# 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 = MgPbZr2 # 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 4.908419260e+02 4.908419260e+02 1.30 4.582819113e+02 4.582819113e+02 1.32 4.280051212e+02 4.280051212e+02 1.34 3.998329745e+02 3.998329745e+02 1.36 3.736030575e+02 3.736030575e+02 1.38 3.491680842e+02 3.491680842e+02 1.40 3.263943617e+02 3.263943617e+02 1.42 3.051598785e+02 3.051598785e+02 1.44 2.853524104e+02 2.853524104e+02 1.46 2.668679607e+02 2.668679607e+02 1.48 2.496098867e+02 2.496098867e+02 1.50 2.334887358e+02 2.334887358e+02 1.52 2.184223639e+02 2.184223639e+02 1.54 2.043356391e+02 2.043356391e+02 1.56 1.911598060e+02 1.911598060e+02 1.58 1.788317256e+02 1.788317256e+02 1.60 1.672932261e+02 1.672932261e+02 1.62 1.564905524e+02 1.564905524e+02 1.64 1.463740011e+02 1.463740011e+02 1.66 1.368976075e+02 1.368976075e+02 1.68 1.280188433e+02 1.280188433e+02 1.70 1.196983245e+02 1.196983245e+02 1.72 1.118994181e+02 1.118994181e+02 1.74 1.045878929e+02 1.045878929e+02 1.76 9.773168614e+01 9.773168614e+01 1.78 9.130082845e+01 9.130082845e+01 1.80 8.526741123e+01 8.526741123e+01 1.82 7.960551745e+01 7.960551745e+01 1.84 7.429107502e+01 7.429107502e+01 1.86 6.930175512e+01 6.930175512e+01 1.88 6.461684095e+01 6.461684095e+01 1.90 6.021738479e+01 6.021738479e+01 1.92 5.608627002e+01 5.608627002e+01 1.94 5.220669650e+01 5.220669650e+01 1.96 4.856322296e+01 4.856322296e+01 1.98 4.514519040e+01 4.514519040e+01 2.00 4.193943082e+01 4.193943082e+01 2.02 3.893260896e+01 3.893260896e+01 2.04 3.611232910e+01 3.611232910e+01 2.06 3.346704966e+01 3.346704966e+01 2.08 3.098600218e+01 3.098600218e+01 2.10 2.865913969e+01 2.865913969e+01 2.12 2.647707759e+01 2.647707759e+01 2.14 2.443104948e+01 2.443104948e+01 2.16 2.251286794e+01 2.251286794e+01 2.18 2.071487060e+01 2.071487060e+01 2.20 1.902987402e+01 1.902987402e+01 2.22 1.745110783e+01 1.745110783e+01 2.24 1.597217416e+01 1.597217416e+01 2.26 1.458703428e+01 1.458703428e+01 2.28 1.328999656e+01 1.328999656e+01 2.30 1.207574949e+01 1.207574949e+01 2.32 1.093932308e+01 1.093932308e+01 2.34 9.876077952e+00 9.876077952e+00 2.36 8.881653547e+00 8.881653547e+00 2.38 7.951931446e+00 7.951931446e+00 2.40 7.083005109e+00 7.083005109e+00 2.42 6.271152779e+00 6.271152779e+00 2.44 5.512832923e+00 5.512832923e+00 2.46 4.804675056e+00 4.804675056e+00 2.48 4.143487525e+00 4.143487525e+00 2.50 3.526268969e+00 3.526268969e+00 2.52 2.950218605e+00 2.950218605e+00 2.54 2.412739943e+00 2.412739943e+00 2.56 1.911436151e+00 1.911436151e+00 2.58 1.444098149e+00 1.444098149e+00 2.60 1.008687280e+00 1.008687280e+00 2.62 6.033167918e-01 6.033167918e-01 2.64 2.262207478e-01 2.262207478e-01 2.66 -1.242511173e-01 -1.242511173e-01 2.68 -4.496611931e-01 -4.496611931e-01 2.70 -7.514987012e-01 -7.514987012e-01 2.72 -1.031288208e+00 -1.031288208e+00 2.74 -1.290321191e+00 -1.290321191e+00 2.76 -1.529770319e+00 -1.529770319e+00 2.78 -1.750761429e+00 -1.750761429e+00 2.80 -1.954377349e+00 -1.954377349e+00 2.82 -2.141633892e+00 -2.141633892e+00 2.84 -2.313491546e+00 -2.313491546e+00 2.86 -2.470853436e+00 -2.470853436e+00 2.88 -2.614546820e+00 -2.614546820e+00 2.90 -2.745165199e+00 -2.745165199e+00 2.92 -2.863210003e+00 -2.863210003e+00 2.94 -2.969199516e+00 -2.969199516e+00 2.96 -3.063664147e+00 -3.063664147e+00 2.98 -3.147141019e+00 -3.147141019e+00 3.00 -3.220169056e+00 -3.220169056e+00 3.02 -3.283284769e+00 -3.283284769e+00 3.04 -3.337014550e+00 -3.337014550e+00 3.06 -3.381891817e+00 -3.381891817e+00 3.08 -3.418426272e+00 -3.418426272e+00 3.10 -3.447126495e+00 -3.447126495e+00 3.12 -3.468492880e+00 -3.468492880e+00 3.14 -3.483032056e+00 -3.483032056e+00 3.16 -3.491237164e+00 -3.491237164e+00 3.18 -3.493600945e+00 -3.493600945e+00 3.20 -3.490608466e+00 -3.490608466e+00 3.22 -3.482732571e+00 -3.482732571e+00 3.24 -3.470429418e+00 -3.470429418e+00 3.26 -3.454135109e+00 -3.454135109e+00 3.28 -3.434263544e+00 -3.434263544e+00 3.30 -3.411204787e+00 -3.411204787e+00 3.32 -3.385322911e+00 -3.385322911e+00 3.34 -3.356952859e+00 -3.356952859e+00 3.36 -3.326396810e+00 -3.326396810e+00 3.38 -3.293921256e+00 -3.293921256e+00 3.40 -3.259754330e+00 -3.259754330e+00 3.42 -3.224094893e+00 -3.224094893e+00 3.44 -3.187104868e+00 -3.187104868e+00 3.46 -3.148923048e+00 -3.148923048e+00 3.48 -3.109668639e+00 -3.109668639e+00 3.50 -3.069446428e+00 -3.069446428e+00 3.52 -3.028350829e+00 -3.028350829e+00 3.54 -2.986468711e+00 -2.986468711e+00 3.56 -2.943881155e+00 -2.943881155e+00 3.58 -2.900664452e+00 -2.900664452e+00 3.60 -2.856890626e+00 -2.856890626e+00 3.62 -2.812627768e+00 -2.812627768e+00 3.64 -2.767940400e+00 -2.767940400e+00 3.66 -2.722890010e+00 -2.722890010e+00 3.68 -2.677536244e+00 -2.677536244e+00 3.70 -2.631959986e+00 -2.631959986e+00 3.72 -2.586216793e+00 -2.586216793e+00 3.74 -2.540348145e+00 -2.540348145e+00 3.76 -2.494403981e+00 -2.494403981e+00 3.78 -2.448444294e+00 -2.448444294e+00 3.80 -2.402540404e+00 -2.402540404e+00 3.82 -2.356775453e+00 -2.356775453e+00 3.84 -2.311243966e+00 -2.311243966e+00 3.86 -2.266060798e+00 -2.266060798e+00 3.88 -2.221330153e+00 -2.221330153e+00 3.90 -2.177147022e+00 -2.177147022e+00 3.92 -2.133592468e+00 -2.133592468e+00 3.94 -2.090747420e+00 -2.090747420e+00 3.96 -2.048664862e+00 -2.048664862e+00 3.98 -2.007383699e+00 -2.007383699e+00 4.00 -1.966923715e+00 -1.966923715e+00 4.02 -1.927287105e+00 -1.927287105e+00 4.04 -1.888461468e+00 -1.888461468e+00 4.06 -1.850420817e+00 -1.850420817e+00 4.08 -1.813120199e+00 -1.813120199e+00 4.10 -1.776503281e+00 -1.776503281e+00 4.12 -1.740536738e+00 -1.740536738e+00 4.14 -1.705168799e+00 -1.705168799e+00 4.16 -1.670360426e+00 -1.670360426e+00 4.18 -1.636077750e+00 -1.636077750e+00 4.20 -1.602292099e+00 -1.602292099e+00 4.22 -1.568979756e+00 -1.568979756e+00 4.24 -1.536121555e+00 -1.536121555e+00 4.26 -1.503702397e+00 -1.503702397e+00 4.28 -1.471710757e+00 -1.471710757e+00 4.30 -1.440138205e+00 -1.440138205e+00 4.32 -1.408978972e+00 -1.408978972e+00 4.34 -1.378229560e+00 -1.378229560e+00 4.36 -1.347888398e+00 -1.347888398e+00 4.38 -1.317955529e+00 -1.317955529e+00 4.40 -1.288432331e+00 -1.288432331e+00 4.42 -1.259321254e+00 -1.259321254e+00 4.44 -1.230625558e+00 -1.230625558e+00 4.46 -1.202349079e+00 -1.202349079e+00 4.48 -1.174495983e+00 -1.174495983e+00 4.50 -1.147070542e+00 -1.147070542e+00 4.52 -1.120076921e+00 -1.120076921e+00 4.54 -1.093518985e+00 -1.093518985e+00 4.56 -1.067400132e+00 -1.067400132e+00 4.58 -1.041723155e+00 -1.041723155e+00 4.60 -1.016490135e+00 -1.016490135e+00 4.62 -9.917023761e-01 -9.917023761e-01 4.64 -9.673603649e-01 -9.673603649e-01 4.66 -9.434637724e-01 -9.434637724e-01 4.68 -9.200114783e-01 -9.200114783e-01 4.70 -8.970016201e-01 -8.970016201e-01 4.72 -8.744316588e-01 -8.744316588e-01 4.74 -8.522984533e-01 -8.522984533e-01 4.76 -8.305983367e-01 -8.305983367e-01 4.78 -8.093271878e-01 -8.093271878e-01 4.80 -7.884737053e-01 -7.884737053e-01 4.82 -7.680477398e-01 -7.680477398e-01 4.84 -7.480359965e-01 -7.480359965e-01 4.86 -7.284330351e-01 -7.284330351e-01 4.88 -7.092331122e-01 -7.092331122e-01 4.90 -6.904301740e-01 -6.904301740e-01 4.92 -6.720178419e-01 -6.720178419e-01 4.94 -6.539893966e-01 -6.539893966e-01 4.96 -6.363377645e-01 -6.363377645e-01 4.98 -6.190555102e-01 -6.190555102e-01 5.00 -6.021348391e-01 -6.021348391e-01 5.02 -5.855676123e-01 -5.855676123e-01 5.04 -5.693453759e-01 -5.693453759e-01 5.06 -5.534594056e-01 -5.534594056e-01 5.08 -5.379007671e-01 -5.379007671e-01 5.10 -5.226603934e-01 -5.226603934e-01 5.12 -5.077291768e-01 -5.077291768e-01 5.14 -4.930980766e-01 -4.930980766e-01 5.16 -4.787582411e-01 -4.787582411e-01 5.18 -4.647011431e-01 -4.647011431e-01 5.20 -4.509187274e-01 -4.509187274e-01 5.22 -4.374035700e-01 -4.374035700e-01 5.24 -4.241490476e-01 -4.241490476e-01 5.26 -4.111495139e-01 -4.111495139e-01 5.28 -3.984004800e-01 -3.984004800e-01 5.30 -3.858987924e-01 -3.858987924e-01 5.32 -3.736427978e-01 -3.736427978e-01 5.34 -3.616324823e-01 -3.616324823e-01 5.36 -3.498695645e-01 -3.498695645e-01 5.38 -3.383575223e-01 -3.383575223e-01 5.40 -3.271015293e-01 -3.271015293e-01 5.42 -3.161082804e-01 -3.161082804e-01 5.44 -3.053856944e-01 -3.053856944e-01 5.46 -2.949424905e-01 -2.949424905e-01 5.48 -2.847876555e-01 -2.847876555e-01 5.50 -2.749298308e-01 -2.749298308e-01 5.52 -2.653766664e-01 -2.653766664e-01 5.54 -2.561341982e-01 -2.561341982e-01 5.56 -2.472063023e-01 -2.472063023e-01 5.58 -2.385942792e-01 -2.385942792e-01 5.60 -2.302965992e-01 -2.302965992e-01 5.62 -2.223088255e-01 -2.223088255e-01 5.64 -2.146237078e-01 -2.146237078e-01 5.66 -2.072314239e-01 -2.072314239e-01 5.68 -2.001199330e-01 -2.001199330e-01 5.70 -1.932753985e-01 -1.932753985e-01 5.72 -1.866826423e-01 -1.866826423e-01 5.74 -1.803255913e-01 -1.803255913e-01 5.76 -1.741876935e-01 -1.741876935e-01 5.78 -1.682522828e-01 -1.682522828e-01 5.80 -1.625028853e-01 -1.625028853e-01 5.82 -1.569234653e-01 -1.569234653e-01 5.84 -1.514986146e-01 -1.514986146e-01 5.86 -1.462136922e-01 -1.462136922e-01 5.88 -1.410549235e-01 -1.410549235e-01 5.90 -1.360094687e-01 -1.360094687e-01 5.92 -1.310654684e-01 -1.310654684e-01 5.94 -1.262120749e-01 -1.262120749e-01 5.96 -1.214394753e-01 -1.214394753e-01 5.98 -1.167389129e-01 -1.167389129e-01 6.00 -1.121027095e-01 -1.121027095e-01