e+02 1.009459128e+02 1.48 9.418678027e+01 9.418678027e+01 1.50 8.786738566e+01 8.786738566e+01 1.52 8.195820412e+01 8.195820412e+01 1.54 7.643122834e+01 7.643122834e+01 1.56 7.125977194e+01 7.125977194e+01 1.58 6.641851992e+01 6.641851992e+01 1.60 6.188369759e+01 6.188369759e+01 1.62 5.763353201e+01 5.763353201e+01 1.64 5.365421905e+01 5.365421905e+01 1.66 4.993034940e+01 4.993034940e+01 1.68 4.644739568e+01 4.644739568e+01 1.70 4.319102076e+01 4.319102076e+01 1.72 4.014619521e+01 4.014619521e+01 1.74 3.729854564e+01 3.729854564e+01 1.76 3.463429986e+01 3.463429986e+01 1.78 3.214038984e+01 3.214038984e+01 1.80 2.980463400e+01 2.980463400e+01 1.82 2.761591033e+01 2.761591033e+01 1.84 2.556423104e+01 2.556423104e+01 1.86 2.364067802e+01 2.364067802e+01 1.88 2.183724881e+01 2.183724881e+01 1.90 2.014666570e+01 2.014666570e+01 1.92 1.856220959e+01 1.856220959e+01 1.94 1.707760211e+01 1.707760211e+01 1.96 1.568693693e+01 1.568693693e+01 1.98 1.438464622e+01 1.438464622e+01 2.00 1.316547619e+01 1.316547619e+01 2.02 1.202446125e+01 1.202446125e+01 2.04 1.095689642e+01 1.095689642e+01 2.06 9.958313932e+00 9.958313932e+00 2.08 9.024463987e+00 9.024463987e+00 2.10 8.151301516e+00 8.151301516e+00 2.12 7.334976835e+00 7.334976835e+00 2.14 6.571833047e+00 6.571833047e+00 2.16 5.858412182e+00 5.858412182e+00 2.18 5.191469269e+00 5.191469269e+00 2.20 4.567988191e+00 4.567988191e+00 2.22 3.985195388e+00 3.985195388e+00 2.24 3.440561877e+00 3.440561877e+00 2.26 2.931792075e+00 2.931792075e+00 2.28 2.456799137e+00 2.456799137e+00 2.30 2.013679876e+00 2.013679876e+00 2.32 1.600682772e+00 1.600682772e+00 2.34 1.216186490e+00 1.216186490e+00 2.36 8.586773010e-01 8.586773010e-01 2.38 5.267323254e-01 5.267323254e-01 2.40 2.190041673e-01 2.190041673e-01 2.42 -6.579346268e-02 -6.579346268e-02 2.44 -3.288995550e-01 -3.288995550e-01 2.46 -5.715176611e-01 -5.715176611e-01 2.48 -7.948248709e-01 -7.948248709e-01 2.50 -9.999771471e-01 -9.999771471e-01 2.52 -1.188112091e+00 -1.188112091e+00 2.54 -1.360351498e+00 -1.360351498e+00 2.56 -1.517805447e+00 -1.517805447e+00 2.58 -1.661576601e+00 -1.661576601e+00 2.60 -1.792759646e+00 -1.792759646e+00 2.62 -1.912429428e+00 -1.912429428e+00 2.64 -2.021617848e+00 -2.021617848e+00 2.66 -2.121278371e+00 -2.121278371e+00 2.68 -2.212256738e+00 -2.212256738e+00 2.70 -2.295271613e+00 -2.295271613e+00 2.72 -2.370968473e+00 -2.370968473e+00 2.74 -2.440842603e+00 -2.440842603e+00 2.76 -2.505295897e+00 -2.505295897e+00 2.78 -2.564235622e+00 -2.564235622e+00 2.80 -2.617600091e+00 -2.617600091e+00 2.82 -2.665359173e+00 -2.665359173e+00 2.84 -2.707514065e+00 -2.707514065e+00 2.86 -2.744094283e+00 -2.744094283e+00 2.88 -2.775154532e+00 -2.775154532e+00 2.90 -2.800815888e+00 -2.800815888e+00 2.92 -2.821215384e+00 -2.821215384e+00 2.94 -2.836450972e+00 -2.836450972e+00 2.96 -2.846660165e+00 -2.846660165e+00 2.98 -2.852024872e+00 -2.852024872e+00 3.00 -2.852778267e+00 -2.852778267e+00 