# 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 = MoPtTi2 # 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 3.404744987e+02 3.404744987e+02 1.30 3.166335014e+02 3.166335014e+02 1.32 2.944460297e+02 2.944460297e+02 1.34 2.738131156e+02 2.738131156e+02 1.36 2.546439598e+02 2.546439598e+02 1.38 2.368440214e+02 2.368440214e+02 1.40 2.203114485e+02 2.203114485e+02 1.42 2.049411695e+02 2.049411695e+02 1.44 1.906315429e+02 1.906315429e+02 1.46 1.772897767e+02 1.772897767e+02 1.48 1.648348092e+02 1.648348092e+02 1.50 1.531973702e+02 1.531973702e+02 1.52 1.423177213e+02 1.423177213e+02 1.54 1.321425871e+02 1.321425871e+02 1.56 1.226227337e+02 1.226227337e+02 1.58 1.137116067e+02 1.137116067e+02 1.60 1.053648596e+02 1.053648596e+02 1.62 9.754061834e+01 9.754061834e+01 1.64 9.020029789e+01 9.020029789e+01 1.66 8.330965180e+01 8.330965180e+01 1.68 7.683965190e+01 7.683965190e+01 1.70 7.076670541e+01 7.076670541e+01 1.72 6.507171378e+01 6.507171378e+01 1.74 5.973790824e+01 5.973790824e+01 1.76 5.474828771e+01 5.474828771e+01 1.78 5.008394825e+01 5.008394825e+01 1.80 4.572395776e+01 4.572395776e+01 1.82 4.164636975e+01 4.164636975e+01 1.84 3.782955153e+01 3.782955153e+01 1.86 3.425698193e+01 3.425698193e+01 1.88 3.095126204e+01 3.095126204e+01 1.90 2.790411990e+01 2.790411990e+01 1.92 2.509390994e+01 2.509390994e+01 1.94 2.250154350e+01 2.250154350e+01 1.96 2.011003522e+01 2.011003522e+01 1.98 1.790408637e+01 1.790408637e+01 2.00 1.586975248e+01 1.586975248e+01 2.02 1.399420696e+01 1.399420696e+01 2.04 1.226557818e+01 1.226557818e+01 2.06 1.067283888e+01 1.067283888e+01 2.08 9.205738620e+00 9.205738620e+00 2.10 7.854764695e+00 7.854764695e+00 2.12 6.611106532e+00 6.611106532e+00 2.14 5.466612832e+00 5.466612832e+00 2.16 4.413750163e+00 4.413750163e+00 2.18 3.445574873e+00 3.445574873e+00 2.20 2.555715352e+00 2.555715352e+00 2.22 1.738350283e+00 1.738350283e+00 2.24 9.881750486e-01 9.881750486e-01 2.26 3.003586453e-01 3.003586453e-01 2.28 -3.295032843e-01 -3.295032843e-01 2.30 -9.054369330e-01 -9.054369330e-01 2.32 -1.431142943e+00 -1.431142943e+00 2.34 -1.910049233e+00 -1.910049233e+00 2.36 -2.345358288e+00 -2.345358288e+00 2.38 -2.740084093e+00 -2.740084093e+00 2.40 -3.097079438e+00 -3.097079438e+00 2.42 -3.419055999e+00 -3.419055999e+00 2.44 -3.708597919e+00 -3.708597919e+00 2.46 -3.968169781e+00 -3.968169781e+00 2.48 -4.200119796e+00 -4.200119796e+00 2.50 -4.406679222e+00 -4.406679222e+00 2.52 -4.589956591e+00 -4.589956591e+00 2.54 -4.751923923e+00 -4.751923923e+00 2.56 -4.894394670e+00 -4.894394670e+00 2.58 -5.018999007e+00 -5.018999007e+00 2.60 -5.127166534e+00 -5.127166534e+00 2.62 -5.220125197e+00 -5.220125197e+00 2.64 -5.298954719e+00 -5.298954719e+00 2.66 -5.365622544e+00 -5.365622544e+00 2.68 -5.421062603e+00 -5.421062603e+00 2.70 -5.465608111e+00 -5.465608111e+00 2.72 -5.499709205e+00 -5.499709205e+00 2.74 -5.523804697e+00 -5.523804697e+00 2.76 -5.538326009e+00 -5.538326009e+00 2.78 -5.543767998e+00 -5.543767998e+00 2.80 -5.540550174e+00 -5.540550174e+00 2.82 -5.528998292e+00 -5.528998292e+00 2.84 -5.509454450e+00 -5.509454450e+00 2.86 -5.482266081e+00 -5.482266081e+00 2.88 -5.447700905e+00 -5.447700905e+00 2.90 -5.406048059e+00 -5.406048059e+00 2.92 -5.357685591e+00 -5.357685591e+00 2.94 -5.303088104e+00 -5.303088104e+00 2.96 -5.242771313e+00 -5.242771313e+00 2.98 -5.177222954e+00 -5.177222954e+00 3.00 -5.107016346e+00 -5.107016346e+00 3.02 -5.032793120e+00 -5.032793120e+00 3.04 -4.955215671e+00 -4.955215671e+00 3.06 -4.874917344e+00 -4.874917344e+00 3.08 -4.792457614e+00 -4.792457614e+00 3.10 -4.708291047e+00 -4.708291047e+00 3.12 -4.622753417e+00 -4.622753417e+00 3.14 -4.536065907e+00 -4.536065907e+00 3.16 -4.448351773e+00 -4.448351773e+00 3.18 -4.359661438e+00 -4.359661438e+00 3.20 -4.269998592e+00 -4.269998592e+00 3.22 -4.179343933e+00 -4.179343933e+00 3.24 -4.087674489e+00 -4.087674489e+00 3.26 -3.994978258e+00 -3.994978258e+00 3.28 -3.901264808e+00 -3.901264808e+00 3.30 -3.806572778e+00 -3.806572778e+00 3.32 -3.710975118e+00 -3.710975118e+00 3.34 -3.614603457e+00 -3.614603457e+00 3.36 -3.517672622e+00 -3.517672622e+00 3.38 -3.420425043e+00 -3.420425043e+00 3.40 -3.323124485e+00 -3.323124485e+00 3.42 -3.226056423e+00 -3.226056423e+00 3.44 -3.129525069e+00 -3.129525069e+00 3.46 -3.033848139e+00 -3.033848139e+00 3.48 -2.939349496e+00 -2.939349496e+00 3.50 -2.846350404e+00 -2.846350404e+00 3.52 -2.755159833e+00 -2.755159833e+00 3.54 -2.666064309e+00 -2.666064309e+00 3.56 -2.579317826e+00 -2.579317826e+00 3.58 -2.495132558e+00 -2.495132558e+00 3.60 -2.413671323e+00 -2.413671323e+00 3.62 -2.335042802e+00 -2.335042802e+00 3.64 -2.259300289e+00 -2.259300289e+00 3.66 -2.186444204e+00 -2.186444204e+00 3.68 -2.116427956e+00 -2.116427956e+00 3.70 -2.049166166e+00 -2.049166166e+00 3.72 -1.984544055e+00 -1.984544055e+00 3.74 -1.922426808e+00 -1.922426808e+00 3.76 -1.862668068e+00 -1.862668068e+00 3.78 -1.805117025e+00 -1.805117025e+00 3.80 -1.749623928e+00 -1.749623928e+00 3.82 -1.696044060e+00 -1.696044060e+00 3.84 -1.644240361e+00 -1.644240361e+00 3.86 -1.594084943e+00 -1.594084943e+00 3.88 -1.545459762e+00 -1.545459762e+00 3.90 -1.498256687e+00 -1.498256687e+00 3.92 -1.452377152e+00 -1.452377152e+00 3.94 -1.407731882e+00 -1.407731882e+00 3.96 -1.364240095e+00 -1.364240095e+00 3.98 -1.321829374e+00 -1.321829374e+00 4.00 -1.280435469e+00 -1.280435469e+00 4.02 -1.240002444e+00 -1.240002444e+00 4.04 -1.200483077e+00 -1.200483077e+00 4.06 -1.161839484e+00 -1.161839484e+00 4.08 -1.124043841e+00 -1.124043841e+00 4.10 -1.087078909e+00 -1.087078909e+00 4.12 -1.050938902e+00 -1.050938902e+00 4.14 -1.015628571e+00 -1.015628571e+00 4.16 -9.811629238e-01 -9.811629238e-01 4.18 -9.475654222e-01 -9.475654222e-01 4.20 -9.148655043e-01 -9.148655043e-01 4.22 -8.830954151e-01 -8.830954151e-01 4.24 -8.522866274e-01 -8.522866274e-01 4.26 -8.224662315e-01 -8.224662315e-01 4.28 -7.936537005e-01 -7.936537005e-01 4.30 -7.658583894e-01 -7.658583894e-01 4.32 -7.390780051e-01 -7.390780051e-01 4.34 -7.132981263e-01 -7.132981263e-01 4.36 -6.884926961e-01 -6.884926961e-01 4.38 -6.646252916e-01 -6.646252916e-01 4.40 -6.416509075e-01 -6.416509075e-01 4.42 -6.195179849e-01 -6.195179849e-01 