# 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 = CuPd2W # 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 3.110004522e+02 3.110004522e+02 1.30 2.879295256e+02 2.879295256e+02 1.32 2.665732529e+02 2.665732529e+02 1.34 2.467941908e+02 2.467941908e+02 1.36 2.284674013e+02 2.284674013e+02 1.38 2.114786973e+02 2.114786973e+02 1.40 1.957237388e+02 1.957237388e+02 1.42 1.811069479e+02 1.811069479e+02 1.44 1.675406134e+02 1.675406134e+02 1.46 1.549444890e+02 1.549444890e+02 1.48 1.432452991e+02 1.432452991e+02 1.50 1.323757620e+02 1.323757620e+02 1.52 1.222734639e+02 1.222734639e+02 1.54 1.128800836e+02 1.128800836e+02 1.56 1.041411032e+02 1.041411032e+02 1.58 9.600581636e+01 9.600581636e+01 1.60 8.842747318e+01 8.842747318e+01 1.62 8.136346638e+01 8.136346638e+01 1.64 7.477536835e+01 7.477536835e+01 1.66 6.862861780e+01 6.862861780e+01 1.68 6.289189698e+01 6.289189698e+01 1.70 5.753666986e+01 5.753666986e+01 1.72 5.253691944e+01 5.253691944e+01 1.74 4.786816411e+01 4.786816411e+01 1.76 4.350821965e+01 4.350821965e+01 1.78 3.945421670e+01 3.945421670e+01 1.80 3.571164158e+01 3.571164158e+01 1.82 3.226113615e+01 3.226113615e+01 1.84 2.908412006e+01 2.908412006e+01 1.86 2.616244635e+01 2.616244635e+01 1.88 2.347807089e+01 2.347807089e+01 1.90 2.101306500e+01 2.101306500e+01 1.92 1.874992631e+01 1.874992631e+01 1.94 1.667202739e+01 1.667202739e+01 1.96 1.476399666e+01 1.476399666e+01 1.98 1.301189387e+01 1.301189387e+01 2.00 1.140316720e+01 1.140316720e+01 2.02 9.926469718e+00 9.926469718e+00 2.04 8.571430452e+00 8.571430452e+00 2.06 7.328448148e+00 7.328448148e+00 2.08 6.188542100e+00 6.188542100e+00 2.10 5.143271675e+00 5.143271675e+00 2.12 4.184720802e+00 4.184720802e+00 2.14 3.305530230e+00 3.305530230e+00 2.16 2.498950187e+00 2.498950187e+00 2.18 1.758884189e+00 1.758884189e+00 2.20 1.079903034e+00 1.079903034e+00 2.22 4.572218147e-01 4.572218147e-01 2.24 -1.133553654e-01 -1.133553654e-01 2.26 -6.355039227e-01 -6.355039227e-01 2.28 -1.112382709e+00 -1.112382709e+00 2.30 -1.547015202e+00 -1.547015202e+00 2.32 -1.942209001e+00 -1.942209001e+00 2.34 -2.300567510e+00 -2.300567510e+00 2.36 -2.624553171e+00 -2.624553171e+00 2.38 -2.916527066e+00 -2.916527066e+00 2.40 -3.178769125e+00 -3.178769125e+00 2.42 -3.413353628e+00 -3.413353628e+00 2.44 -3.622076657e+00 -3.622076657e+00 2.46 -3.806730561e+00 -3.806730561e+00 2.48 -3.969110018e+00 -3.969110018e+00 2.50 -4.110978409e+00 -4.110978409e+00 2.52 -4.234026592e+00 -4.234026592e+00 2.54 -4.339829153e+00 -4.339829153e+00 2.56 -4.429808880e+00 -4.429808880e+00 2.58 -4.505219605e+00 -4.505219605e+00 2.60 -4.567151128e+00 -4.567151128e+00 2.62 -4.616552005e+00 -4.616552005e+00 2.64 -4.654261257e+00 -4.654261257e+00 2.66 -4.681039838e+00 -4.681039838e+00 2.68 -4.697595549e+00 -4.697595549e+00 2.70 -4.704598604e+00 -4.704598604e+00 2.72 -4.702749817e+00 -4.702749817e+00 2.74 -4.692930794e+00 -4.692930794e+00 2.76 -4.676036547e+00 -4.676036547e+00 2.78 -4.652207392e+00 -4.652207392e+00 2.80 -4.621387262e+00 -4.621387262e+00 2.82 -4.583592130e+00 -4.583592130e+00 2.84 -4.538908596e+00 -4.538908596e+00 2.86 -4.487507492e+00 -4.487507492e+00 2.88 -4.429690143e+00 -4.429690143e+00 2.90 -4.365853181e+00 -4.365853181e+00 2.92 -4.296513128e+00 -4.296513128e+00 2.94 -4.222318562e+00 -4.222318562e+00 2.96 -4.143953403e+00 -4.143953403e+00 2.98 -4.062108446e+00 -4.062108446e+00 3.00 -3.977458013e+00 -3.977458013e+00 3.02 -3.890637421e+00 -3.890637421e+00 