3.02 -2.849209466e+00 -2.849209466e+00 3.04 -2.841662555e+00 -2.841662555e+00 3.06 -2.830530708e+00 -2.830530708e+00 3.08 -2.816236890e+00 -2.816236890e+00 3.10 -2.799214930e+00 -2.799214930e+00 3.12 -2.779886734e+00 -2.779886734e+00 3.14 -2.758639567e+00 -2.758639567e+00 3.16 -2.735806152e+00 -2.735806152e+00 3.18 -2.711660210e+00 -2.711660210e+00 3.20 -2.686416249e+00 -2.686416249e+00 3.22 -2.660251350e+00 -2.660251350e+00 3.24 -2.633288192e+00 -2.633288192e+00 3.26 -2.605590580e+00 -2.605590580e+00 3.28 -2.577199479e+00 -2.577199479e+00 3.30 -2.548140593e+00 -2.548140593e+00 3.32 -2.518430750e+00 -2.518430750e+00 3.34 -2.488083143e+00 -2.488083143e+00 3.36 -2.457111483e+00 -2.457111483e+00 3.38 -2.425533101e+00 -2.425533101e+00 3.40 -2.393370939e+00 -2.393370939e+00 3.42 -2.360655157e+00 -2.360655157e+00 3.44 -2.327420757e+00 -2.327420757e+00 3.46 -2.293706457e+00 -2.293706457e+00 3.48 -2.259557800e+00 -2.259557800e+00 3.50 -2.225026025e+00 -2.225026025e+00 3.52 -2.190166479e+00 -2.190166479e+00 3.54 -2.155036962e+00 -2.155036962e+00 3.56 -2.119696159e+00 -2.119696159e+00 3.58 -2.084202245e+00 -2.084202245e+00 3.60 -2.048611739e+00 -2.048611739e+00 3.62 -2.012978613e+00 -2.012978613e+00 3.64 -1.977353656e+00 -1.977353656e+00 3.66 -1.941784023e+00 -1.941784023e+00 3.68 -1.906312919e+00 -1.906312919e+00 3.70 -1.870979339e+00 -1.870979339e+00 3.72 -1.835817802e+00 -1.835817802e+00 3.74 -1.800858057e+00 -1.800858057e+00 3.76 -1.766124775e+00 -1.766124775e+00 3.78 -1.731637267e+00 -1.731637267e+00 3.80 -1.697409323e+00 -1.697409323e+00 3.82 -1.663449234e+00 -1.663449234e+00 3.84 -1.629760059e+00 -1.629760059e+00 3.86 -1.596340133e+00 -1.596340133e+00 3.88 -1.563183787e+00 -1.563183787e+00 3.90 -1.530282189e+00 -1.530282189e+00 3.92 -1.497623888e+00 -1.497623888e+00 3.94 -1.465196975e+00 -1.465196975e+00 3.96 -1.432987622e+00 -1.432987622e+00 3.98 -1.400982097e+00 -1.400982097e+00 4.00 -1.369166734e+00 -1.369166734e+00 4.02 -1.337528202e+00 -1.337528202e+00 4.04 -1.306053749e+00 -1.306053749e+00 4.06 -1.274731496e+00 -1.274731496e+00 4.08 -1.243550894e+00 -1.243550894e+00 4.10 -1.212502332e+00 -1.212502332e+00 4.12 -1.181582489e+00 -1.181582489e+00 4.14 -1.150788611e+00 -1.150788611e+00 4.16 -1.120124823e+00 -1.120124823e+00 4.18 -1.089602412e+00 -1.089602412e+00 4.20 -1.059241365e+00 -1.059241365e+00 4.22 -1.029071647e+00 -1.029071647e+00 4.24 -9.991339759e-01 -9.991339759e-01 4.26 -9.694798294e-01 -9.694798294e-01 4.28 -9.401705014e-01 -9.401705014e-01 4.30 -9.112750933e-01 -9.112750933e-01 4.32 -8.828674934e-01 -8.828674934e-01 4.34 -8.550225507e-01 -8.550225507e-01 4.36 -8.278118034e-01 -8.278118034e-01 4.38 -8.012992148e-01 -8.012992148e-01 4.40 -7.755373864e-01 -7.755373864e-01 4.42 -7.505646498e-01 -7.505646498e-01 4.44 -7.264032932e-01 -7.264032932e-01 4.46 -7.030590088e-01 -7.030590088e-01 4.48 -6.805214699e-01 -6.805214699e-01 4.50 -6.587658245e-01 -6.587658245e-01 