# 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 = CoPb2Pt # 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 3.660940812e+02 3.660940812e+02 1.30 3.418892039e+02 3.418892039e+02 1.32 3.193220058e+02 3.193220058e+02 1.34 2.982707586e+02 2.982707586e+02 1.36 2.786238753e+02 2.786238753e+02 1.38 2.602762258e+02 2.602762258e+02 1.40 2.431289295e+02 2.431289295e+02 1.42 2.270916336e+02 2.270916336e+02 1.44 2.120842978e+02 2.120842978e+02 1.46 1.980363459e+02 1.980363459e+02 1.48 1.848838019e+02 1.848838019e+02 1.50 1.725665945e+02 1.725665945e+02 1.52 1.610270512e+02 1.610270512e+02 1.54 1.502094529e+02 1.502094529e+02 1.56 1.400605282e+02 1.400605282e+02 1.58 1.305305625e+02 1.305305625e+02 1.60 1.215744297e+02 1.215744297e+02 1.62 1.131519460e+02 1.131519460e+02 1.64 1.052274462e+02 1.052274462e+02 1.66 9.776894824e+01 9.776894824e+01 1.68 9.074748318e+01 9.074748318e+01 1.70 8.413680971e+01 8.413680971e+01 1.72 7.791392546e+01 7.791392546e+01 1.74 7.210554347e+01 7.210554347e+01 1.76 6.671821225e+01 6.671821225e+01 1.78 6.172100872e+01 6.172100872e+01 1.80 5.708387627e+01 5.708387627e+01 1.82 5.277826244e+01 5.277826244e+01 1.84 4.877764084e+01 4.877764084e+01 1.86 4.505778234e+01 4.505778234e+01 1.88 4.159685858e+01 4.159685858e+01 1.90 3.837541377e+01 3.837541377e+01 1.92 3.537621574e+01 3.537621574e+01 1.94 3.258395007e+01 3.258395007e+01 1.96 2.998479204e+01 2.998479204e+01 1.98 2.756596106e+01 2.756596106e+01 2.00 2.531540255e+01 2.531540255e+01 2.02 2.322165333e+01 2.322165333e+01 2.04 2.127384058e+01 2.127384058e+01 2.06 1.946173590e+01 1.946173590e+01 2.08 1.777580437e+01 1.777580437e+01 2.10 1.620721249e+01 1.620721249e+01 2.12 1.474780394e+01 1.474780394e+01 2.14 1.339005078e+01 1.339005078e+01 2.16 1.212700119e+01 1.212700119e+01 2.18 1.095223712e+01 1.095223712e+01 2.20 9.859835789e+00 9.859835789e+00 2.22 8.844338091e+00 8.844338091e+00 2.24 7.900712176e+00 7.900712176e+00 2.26 7.024313444e+00 7.024313444e+00 2.28 6.210844379e+00 6.210844379e+00 2.30 5.456308447e+00 5.456308447e+00 2.32 4.756965955e+00 4.756965955e+00 2.34 4.109297249e+00 4.109297249e+00 2.36 3.509961607e+00 3.509961607e+00 2.38 2.955768558e+00 2.955768558e+00 2.40 2.443659857e+00 2.443659857e+00 2.42 1.970707493e+00 1.970707493e+00 2.44 1.534126376e+00 1.534126376e+00 2.46 1.131299063e+00 1.131299063e+00 2.48 7.593170480e-01 7.593170480e-01 2.50 4.150719193e-01 4.150719193e-01 2.52 9.688175737e-02 9.688175737e-02 2.54 -1.967684912e-01 -1.967684912e-01 2.56 -4.672978693e-01 -4.672978693e-01 2.58 -7.160517953e-01 -7.160517953e-01 2.60 -9.443170430e-01 -9.443170430e-01 2.62 -1.153325909e+00 -1.153325909e+00 2.64 -1.344268653e+00 -1.344268653e+00 2.66 -1.518288305e+00 -1.518288305e+00 2.68 -1.676406321e+00 -1.676406321e+00 2.70 -1.819577758e+00 -1.819577758e+00 2.72 -1.948697419e+00 -1.948697419e+00 2.74 -2.064601645e+00 -2.064601645e+00 2.76 -2.168071305e+00 -2.168071305e+00 2.78 -2.259835181e+00 -2.259835181e+00 2.80 -2.340575198e+00 -2.340575198e+00 2.82 -2.410930016e+00 -2.410930016e+00 2.84 -2.471483937e+00 -2.471483937e+00 2.86 -2.522768669e+00 -2.522768669e+00 2.88 -2.565308638e+00 -2.565308638e+00 2.90 -2.599635557e+00 -2.599635557e+00 2.92 -2.626299347e+00 -2.626299347e+00 2.94 -2.645875723e+00 -2.645875723e+00 2.96 -2.658967430e+00 -2.658967430e+00 2.98 -2.666197076e+00 -2.666197076e+00 3.00 -2.668191550e+00 -2.668191550e+00 3.02 -2.665560634e+00 -2.665560634e+00 3.04 -2.658873932e+00 -2.658873932e+00 3.06 -2.648644512e+00 -2.648644512e+00 3.08 -2.635314698e+00 -2.635314698e+00 3.10 -2.619257101e+00 -2.619257101e+00 3.12 -2.600779237e+00 -2.600779237e+00 3.14 -2.580141354e+00 -2.580141354e+00 3.16 -2.557560354e+00 -2.557560354e+00 3.18 -2.533228363e+00 -2.533228363e+00 3.20 -2.507319233e+00 -2.507319233e+00 3.22 -2.479992911e+00 -2.479992911e+00 3.24 -2.451396691e+00 -2.451396691e+00 3.26 -2.421664792e+00 -2.421664792e+00 3.28 -2.390926803e+00 -2.390926803e+00 3.30 -2.359346207e+00 -2.359346207e+00 3.32 -2.327024400e+00 -2.327024400e+00 3.34 -2.294055648e+00 -2.294055648e+00 3.36 -2.260522675e+00 -2.260522675e+00 3.38 -2.226500029e+00 -2.226500029e+00 3.40 -2.192056617e+00 -2.192056617e+00 3.42 -2.157258440e+00 -2.157258440e+00 3.44 -2.122167934e+00 -2.122167934e+00 3.46 -2.086845119e+00 -2.086845119e+00 3.48 -2.051343784e+00 -2.051343784e+00 3.50 -2.015702820e+00 -2.015702820e+00 3.52 -1.979957858e+00 -1.979957858e+00 3.54 -1.944143260e+00 -1.944143260e+00 3.56 -1.908291498e+00 -1.908291498e+00 3.58 -1.872432870e+00 -1.872432870e+00 3.60 -1.836595512e+00 -1.836595512e+00 3.62 -1.800805704e+00 -1.800805704e+00 3.64 -1.765088414e+00 -1.765088414e+00 3.66 -1.729467966e+00 -1.729467966e+00 3.68 -1.693968728e+00 -1.693968728e+00 3.70 -1.658615653e+00 -1.658615653e+00 3.72 -1.623434555e+00 -1.623434555e+00 3.74 -1.588452020e+00 -1.588452020e+00 3.76 -1.553694937e+00 -1.553694937e+00 3.78 -1.519189733e+00 -1.519189733e+00 3.80 -1.484961430e+00 -1.484961430e+00 3.82 -1.451032712e+00 -1.451032712e+00 3.84 -1.417423165e+00 -1.417423165e+00 3.86 -1.384148791e+00 -1.384148791e+00 3.88 -1.351221840e+00 -1.351221840e+00 3.90 -1.318650946e+00 -1.318650946e+00 3.92 -1.286440864e+00 -1.286440864e+00 3.94 -1.254595676e+00 -1.254595676e+00 3.96 -1.223115293e+00 -1.223115293e+00 3.98 -1.191999150e+00 -1.191999150e+00 4.00 -1.161246283e+00 -1.161246283e+00 4.02 -1.130856274e+00 -1.130856274e+00 4.04 -1.100830268e+00 -1.100830268e+00 4.06 -1.071172042e+00 -1.071172042e+00 4.08 -1.041889054e+00 -1.041889054e+00 4.10 -1.012991815e+00 -1.012991815e+00 4.12 -9.845011376e-01 -9.845011376e-01 4.14 -9.564380833e-01 -9.564380833e-01 4.16 -9.288309912e-01 -9.288309912e-01 4.18 -9.017126765e-01 -9.017126765e-01 4.20 -8.751189194e-01 -8.751189194e-01 4.22 -8.490864009e-01 -8.490864009e-01 4.24 -8.236502671e-01 -8.236502671e-01 4.26 -7.988415873e-01 -7.988415873e-01 4.28 -7.746849940e-01 -7.746849940e-01 4.30 -7.511967799e-01 -7.511967799e-01 4.32 -7.283836473e-01 -7.283836473e-01 4.34 -7.062422069e-01 -7.062422069e-01 4.36 -6.847592103e-01 -6.847592103e-01 4.38 -6.639124072e-01 -6.639124072e-01 4.40 -6.436718542e-01 -6.436718542e-01 4.42 -6.240014790e-01 -6.240014790e-01 