# 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 = Mo2PdTi # 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 3.223392087e+02 3.223392087e+02 1.30 2.988417324e+02 2.988417324e+02 1.32 2.770781398e+02 2.770781398e+02 1.34 2.569036453e+02 2.569036453e+02 1.36 2.381881208e+02 2.381881208e+02 1.38 2.208144895e+02 2.208144895e+02 1.40 2.046771519e+02 2.046771519e+02 1.42 1.896804002e+02 1.896804002e+02 1.44 1.757371921e+02 1.757371921e+02 1.46 1.627683736e+02 1.627683736e+02 1.48 1.507020201e+02 1.507020201e+02 1.50 1.394727123e+02 1.394727123e+02 1.52 1.290208257e+02 1.290208257e+02 1.54 1.192918537e+02 1.192918537e+02 1.56 1.102356923e+02 1.102356923e+02 1.58 1.018059110e+02 1.018059110e+02 1.60 9.395911706e+01 9.395911706e+01 1.62 8.665451333e+01 8.665451333e+01 1.64 7.985366371e+01 7.985366371e+01 1.66 7.352038703e+01 7.352038703e+01 1.68 6.762069871e+01 6.762069871e+01 1.70 6.212279044e+01 6.212279044e+01 1.72 5.699709820e+01 5.699709820e+01 1.74 5.221649129e+01 5.221649129e+01 1.76 4.775649092e+01 4.775649092e+01 1.78 4.359532572e+01 4.359532572e+01 1.80 3.971374276e+01 3.971374276e+01 1.82 3.609785965e+01 3.609785965e+01 1.84 3.274207994e+01 3.274207994e+01 1.86 2.964088447e+01 2.964088447e+01 1.88 2.677662794e+01 2.677662794e+01 1.90 2.413235367e+01 2.413235367e+01 1.92 2.169197631e+01 2.169197631e+01 1.94 1.944037226e+01 1.944037226e+01 1.96 1.736343170e+01 1.736343170e+01 1.98 1.544806054e+01 1.544806054e+01 2.00 1.368212334e+01 1.368212334e+01 2.02 1.205433287e+01 1.205433287e+01 2.04 1.055411645e+01 1.055411645e+01 2.06 9.171502329e+00 9.171502329e+00 2.08 7.897059225e+00 7.897059225e+00 2.10 6.721897511e+00 6.721897511e+00 2.12 5.637717723e+00 5.637717723e+00 2.14 4.636878974e+00 4.636878974e+00 2.16 3.712460018e+00 3.712460018e+00 2.18 2.858289740e+00 2.858289740e+00 2.20 2.068932865e+00 2.068932865e+00 2.22 1.339628266e+00 1.339628266e+00 2.24 6.661907950e-01 6.661907950e-01 2.26 4.489614351e-02 4.489614351e-02 2.28 -5.276293359e-01 -5.276293359e-01 2.30 -1.054496285e+00 -1.054496285e+00 2.32 -1.538609734e+00 -1.538609734e+00 2.34 -1.982698509e+00 -1.982698509e+00 2.36 -2.389328703e+00 -2.389328703e+00 2.38 -2.760912630e+00 -2.760912630e+00 2.40 -3.099720744e+00 -3.099720744e+00 2.42 -3.407896759e+00 -3.407896759e+00 2.44 -3.687472071e+00 -3.687472071e+00 2.46 -3.940375468e+00 -3.940375468e+00 2.48 -4.168434835e+00 -4.168434835e+00 2.50 -4.373369536e+00 -4.373369536e+00 2.52 -4.556774863e+00 -4.556774863e+00 2.54 -4.720103696e+00 -4.720103696e+00 2.56 -4.864652930e+00 -4.864652930e+00 2.58 -4.991535496e+00 -4.991535496e+00 2.60 -5.101498725e+00 -5.101498725e+00 2.62 -5.195571512e+00 -5.195571512e+00 2.64 -5.274772353e+00 -5.274772353e+00 2.66 -5.340017973e+00 -5.340017973e+00 2.68 -5.392157015e+00 -5.392157015e+00 2.70 -5.431995760e+00 -5.431995760e+00 2.72 -5.460321047e+00 -5.460321047e+00 2.74 -5.477941155e+00 -5.477941155e+00 2.76 -5.485331177e+00 -5.485331177e+00 2.78 -5.482643786e+00 -5.482643786e+00 2.80 -5.470083150e+00 -5.470083150e+00 2.82 -5.447922418e+00 -5.447922418e+00 2.84 -5.416498625e+00 -5.416498625e+00 2.86 -5.376222001e+00 -5.376222001e+00 2.88 -5.327849645e+00 -5.327849645e+00 2.90 -5.271908786e+00 -5.271908786e+00 2.92 -5.208761552e+00 -5.208761552e+00 2.94 -5.138854291e+00 -5.138854291e+00 2.96 -5.062734900e+00 -5.062734900e+00 2.98 -4.981031580e+00 -4.981031580e+00 3.00 -4.894425629e+00 -4.894425629e+00 3.02 -4.803619427e+00 -4.803619427e+00 3.04 -4.709320265e+00 -4.709320265e+00 3.06 -4.612220700e+00 -4.612220700e+00 3.08 -4.512925484e+00 -4.512925484e+00 3.10 -4.411924767e+00 -4.411924767e+00 3.12 -4.309583863e+00 -4.309583863e+00 3.14 -4.206145877e+00 -4.206145877e+00 3.16 -4.101744813e+00 -4.101744813e+00 3.18 -3.996427045e+00 -3.996427045e+00 3.20 -3.890176428e+00 -3.890176428e+00 3.22 -3.782940335e+00 -3.782940335e+00 3.24 -3.674654486e+00 -3.674654486e+00 3.26 -3.565265602e+00 -3.565265602e+00 3.28 -3.454751483e+00 -3.454751483e+00 3.30 -3.343138356e+00 -3.343138356e+00 3.32 -3.230515230e+00 -3.230515230e+00 3.34 -3.117044745e+00 -3.117044745e+00 3.36 -3.002969809e+00 -3.002969809e+00 3.38 -2.888615204e+00 -2.888615204e+00 3.40 -2.774383491e+00 -2.774383491e+00 3.42 -2.660745017e+00 -2.660745017e+00 3.44 -2.548222104e+00 -2.548222104e+00 3.46 -2.437368664e+00 -2.437368664e+00 3.48 -2.328746575e+00 -2.328746575e+00 3.50 -2.222900856e+00 -2.222900856e+00 3.52 -2.120335700e+00 -2.120335700e+00 3.54 -2.021493258e+00 -2.021493258e+00 3.56 -1.926736717e+00 -1.926736717e+00 3.58 -1.836338741e+00 -1.836338741e+00 3.60 -1.750475876e+00 -1.750475876e+00 3.62 -1.669228976e+00 -1.669228976e+00 3.64 -1.592589193e+00 -1.592589193e+00 3.66 -1.520468527e+00 -1.520468527e+00 3.68 -1.452713523e+00 -1.452713523e+00 3.70 -1.389120494e+00 -1.389120494e+00 3.72 -1.329450752e+00 -1.329450752e+00 3.74 -1.273444604e+00 -1.273444604e+00 3.76 -1.220833332e+00 -1.220833332e+00 3.78 -1.171348788e+00 -1.171348788e+00 3.80 -1.124730589e+00 -1.124730589e+00 3.82 -1.080731153e+00 -1.080731153e+00 3.84 -1.039118908e+00 -1.039118908e+00 3.86 -9.996800745e-01 -9.996800745e-01 3.88 -9.622193983e-01 -9.622193983e-01 3.90 -9.265601484e-01 -9.265601484e-01 3.92 -8.925436349e-01 -8.925436349e-01 3.94 -8.600285746e-01 -8.600285746e-01 3.96 -8.288901036e-01 -8.288901036e-01 3.98 -7.990189918e-01 -7.990189918e-01 4.00 -7.703207237e-01 -7.703207237e-01 4.02 -7.427145900e-01 -7.427145900e-01 4.04 -7.161327181e-01 -7.161327181e-01 4.06 -6.905189851e-01 -6.905189851e-01 4.08 -6.658277489e-01 -6.658277489e-01 4.10 -6.420222771e-01 -6.420222771e-01 4.12 -6.190733735e-01 -6.190733735e-01 4.14 -5.969569493e-01 -5.969569493e-01 4.16 -5.756524341e-01 -5.756524341e-01 4.18 -5.551407693e-01 -5.551407693e-01 4.20 -5.354027170e-01 -5.354027170e-01 4.22 -5.164175161e-01 -5.164175161e-01 4.24 -4.981619760e-01 -4.981619760e-01 4.26 -4.806100343e-01 -4.806100343e-01 4.28 -4.637327410e-01 -4.637327410e-01 4.30 -4.474985893e-01 -4.474985893e-01 4.32 -4.318740794e-01 -4.318740794e-01 4.34 -4.168243293e-01 -4.168243293e-01 4.36 -4.023136810e-01 -4.023136810e-01 4.38 -3.883070160e-01 -3.883070160e-01 4.40 -3.747697618e-01 -3.747697618e-01 4.42 -3.616683388e-01 -3.616683388e-01 