4.52 -6.377548138e-01 -6.377548138e-01 4.54 -6.174412175e-01 -6.174412175e-01 4.56 -5.977703624e-01 -5.977703624e-01 4.58 -5.786824979e-01 -5.786824979e-01 4.60 -5.601149153e-01 -5.601149153e-01 4.62 -5.420037591e-01 -5.420037591e-01 4.64 -5.242855373e-01 -5.242855373e-01 4.66 -5.068983714e-01 -5.068983714e-01 4.68 -4.897830567e-01 -4.897830567e-01 4.70 -4.728840043e-01 -4.728840043e-01 4.72 -4.561501375e-01 -4.561501375e-01 4.74 -4.395358006e-01 -4.395358006e-01 4.76 -4.230017192e-01 -4.230017192e-01 4.78 -4.065160259e-01 -4.065160259e-01 4.80 -3.900546234e-01 -3.900546234e-01 4.82 -3.736052361e-01 -3.736052361e-01 4.84 -3.571637854e-01 -3.571637854e-01 4.86 -3.407384528e-01 -3.407384528e-01 4.88 -3.243493683e-01 -3.243493683e-01 4.90 -3.080287105e-01 -3.080287105e-01 4.92 -2.918202528e-01 -2.918202528e-01 4.94 -2.757782674e-01 -2.757782674e-01 4.96 -2.599657545e-01 -2.599657545e-01 4.98 -2.444520341e-01 -2.444520341e-01 5.00 -2.293098207e-01 -2.293098207e-01 5.02 -2.146119708e-01 -2.146119708e-01 5.04 -2.004281515e-01 -2.004281515e-01 5.06 -1.868216988e-01 -1.868216988e-01 5.08 -1.738469199e-01 -1.738469199e-01 5.10 -1.615470445e-01 -1.615470445e-01 5.12 -1.499529512e-01 -1.499529512e-01 5.14 -1.390827045e-01 -1.390827045e-01 5.16 -1.289418559e-01 -1.289418559e-01 5.18 -1.195243858e-01 -1.195243858e-01 5.20 -1.108141261e-01 -1.108141261e-01 5.22 -1.027864793e-01 -1.027864793e-01 5.24 -9.541025594e-02 -9.541025594e-02 5.26 -8.864949870e-02 -8.864949870e-02 5.28 -8.246516614e-02 -8.246516614e-02 5.30 -7.681659731e-02 -7.681659731e-02 5.32 -7.166272927e-02 -7.166272927e-02 5.34 -6.696306287e-02 -6.696306287e-02 5.36 -6.267837924e-02 -6.267837924e-02 5.38 -5.877069784e-02 -5.877069784e-02 5.40 -5.520482639e-02 -5.520482639e-02 5.42 -5.194821328e-02 -5.194821328e-02 5.44 -4.897046863e-02 -4.897046863e-02 5.46 -4.624328231e-02 -4.624328231e-02 5.48 -4.374094090e-02 -4.374094090e-02 5.50 -4.143997223e-02 -4.143997223e-02 5.52 -3.931896607e-02 -3.931896607e-02 5.54 -3.735847978e-02 -3.735847978e-02 5.56 -3.554092320e-02 -3.554092320e-02 5.58 -3.385043261e-02 -3.385043261e-02 5.60 -3.227274014e-02 -3.227274014e-02 5.62 -3.079504415e-02 -3.079504415e-02 5.64 -2.940588171e-02 -2.940588171e-02 5.66 -2.809500874e-02 -2.809500874e-02 5.68 -2.685328817e-02 -2.685328817e-02 5.70 -2.567258682e-02 -2.567258682e-02 5.72 -2.454568212e-02 -2.454568212e-02 5.74 -2.346617912e-02 -2.346617912e-02 5.76 -2.242843787e-02 -2.242843787e-02 5.78 -2.142751085e-02 -2.142751085e-02 5.80 -2.045909010e-02 -2.045909010e-02 5.82 -1.951946316e-02 -1.951946316e-02 5.84 -1.860547690e-02 -1.860547690e-02 5.86 -1.771450792e-02 -1.771450792e-02 5.88 -1.684443793e-02 -1.684443793e-02 5.90 -1.599363260e-02 -1.599363260e-02 5.92 -1.516092166e-02 -1.516092166e-02 5.94 -1.434556417e-02 -1.434556417e-02 5.96 -1.354715616e-02 -1.354715616e-02 5.98 -1.276578930e-02 -1.276578930e-02 6.00 -1.200193665e-02 -1.200193665e-02