4.44 -5.981704538e-01 -5.981704538e-01 4.46 -5.775496176e-01 -5.775496176e-01 4.48 -5.575957831e-01 -5.575957831e-01 4.50 -5.382495977e-01 -5.382495977e-01 4.52 -5.194531115e-01 -5.194531115e-01 4.54 -5.011506079e-01 -5.011506079e-01 4.56 -4.832892688e-01 -4.832892688e-01 4.58 -4.658197413e-01 -4.658197413e-01 4.60 -4.486966665e-01 -4.486966665e-01 4.62 -4.318792205e-01 -4.318792205e-01 4.64 -4.153316966e-01 -4.153316966e-01 4.66 -3.990241390e-01 -3.990241390e-01 4.68 -3.829330131e-01 -3.829330131e-01 4.70 -3.670418739e-01 -3.670418739e-01 4.72 -3.513419719e-01 -3.513419719e-01 4.74 -3.358327172e-01 -3.358327172e-01 4.76 -3.205219123e-01 -3.205219123e-01 4.78 -3.054256670e-01 -3.054256670e-01 4.80 -2.905678432e-01 -2.905678432e-01 4.82 -2.759794953e-01 -2.759794953e-01 4.84 -2.616970151e-01 -2.616970151e-01 4.86 -2.477608237e-01 -2.477608237e-01 4.88 -2.342133382e-01 -2.342133382e-01 4.90 -2.210969277e-01 -2.210969277e-01 4.92 -2.084519212e-01 -2.084519212e-01 4.94 -1.963148156e-01 -1.963148156e-01 4.96 -1.847168010e-01 -1.847168010e-01 4.98 -1.736826734e-01 -1.736826734e-01 5.00 -1.632301513e-01 -1.632301513e-01 5.02 -1.533695746e-01 -1.533695746e-01 5.04 -1.441039316e-01 -1.441039316e-01 5.06 -1.354291539e-01 -1.354291539e-01 5.08 -1.273346200e-01 -1.273346200e-01 5.10 -1.198038183e-01 -1.198038183e-01 5.12 -1.128151299e-01 -1.128151299e-01 5.14 -1.063426985e-01 -1.063426985e-01 5.16 -1.003573477e-01 -1.003573477e-01 5.18 -9.482751861e-02 -9.482751861e-02 5.20 -8.972018235e-02 -8.972018235e-02 5.22 -8.500168414e-02 -8.500168414e-02 5.24 -8.063804421e-02 -8.063804421e-02 5.26 -7.659663574e-02 -7.659663574e-02 5.28 -7.284635025e-02 -7.284635025e-02 5.30 -6.935754685e-02 -6.935754685e-02 5.32 -6.610237918e-02 -6.610237918e-02 5.34 -6.305498438e-02 -6.305498438e-02 5.36 -6.019156216e-02 -6.019156216e-02 5.38 -5.749037092e-02 -5.749037092e-02 5.40 -5.493166613e-02 -5.493166613e-02 5.42 -5.249760239e-02 -5.249760239e-02 5.44 -5.017211709e-02 -5.017211709e-02 5.46 -4.794081009e-02 -4.794081009e-02 5.48 -4.579083021e-02 -4.579083021e-02 5.50 -4.371077661e-02 -4.371077661e-02 5.52 -4.169062012e-02 -4.169062012e-02 5.54 -3.972164750e-02 -3.972164750e-02 5.56 -3.779642908e-02 -3.779642908e-02 5.58 -3.590880818e-02 -3.590880818e-02 5.60 -3.405390838e-02 -3.405390838e-02 5.62 -3.222815247e-02 -3.222815247e-02 5.64 -3.042928479e-02 -3.042928479e-02 5.66 -2.865638616e-02 -2.865638616e-02 5.68 -2.690987234e-02 -2.690987234e-02 5.70 -2.519146003e-02 -2.519146003e-02 5.72 -2.350409153e-02 -2.350409153e-02 5.74 -2.185180976e-02 -2.185180976e-02 5.76 -2.023957872e-02 -2.023957872e-02 5.78 -1.867304953e-02 -1.867304953e-02 5.80 -1.715828424e-02 -1.715828424e-02 5.82 -1.570144775e-02 -1.570144775e-02 5.84 -1.430848722e-02 -1.430848722e-02 5.86 -1.298482362e-02 -1.298482362e-02 5.88 -1.173507784e-02 -1.173507784e-02 5.90 -1.056285120e-02 -1.056285120e-02 5.92 -9.470675207e-03 -9.470675207e-03 5.94 -8.459971453e-03 -8.459971453e-03 5.96 -7.530514067e-03 -7.530514067e-03 5.98 -6.680931035e-03 -6.680931035e-03 6.00 -5.908850460e-03 -5.908850460e-03