# 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 = Pb2PdTi # 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 4.012754174e+02 4.012754174e+02 1.30 3.747518805e+02 3.747518805e+02 1.32 3.500732581e+02 3.500732581e+02 1.34 3.270952952e+02 3.270952952e+02 1.36 3.056846699e+02 3.056846699e+02 1.38 2.857191786e+02 2.857191786e+02 1.40 2.670886941e+02 2.670886941e+02 1.42 2.496948426e+02 2.496948426e+02 1.44 2.334488586e+02 2.334488586e+02 1.46 2.182690724e+02 2.182690724e+02 1.48 2.040794942e+02 2.040794942e+02 1.50 1.908094781e+02 1.908094781e+02 1.52 1.783936283e+02 1.783936283e+02 1.54 1.667715521e+02 1.667715521e+02 1.56 1.558874382e+02 1.558874382e+02 1.58 1.456896703e+02 1.456896703e+02 1.60 1.361305676e+02 1.361305676e+02 1.62 1.271662285e+02 1.271662285e+02 1.64 1.187563446e+02 1.187563446e+02 1.66 1.108640187e+02 1.108640187e+02 1.68 1.034555545e+02 1.034555545e+02 1.70 9.650008046e+01 9.650008046e+01 1.72 8.996898206e+01 8.996898206e+01 1.74 8.383529802e+01 8.383529802e+01 1.76 7.807403150e+01 7.807403150e+01 1.78 7.267618877e+01 7.267618877e+01 1.80 6.763123408e+01 6.763123408e+01 1.82 6.291494675e+01 6.291494675e+01 1.84 5.850450103e+01 5.850450103e+01 1.86 5.437893947e+01 5.437893947e+01 1.88 5.051912604e+01 5.051912604e+01 1.90 4.690762856e+01 4.690762856e+01 1.92 4.352851508e+01 4.352851508e+01 1.94 4.036710634e+01 4.036710634e+01 1.96 3.740972113e+01 3.740972113e+01 1.98 3.464347906e+01 3.464347906e+01 2.00 3.205618270e+01 3.205618270e+01 2.02 2.963627562e+01 2.963627562e+01 2.04 2.737284202e+01 2.737284202e+01 2.06 2.525562399e+01 2.525562399e+01 2.08 2.327504653e+01 2.327504653e+01 2.10 2.142222927e+01 2.142222927e+01 2.12 1.968898510e+01 1.968898510e+01 2.14 1.806778312e+01 1.806778312e+01 2.16 1.655168661e+01 1.655168661e+01 2.18 1.513428024e+01 1.513428024e+01 2.20 1.380959433e+01 1.380959433e+01 2.22 1.257204516e+01 1.257204516e+01 2.24 1.141638711e+01 1.141638711e+01 2.26 1.033767795e+01 1.033767795e+01 2.28 9.331256111e+00 9.331256111e+00 2.30 8.392716761e+00 8.392716761e+00 2.32 7.517890656e+00 7.517890656e+00 2.34 6.702826976e+00 6.702826976e+00 2.36 5.943769615e+00 5.943769615e+00 2.38 5.237145040e+00 5.237145040e+00 2.40 4.579558578e+00 4.579558578e+00 2.42 3.967799872e+00 3.967799872e+00 2.44 3.398851111e+00 3.398851111e+00 2.46 2.869895089e+00 2.869895089e+00 2.48 2.378316226e+00 2.378316226e+00 2.50 1.921693872e+00 1.921693872e+00 2.52 1.497789458e+00 1.497789458e+00 2.54 1.104531155e+00 1.104531155e+00 2.56 7.399991957e-01 7.399991957e-01 2.58 4.024129276e-01 4.024129276e-01 2.60 9.011891332e-02 9.011891332e-02 2.62 -1.984201627e-01 -1.984201627e-01 2.64 -4.646706417e-01 -4.646706417e-01 2.66 -7.099900300e-01 -7.099900300e-01 2.68 -9.355968276e-01 -9.355968276e-01 2.70 -1.142649260e+00 -1.142649260e+00 2.72 -1.332250543e+00 -1.332250543e+00 2.74 -1.505451785e+00 -1.505451785e+00 2.76 -1.663253868e+00 -1.663253868e+00 2.78 -1.806613854e+00 -1.806613854e+00 2.80 -1.936692877e+00 -1.936692877e+00 2.82 -2.054347605e+00 -2.054347605e+00 2.84 -2.160171310e+00 -2.160171310e+00 2.86 -2.254757514e+00 -2.254757514e+00 2.88 -2.338706221e+00 -2.338706221e+00 2.90 -2.412621015e+00 -2.412621015e+00 2.92 -2.477104639e+00 -2.477104639e+00 2.94 -2.532752762e+00 -2.532752762e+00 2.96 -2.580150256e+00 -2.580150256e+00 2.98 -2.619890278e+00 -2.619890278e+00 3.00 -2.652548103e+00 -2.652548103e+00 3.02 -2.678660184e+00 -2.678660184e+00 3.04 -2.698725312e+00 -2.698725312e+00 3.06 -2.713209953e+00 -2.713209953e+00 3.08 -2.722548378e+00 -2.722548378e+00 3.10 -2.727148539e+00 -2.727148539e+00 3.12 -2.727393421e+00 -2.727393421e+00 3.14 -2.723649228e+00 -2.723649228e+00 3.16 -2.716259434e+00 -2.716259434e+00 3.18 -2.705551881e+00 -2.705551881e+00 3.20 -2.691836853e+00 -2.691836853e+00 3.22 -2.675405273e+00 -2.675405273e+00 3.24 -2.656526072e+00 -2.656526072e+00 3.26 -2.635443730e+00 -2.635443730e+00 3.28 -2.612376934e+00 -2.612376934e+00 3.30 -2.587525346e+00 -2.587525346e+00 3.32 -2.561117543e+00 -2.561117543e+00 3.34 -2.533267473e+00 -2.533267473e+00 3.36 -2.504057099e+00 -2.504057099e+00 3.38 -2.473567639e+00 -2.473567639e+00 3.40 -2.441880886e+00 -2.441880886e+00 3.42 -2.409081497e+00 -2.409081497e+00 3.44 -2.375256383e+00 -2.375256383e+00 3.46 -2.340496477e+00 -2.340496477e+00 3.48 -2.304896202e+00 -2.304896202e+00 3.50 -2.268544417e+00 -2.268544417e+00 3.52 -2.231524360e+00 -2.231524360e+00 3.54 -2.193924578e+00 -2.193924578e+00 3.56 -2.155836799e+00 -2.155836799e+00 3.58 -2.117352859e+00 -2.117352859e+00 3.60 -2.078561574e+00 -2.078561574e+00 3.62 -2.039546050e+00 -2.039546050e+00 3.64 -2.000381924e+00 -2.000381924e+00 3.66 -1.961136776e+00 -1.961136776e+00 3.68 -1.921870640e+00 -1.921870640e+00 3.70 -1.882637248e+00 -1.882637248e+00 3.72 -1.843485529e+00 -1.843485529e+00 3.74 -1.804460929e+00 -1.804460929e+00 3.76 -1.765606248e+00 -1.765606248e+00 3.78 -1.726961945e+00 -1.726961945e+00 3.80 -1.688566001e+00 -1.688566001e+00 3.82 -1.650453567e+00 -1.650453567e+00 3.84 -1.612656605e+00 -1.612656605e+00 3.86 -1.575203702e+00 -1.575203702e+00 3.88 -1.538120146e+00 -1.538120146e+00 3.90 -1.501428270e+00 -1.501428270e+00 3.92 -1.465147327e+00 -1.465147327e+00 3.94 -1.429296943e+00 -1.429296943e+00 3.96 -1.393893473e+00 -1.393893473e+00 3.98 -1.358953759e+00 -1.358953759e+00 4.00 -1.324494925e+00 -1.324494925e+00 4.02 -1.290534864e+00 -1.290534864e+00 4.04 -1.257092541e+00 -1.257092541e+00 4.06 -1.224188069e+00 -1.224188069e+00 4.08 -1.191842520e+00 -1.191842520e+00 4.10 -1.160075310e+00 -1.160075310e+00 4.12 -1.128912379e+00 -1.128912379e+00 4.14 -1.098371137e+00 -1.098371137e+00 4.16 -1.068469218e+00 -1.068469218e+00 4.18 -1.039220746e+00 -1.039220746e+00 4.20 -1.010635349e+00 -1.010635349e+00 4.22 -9.827174636e-01 -9.827174636e-01 4.24 -9.554659814e-01 -9.554659814e-01 4.26 -9.288743026e-01 -9.288743026e-01 4.28 -9.029307483e-01 -9.029307483e-01 4.30 -8.776192660e-01 -8.776192660e-01 4.32 -8.529203221e-01 -8.529203221e-01 4.34 -8.288118732e-01 -8.288118732e-01 4.36 -8.052703202e-01 -8.052703202e-01 4.38 -7.822713704e-01 -7.822713704e-01 4.40 -7.597907655e-01 -7.597907655e-01 4.42 -7.378048562e-01 -7.378048562e-01 4.44 -7.162910302e-01 -7.162910302e-01 4.46 -6.952280147e-01 -6.952280147e-01 4.48 -6.745960829e-01 -6.745960829e-01 4.50 -6.543771996e-01 -6.543771996e-01 4.52 -6.345551390e-01 -6.345551390e-01 4.54 -6.151155997e-01 -6.151155997e-01 4.56 -5.960463368e-01 -5.960463368e-01 4.58 -5.773373192e-01 -5.773373192e-01 4.60 -5.589809068e-01 -5.589809068e-01 4.62 -5.409720325e-01 -5.409720325e-01 4.64 -5.233083608e-01 -5.233083608e-01 4.66 -5.059903879e-01 -5.059903879e-01 4.68 -4.890214426e-01 -4.890214426e-01 4.70 -4.724075496e-01 -4.724075496e-01 4.72 -4.561571270e-01 -4.561571270e-01 4.74 -4.402805041e-01 -4.402805041e-01 4.76 -4.247892709e-01 -4.247892709e-01 4.78 -4.096954955e-01 -4.096954955e-01 4.80 -3.950093755e-01 -3.950093755e-01 4.82 -3.807445825e-01 -3.807445825e-01 4.84 -3.669078080e-01 -3.669078080e-01 4.86 -3.535049011e-01 -3.535049011e-01 4.88 -3.405387027e-01 -3.405387027e-01 4.90 -3.280088894e-01 -3.280088894e-01 4.92 -3.159120492e-01 -3.159120492e-01 4.94 -3.042419541e-01 -3.042419541e-01 4.96 -2.929899728e-01 -2.929899728e-01 4.98 -2.821455597e-01 -2.821455597e-01 5.00 -2.716967555e-01 -2.716967555e-01 5.02 -2.616306504e-01 -2.616306504e-01 5.04 -2.519337789e-01 -2.519337789e-01 5.06 -2.425924328e-01 -2.425924328e-01 5.08 -2.335929009e-01 -2.335929009e-01 5.10 -2.249216487e-01 -2.249216487e-01 5.12 -2.165654611e-01 -2.165654611e-01 5.14 -2.085115640e-01 -2.085115640e-01 5.16 -2.007477329e-01 -2.007477329e-01 5.18 -1.932623905e-01 -1.932623905e-01 5.20 -1.860446838e-01 -1.860446838e-01 5.22 -1.790845288e-01 -1.790845288e-01 5.24 -1.723726123e-01 -1.723726123e-01 5.26 -1.659003407e-01 -1.659003407e-01 5.28 -1.596597366e-01 -1.596597366e-01 5.30 -1.536432892e-01 -1.536432892e-01 5.32 -1.478437710e-01 -1.478437710e-01 5.34 -1.422540410e-01 -1.422540410e-01 5.36 -1.368668528e-01 -1.368668528e-01 5.38 -1.316746887e-01 -1.316746887e-01 5.40 -1.266696338e-01 -1.266696338e-01 5.42 -1.218433035e-01 -1.218433035e-01 5.44 -1.171868256e-01 -1.171868256e-01 5.46 -1.126908774e-01 -1.126908774e-01 5.48 -1.083457755e-01 -1.083457755e-01 5.50 -1.041416050e-01 -1.041416050e-01 5.52 -1.000683808e-01 -1.000683808e-01 5.54 -9.611622801e-02 -9.611622801e-02 5.56 -9.227557443e-02 -9.227557443e-02 5.58 -8.853734462e-02 -8.853734462e-02 5.60 -8.489314739e-02 -8.489314739e-02 5.62 -8.133544890e-02 -8.133544890e-02 5.64 -7.785772686e-02 -7.785772686e-02 5.66 -7.445459665e-02 -7.445459665e-02 5.68 -7.112190252e-02 -7.112190252e-02 5.70 -6.785676638e-02 -6.785676638e-02 5.72 -6.465758804e-02 -6.465758804e-02 5.74 -6.152399199e-02 -6.152399199e-02 5.76 -5.845671980e-02 -5.845671980e-02 5.78 -5.545733855e-02 -5.545733855e-02 5.80 -5.252777376e-02 -5.252777376e-02 5.82 -4.967118610e-02 -4.967118610e-02 5.84 -4.689106453e-02 -4.689106453e-02 5.86 -4.419088657e-02 -4.419088657e-02 5.88 -4.157390458e-02 -4.157390458e-02 5.90 -3.904297582e-02 -3.904297582e-02 5.92 -3.660044728e-02 -3.660044728e-02 5.94 -3.424809914e-02 -3.424809914e-02 5.96 -3.198714360e-02 -3.198714360e-02 5.98 -2.981827005e-02 -2.981827005e-02 6.00 -2.774172037e-02 -2.774172037e-02