# 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 = CoCu2Fe # 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 1.247543022e+02 1.247543022e+02 1.30 1.140234015e+02 1.140234015e+02 1.32 1.041798879e+02 1.041798879e+02 1.34 9.514181078e+01 9.514181078e+01 1.36 8.683752943e+01 8.683752943e+01 1.38 7.920508651e+01 7.920508651e+01 1.40 7.219022526e+01 7.219022526e+01 1.42 6.574439925e+01 6.574439925e+01 1.44 5.982310016e+01 5.982310016e+01 1.46 5.438474022e+01 5.438474022e+01 1.48 4.939034112e+01 4.939034112e+01 1.50 4.480379071e+01 4.480379071e+01 1.52 4.059208262e+01 4.059208262e+01 1.54 3.672516457e+01 3.672516457e+01 1.56 3.317552669e+01 3.317552669e+01 1.58 2.991854759e+01 2.991854759e+01 1.60 2.693086616e+01 2.693086616e+01 1.62 2.419097254e+01 2.419097254e+01 1.64 2.167956997e+01 2.167956997e+01 1.66 1.937906785e+01 1.937906785e+01 1.68 1.727307164e+01 1.727307164e+01 1.70 1.534596386e+01 1.534596386e+01 1.72 1.358266283e+01 1.358266283e+01 1.74 1.196861795e+01 1.196861795e+01 1.76 1.049006802e+01 1.049006802e+01 1.78 9.134455535e+00 9.134455535e+00 1.80 7.890773814e+00 7.890773814e+00 1.82 6.749658765e+00 6.749658765e+00 1.84 5.703191168e+00 5.703191168e+00 1.86 4.744522811e+00 4.744522811e+00 1.88 3.867485564e+00 3.867485564e+00 1.90 3.066293164e+00 3.066293164e+00 1.92 2.335374895e+00 2.335374895e+00 1.94 1.669333871e+00 1.669333871e+00 1.96 1.062994101e+00 1.062994101e+00 1.98 5.114832051e-01 5.114832051e-01 2.00 1.030232626e-02 1.030232626e-02 2.02 -4.446415830e-01 -4.446415830e-01 2.04 -8.570433921e-01 -8.570433921e-01 2.06 -1.230236270e+00 -1.230236270e+00 2.08 -1.567240373e+00 -1.567240373e+00 2.10 -1.870810286e+00 -1.870810286e+00 2.12 -2.143475988e+00 -2.143475988e+00 2.14 -2.387577709e+00 -2.387577709e+00 2.16 -2.605295936e+00 -2.605295936e+00 2.18 -2.798676888e+00 -2.798676888e+00 2.20 -2.969653429e+00 -2.969653429e+00 2.22 -3.120061681e+00 -3.120061681e+00 2.24 -3.251654069e+00 -3.251654069e+00 2.26 -3.366110164e+00 -3.366110164e+00 2.28 -3.465045824e+00 -3.465045824e+00 2.30 -3.550035647e+00 -3.550035647e+00 2.32 -3.622604860e+00 -3.622604860e+00 2.34 -3.684073732e+00 -3.684073732e+00 2.36 -3.735633039e+00 -3.735633039e+00 2.38 -3.778312748e+00 -3.778312748e+00 2.40 -3.812960466e+00 -3.812960466e+00 2.42 -3.840250281e+00 -3.840250281e+00 2.44 -3.860711257e+00 -3.860711257e+00 2.46 -3.874718492e+00 -3.874718492e+00 2.48 -3.883038584e+00 -3.883038584e+00 2.50 -3.885722399e+00 -3.885722399e+00 2.52 -3.882531088e+00 -3.882531088e+00 2.54 -3.873364987e+00 -3.873364987e+00 2.56 -3.858244259e+00 -3.858244259e+00 2.58 -3.837291091e+00 -3.837291091e+00 2.60 -3.810672390e+00 -3.810672390e+00 2.62 -3.778555227e+00 -3.778555227e+00 2.64 -3.741235571e+00 -3.741235571e+00 2.66 -3.699069709e+00 -3.699069709e+00 2.68 -3.652445996e+00 -3.652445996e+00 2.70 -3.601779649e+00 -3.601779649e+00 2.72 -3.547507244e+00 -3.547507244e+00 2.74 -3.490076504e+00 -3.490076504e+00 2.76 -3.429930529e+00 -3.429930529e+00 2.78 -3.367489717e+00 -3.367489717e+00 2.80 -3.303136508e+00 -3.303136508e+00 2.82 -3.237206966e+00 -3.237206966e+00 2.84 -3.169990150e+00 -3.169990150e+00 2.86 -3.101733401e+00 -3.101733401e+00 2.88 -3.032650353e+00 -3.032650353e+00 2.90 -2.962928931e+00 -2.962928931e+00 2.92 -2.892737898e+00 -2.892737898e+00 2.94 -2.822231713e+00 -2.822231713e+00 2.96 -2.751554129e+00 -2.751554129e+00 2.98 -2.680840916e+00 -2.680840916e+00 3.00 -2.610221690e+00 -2.610221690e+00 3.02 -2.539820472e+00 -2.539820472e+00 3.04 -2.469754603e+00 -2.469754603e+00 3.06 -2.400132149e+00 -2.400132149e+00 3.08 -2.331048719e+00 -2.331048719e+00 3.10 -2.262585188e+00 -2.262585188e+00 3.12 -2.194807710e+00 -2.194807710e+00 3.14 -2.127770632e+00 -2.127770632e+00 3.16 -2.061521879e+00 -2.061521879e+00 3.18 -1.996109553e+00 -1.996109553e+00 3.20 -1.931588283e+00 -1.931588283e+00 3.22 -1.868024026e+00 -1.868024026e+00 3.24 -1.805496530e+00 -1.805496530e+00 3.26 -1.744099127e+00 -1.744099127e+00 3.28 -1.683935965e+00 -1.683935965e+00 3.30 -1.625117141e+00 -1.625117141e+00 3.32 -1.567752410e+00 -1.567752410e+00 3.34 -1.511944347e+00 -1.511944347e+00 3.36 -1.457781843e+00 -1.457781843e+00 3.38 -1.405334707e+00 -1.405334707e+00 3.40 -1.354649944e+00 -1.354649944e+00 3.42 -1.305749963e+00 -1.305749963e+00 3.44 -1.258632681e+00 -1.258632681e+00 3.46 -1.213273244e+00 -1.213273244e+00 3.48 -1.169626920e+00 -1.169626920e+00 3.50 -1.127632685e+00 -1.127632685e+00 3.52 -1.087217070e+00 -1.087217070e+00 3.54 -1.048297902e+00 -1.048297902e+00 3.56 -1.010787748e+00 -1.010787748e+00 3.58 -9.745969260e-01 -9.745969260e-01 3.60 -9.396361097e-01 -9.396361097e-01 3.62 -9.058185624e-01 -9.058185624e-01 3.64 -8.730621094e-01 -8.730621094e-01 3.66 -8.412909343e-01 -8.412909343e-01 3.68 -8.104372680e-01 -8.104372680e-01 3.70 -7.804429800e-01 -7.804429800e-01 3.72 -7.512610185e-01 -7.512610185e-01 3.74 -7.228565670e-01 -7.228565670e-01 3.76 -6.952077257e-01 -6.952077257e-01 3.78 -6.683054881e-01 -6.683054881e-01 3.80 -6.421528077e-01 -6.421528077e-01 3.82 -6.167626269e-01 -6.167626269e-01 3.84 -5.921548940e-01 -5.921548940e-01 3.86 -5.683527769e-01 -5.683527769e-01 3.88 -5.453784642e-01 -5.453784642e-01 3.90 -5.232490619e-01 -5.232490619e-01 3.92 -5.019731056e-01 -5.019731056e-01 3.94 -4.815481048e-01 -4.815481048e-01 3.96 -4.619593441e-01 -4.619593441e-01 3.98 -4.431799436e-01 -4.431799436e-01 4.00 -4.251719862e-01 -4.251719862e-01 4.02 -4.078884008e-01 -4.078884008e-01 4.04 -3.912752559e-01 -3.912752559e-01 4.06 -3.752741613e-01 -3.752741613e-01 4.08 -3.598245551e-01 -3.598245551e-01 4.10 -3.448657546e-01 -3.448657546e-01 4.12 -3.303387314e-01 -3.303387314e-01 4.14 -3.161876269e-01 -3.161876269e-01 4.16 -3.023610619e-01 -3.023610619e-01 4.18 -2.888132882e-01 -2.888132882e-01 4.20 -2.755052207e-01 -2.755052207e-01 4.22 -2.624053569e-01 -2.624053569e-01 4.24 -2.494905668e-01 -2.494905668e-01 4.26 -2.367467089e-01 -2.367467089e-01 4.28 -2.241690208e-01 -2.241690208e-01 4.30 -2.117622342e-01 -2.117622342e-01 4.32 -1.995403753e-01 -1.995403753e-01 4.34 -1.875262241e-01 -1.875262241e-01 4.36 -1.757504201e-01 -1.757504201e-01 4.38 -1.642501998e-01 -1.642501998e-01 4.40 -1.530677650e-01 -1.530677650e-01 4.42 -1.422482929e-01 -1.422482929e-01 4.44 -1.318376422e-01 -1.318376422e-01 4.46 -1.218798614e-01 -1.218798614e-01 4.48 -1.124146690e-01 -1.124146690e-01 4.50 -1.034751217e-01 -1.034751217e-01 4.52 -9.508569222e-02 -9.508569222e-02 4.54 -8.726095030e-02 -8.726095030e-02 4.56 -8.000496030e-02 -8.000496030e-02 4.58 -7.331141922e-02 -7.331141922e-02 4.60 -6.716446197e-02 -6.716446197e-02 4.62 -6.153999007e-02 -6.153999007e-02 4.64 -5.640733993e-02 -5.640733993e-02 4.66 -5.173109791e-02 -5.173109791e-02 4.68 -4.747291051e-02 -4.747291051e-02 4.70 -4.359315268e-02 -4.359315268e-02 4.72 -4.005201021e-02 -4.005201021e-02 4.74 -3.681123546e-02 -3.681123546e-02 4.76 -3.383557364e-02 -3.383557364e-02 4.78 -3.109253383e-02 -3.109253383e-02 4.80 -2.855297378e-02 -2.855297378e-02 4.82 -2.619147962e-02 -2.619147962e-02 4.84 -2.398655176e-02 -2.398655176e-02 4.86 -2.192062644e-02 -2.192062644e-02 4.88 -1.997994914e-02 -1.997994914e-02 4.90 -1.815431068e-02 -1.815431068e-02 4.92 -1.643665562e-02 -1.643665562e-02 4.94 -1.482257745e-02 -1.482257745e-02 4.96 -1.330959553e-02 -1.330959553e-02 4.98 -1.189669224e-02 -1.189669224e-02 5.00 -1.058378420e-02 -1.058378420e-02 5.02 -9.370915962e-03 -9.370915962e-03 5.04 -8.257742663e-03 -8.257742663e-03 5.06 -7.243143882e-03 -7.243143882e-03 5.08 -6.324987638e-03 -6.324987638e-03 5.10 -5.500043991e-03 -5.500043991e-03 5.12 -4.764030054e-03 -4.764030054e-03 5.14 -4.111755843e-03 -4.111755843e-03 5.16 -3.537334757e-03 -3.537334757e-03 5.18 -3.034423203e-03 -3.034423203e-03 5.20 -2.596459423e-03 -2.596459423e-03 5.22 -2.216879580e-03 -2.216879580e-03 5.24 -1.889297767e-03 -1.889297767e-03 5.26 -1.607644181e-03 -1.607644181e-03 5.28 -1.366261569e-03 -1.366261569e-03 5.30 -1.159963943e-03 -1.159963943e-03 5.32 -9.840636441e-04 -9.840636441e-04 5.34 -8.343736070e-04 -8.343736070e-04 5.36 -7.071914099e-04 -7.071914099e-04 5.38 -5.992709692e-04 -5.992709692e-04 5.40 -5.077866922e-04 -5.077866922e-04 5.42 -4.302938492e-04 -4.302938492e-04 5.44 -3.646879440e-04 -3.646879440e-04 5.46 -3.091650209e-04 -3.091650209e-04 5.48 -2.621841711e-04 -2.621841711e-04 5.50 -2.224329858e-04 -2.224329858e-04 5.52 -1.887963153e-04 -1.887963153e-04 5.54 -1.603284322e-04 -1.603284322e-04 5.56 -1.362285123e-04 -1.362285123e-04 5.58 -1.158192391e-04 -1.158192391e-04 5.60 -9.852827247e-05 -9.852827247e-05 5.62 -8.387229684e-05 -8.387229684e-05 5.64 -7.144335683e-05 -7.144335683e-05 5.66 -6.089719918e-05 -6.089719918e-05 5.68 -5.194335913e-05 -5.194335913e-05 5.70 -4.433675221e-05 -4.433675221e-05 5.72 -3.787055785e-05 -3.787055785e-05 5.74 -3.237020650e-05 -3.237020650e-05 5.76 -2.768830562e-05 -2.768830562e-05 5.78 -2.370036231e-05 -2.370036231e-05 5.80 -2.030118013e-05 -2.030118013e-05 5.82 -1.740182542e-05 -1.740182542e-05 5.84 -1.492707390e-05 -1.492707390e-05 5.86 -1.281326190e-05 -1.281326190e-05 5.88 -1.100647810e-05 -1.100647810e-05 5.90 -9.461041809e-06 -9.461041809e-06 5.92 -8.138221998e-06 -8.138221998e-06 5.94 -7.005158806e-06 -7.005158806e-06 5.96 -6.033955176e-06 -6.033955176e-06 5.98 -5.200911488e-06 -5.200911488e-06 6.00 -4.485880385e-06 -4.485880385e-06