4.44 -6.048607155e-01 -6.048607155e-01 4.46 -5.862060608e-01 -5.862060608e-01 4.48 -5.679924571e-01 -5.679924571e-01 4.50 -5.501744544e-01 -5.501744544e-01 4.52 -5.327071544e-01 -5.327071544e-01 4.54 -5.155469710e-01 -5.155469710e-01 4.56 -4.986522629e-01 -4.986522629e-01 4.58 -4.819839006e-01 -4.819839006e-01 4.60 -4.655058295e-01 -4.655058295e-01 4.62 -4.491856780e-01 -4.491856780e-01 4.64 -4.329954442e-01 -4.329954442e-01 4.66 -4.169122723e-01 -4.169122723e-01 4.68 -4.009193058e-01 -4.009193058e-01 4.70 -3.850065766e-01 -3.850065766e-01 4.72 -3.691718627e-01 -3.691718627e-01 4.74 -3.534214244e-01 -3.534214244e-01 4.76 -3.377705110e-01 -3.377705110e-01 4.78 -3.222435261e-01 -3.222435261e-01 4.80 -3.068723006e-01 -3.068723006e-01 4.82 -2.917013209e-01 -2.917013209e-01 4.84 -2.767769866e-01 -2.767769866e-01 4.86 -2.621523109e-01 -2.621523109e-01 4.88 -2.478829383e-01 -2.478829383e-01 4.90 -2.340246110e-01 -2.340246110e-01 4.92 -2.206305579e-01 -2.206305579e-01 4.94 -2.077490121e-01 -2.077490121e-01 4.96 -1.954210530e-01 -1.954210530e-01 4.98 -1.836789345e-01 -1.836789345e-01 5.00 -1.725450063e-01 -1.725450063e-01 5.02 -1.620312775e-01 -1.620312775e-01 5.04 -1.521396042e-01 -1.521396042e-01 5.06 -1.428624313e-01 -1.428624313e-01 5.08 -1.341839749e-01 -1.341839749e-01 5.10 -1.260817079e-01 -1.260817079e-01 5.12 -1.185280010e-01 -1.185280010e-01 5.14 -1.114917832e-01 -1.114917832e-01 5.16 -1.049401024e-01 -1.049401024e-01 5.18 -9.883948915e-02 -9.883948915e-02 5.20 -9.315709007e-02 -9.315709007e-02 5.22 -8.786151986e-02 -8.786151986e-02 5.24 -8.292344195e-02 -8.292344195e-02 5.26 -7.831588456e-02 -7.831588456e-02 5.28 -7.401434314e-02 -7.401434314e-02 5.30 -6.999670929e-02 -6.999670929e-02 5.32 -6.624307238e-02 -6.624307238e-02 5.34 -6.273543155e-02 -6.273543155e-02 5.36 -5.945655018e-02 -5.945655018e-02 5.38 -5.639138308e-02 -5.639138308e-02 5.40 -5.352644337e-02 -5.352644337e-02 5.42 -5.084879275e-02 -5.084879275e-02 5.44 -4.834593539e-02 -4.834593539e-02 5.46 -4.600575089e-02 -4.600575089e-02 5.48 -4.381646548e-02 -4.381646548e-02 5.50 -4.176665528e-02 -4.176665528e-02 5.52 -3.984527280e-02 -3.984527280e-02 5.54 -3.804168714e-02 -3.804168714e-02 5.56 -3.634572932e-02 -3.634572932e-02 5.58 -3.474773553e-02 -3.474773553e-02 5.60 -3.323858370e-02 -3.323858370e-02 5.62 -3.180972038e-02 -3.180972038e-02 5.64 -3.045317710e-02 -3.045317710e-02 5.66 -2.916157639e-02 -2.916157639e-02 5.68 -2.792812906e-02 -2.792812906e-02 5.70 -2.674662435e-02 -2.674662435e-02 5.72 -2.561141526e-02 -2.561141526e-02 5.74 -2.451740100e-02 -2.451740100e-02 5.76 -2.346000843e-02 -2.346000843e-02 5.78 -2.243517397e-02 -2.243517397e-02 5.80 -2.143932704e-02 -2.143932704e-02 5.82 -2.046937570e-02 -2.046937570e-02 5.84 -1.952269454e-02 -1.952269454e-02 5.86 -1.859711458e-02 -1.859711458e-02 5.88 -1.769091455e-02 -1.769091455e-02 5.90 -1.680281221e-02 -1.680281221e-02 5.92 -1.593195453e-02 -1.593195453e-02 5.94 -1.507790468e-02 -1.507790468e-02 5.96 -1.424062400e-02 -1.424062400e-02 5.98 -1.342045082e-02 -1.342045082e-02 6.00 -1.261806784e-02 -1.261806784e-02