4.44 -3.489705710e-01 -3.489705710e-01 4.46 -3.366459962e-01 -3.366459962e-01 4.48 -3.246661098e-01 -3.246661098e-01 4.50 -3.130045696e-01 -3.130045696e-01 4.52 -3.016373888e-01 -3.016373888e-01 4.54 -2.905431351e-01 -2.905431351e-01 4.56 -2.797031456e-01 -2.797031456e-01 4.58 -2.691017566e-01 -2.691017566e-01 4.60 -2.587265376e-01 -2.587265376e-01 4.62 -2.485685072e-01 -2.485685072e-01 4.64 -2.386223009e-01 -2.386223009e-01 4.66 -2.288862524e-01 -2.288862524e-01 4.68 -2.193623498e-01 -2.193623498e-01 4.70 -2.100560309e-01 -2.100560309e-01 4.72 -2.009757928e-01 -2.009757928e-01 4.74 -1.921326110e-01 -1.921326110e-01 4.76 -1.835391847e-01 -1.835391847e-01 4.78 -1.752090526e-01 -1.752090526e-01 4.80 -1.671556035e-01 -1.671556035e-01 4.82 -1.593913230e-01 -1.593913230e-01 4.84 -1.519266932e-01 -1.519266932e-01 4.86 -1.447697391e-01 -1.447697391e-01 4.88 -1.379255607e-01 -1.379255607e-01 4.90 -1.313961658e-01 -1.313961658e-01 4.92 -1.251805391e-01 -1.251805391e-01 4.94 -1.192749055e-01 -1.192749055e-01 4.96 -1.136731283e-01 -1.136731283e-01 4.98 -1.083671651e-01 -1.083671651e-01 5.00 -1.033475222e-01 -1.033475222e-01 5.02 -9.860365537e-02 -9.860365537e-02 5.04 -9.412428681e-02 -9.412428681e-02 5.06 -8.989763047e-02 -8.989763047e-02 5.08 -8.591151029e-02 -8.591151029e-02 5.10 -8.215343493e-02 -8.215343493e-02 5.12 -7.861079596e-02 -7.861079596e-02 5.14 -7.527080752e-02 -7.527080752e-02 5.16 -7.212056193e-02 -7.212056193e-02 5.18 -6.914711595e-02 -6.914711595e-02 5.20 -6.633759704e-02 -6.633759704e-02 5.22 -6.367932164e-02 -6.367932164e-02 5.24 -6.115991459e-02 -6.115991459e-02 5.26 -5.876741884e-02 -5.876741884e-02 5.28 -5.649038701e-02 -5.649038701e-02 5.30 -5.431794967e-02 -5.431794967e-02 5.32 -5.223985883e-02 -5.223985883e-02 5.34 -5.024650789e-02 -5.024650789e-02 5.36 -4.832893360e-02 -4.832893360e-02 5.38 -4.647880151e-02 -4.647880151e-02 5.40 -4.468838275e-02 -4.468838275e-02 5.42 -4.295052715e-02 -4.295052715e-02 5.44 -4.125863758e-02 -4.125863758e-02 5.46 -3.960664968e-02 -3.960664968e-02 5.48 -3.798902062e-02 -3.798902062e-02 5.50 -3.640072959e-02 -3.640072959e-02 5.52 -3.483729180e-02 -3.483729180e-02 5.54 -3.329478749e-02 -3.329478749e-02 5.56 -3.176990248e-02 -3.176990248e-02 5.58 -3.025998316e-02 -3.025998316e-02 5.60 -2.876310080e-02 -2.876310080e-02 5.62 -2.727811930e-02 -2.727811930e-02 5.64 -2.580476043e-02 -2.580476043e-02 5.66 -2.434365811e-02 -2.434365811e-02 5.68 -2.289639247e-02 -2.289639247e-02 5.70 -2.146549363e-02 -2.146549363e-02 5.72 -2.005440597e-02 -2.005440597e-02 5.74 -1.866740570e-02 -1.866740570e-02 5.76 -1.730946617e-02 -1.730946617e-02 5.78 -1.598592234e-02 -1.598592234e-02 5.80 -1.470252055e-02 -1.470252055e-02 5.82 -1.346516264e-02 -1.346516264e-02 5.84 -1.227951044e-02 -1.227951044e-02 5.86 -1.115072358e-02 -1.115072358e-02 5.88 -1.008322559e-02 -1.008322559e-02 5.90 -9.080515864e-03 -9.080515864e-03 5.92 -8.145040868e-03 -8.145040868e-03 5.94 -7.278131088e-03 -7.278131088e-03 5.96 -6.480003420e-03 -6.480003420e-03 5.98 -5.749822448e-03 -5.749822448e-03 6.00 -5.085809326e-03 -5.085809326e-03