3.04 -3.802224041e+00 -3.802224041e+00 3.06 -3.712723458e+00 -3.712723458e+00 3.08 -3.622561077e+00 -3.622561077e+00 3.10 -3.532078961e+00 -3.532078961e+00 3.12 -3.441537329e+00 -3.441537329e+00 3.14 -3.351120080e+00 -3.351120080e+00 3.16 -3.260943570e+00 -3.260943570e+00 3.18 -3.171067851e+00 -3.171067851e+00 3.20 -3.081509486e+00 -3.081509486e+00 3.22 -2.992255189e+00 -2.992255189e+00 3.24 -2.903275586e+00 -2.903275586e+00 3.26 -2.814538556e+00 -2.814538556e+00 3.28 -2.726021701e+00 -2.726021701e+00 3.30 -2.637723510e+00 -2.637723510e+00 3.32 -2.549672796e+00 -2.549672796e+00 3.34 -2.461935952e+00 -2.461935952e+00 3.36 -2.374621532e+00 -2.374621532e+00 3.38 -2.287881756e+00 -2.287881756e+00 3.40 -2.201910638e+00 -2.201910638e+00 3.42 -2.116938649e+00 -2.116938649e+00 3.44 -2.033224152e+00 -2.033224152e+00 3.46 -1.951042157e+00 -1.951042157e+00 3.48 -1.870671263e+00 -1.870671263e+00 3.50 -1.792379927e+00 -1.792379927e+00 3.52 -1.716413274e+00 -1.716413274e+00 3.54 -1.642981639e+00 -1.642981639e+00 3.56 -1.572251802e+00 -1.572251802e+00 3.58 -1.504341535e+00 -1.504341535e+00 3.60 -1.439317669e+00 -1.439317669e+00 3.62 -1.377197515e+00 -1.377197515e+00 3.64 -1.317953136e+00 -1.317953136e+00 3.66 -1.261517774e+00 -1.261517774e+00 3.68 -1.207793649e+00 -1.207793649e+00 3.70 -1.156660357e+00 -1.156660357e+00 3.72 -1.107983177e+00 -1.107983177e+00 3.74 -1.061620715e+00 -1.061620715e+00 3.76 -1.017431455e+00 -1.017431455e+00 3.78 -9.752788839e-01 -9.752788839e-01 3.80 -9.350350279e-01 -9.350350279e-01 3.82 -8.965823582e-01 -8.965823582e-01 3.84 -8.598141808e-01 -8.598141808e-01 3.86 -8.246337869e-01 -8.246337869e-01 3.88 -7.909527712e-01 -7.909527712e-01 3.90 -7.586890029e-01 -7.586890029e-01 3.92 -7.277647316e-01 -7.277647316e-01 3.94 -6.981052181e-01 -6.981052181e-01 3.96 -6.696381130e-01 -6.696381130e-01 3.98 -6.422936251e-01 -6.422936251e-01 4.00 -6.160053340e-01 -6.160053340e-01 4.02 -5.907113858e-01 -5.907113858e-01 4.04 -5.663557452e-01 -5.663557452e-01 4.06 -5.428891917e-01 -5.428891917e-01 4.08 -5.202698032e-01 -5.202698032e-01 4.10 -4.984627764e-01 -4.984627764e-01 4.12 -4.774395558e-01 -4.774395558e-01 4.14 -4.571763578e-01 -4.571763578e-01 4.16 -4.376523063e-01 -4.376523063e-01 4.18 -4.188474460e-01 -4.188474460e-01 4.20 -4.007409351e-01 -4.007409351e-01 4.22 -3.833096745e-01 -3.833096745e-01 4.24 -3.665275510e-01 -3.665275510e-01 4.26 -3.503653535e-01 -3.503653535e-01 4.28 -3.347913093e-01 -3.347913093e-01 4.30 -3.197720919e-01 -3.197720919e-01 4.32 -3.052740932e-01 -3.052740932e-01 4.34 -2.912647385e-01 -2.912647385e-01 4.36 -2.777136390e-01 -2.777136390e-01 4.38 -2.645934262e-01 -2.645934262e-01 4.40 -2.518801735e-01 -2.518801735e-01 4.42 -2.395533843e-01 -2.395533843e-01 4.44 -2.275955916e-01 -2.275955916e-01 4.46 -2.159916806e-01 -2.159916806e-01 4.48 -2.047280725e-01 -2.047280725e-01 4.50 -1.937919409e-01 -1.937919409e-01 4.52 -1.831706285e-01 -1.831706285e-01 4.54 -1.728513625e-01 -1.728513625e-01 4.56 -1.628213509e-01 -1.628213509e-01 4.58 -1.530682203e-01 -1.530682203e-01 4.60 -1.435807772e-01 -1.435807772e-01 4.62 -1.343499679e-01 -1.343499679e-01 4.64 -1.253696978e-01 -1.253696978e-01 4.66 -1.166382071e-01 -1.166382071e-01 4.68 -1.081585981e-01 -1.081585981e-01 4.70 -9.993895798e-02 -9.993895798e-02 4.72 -9.199224568e-02 -9.199224568e-02 4.74 -8.433569128e-02 -8.433569128e-02 4.76 -7.698973728e-02 -7.698973728e-02 4.78 -6.997660979e-02 -6.997660979e-02 4.80 -6.331865521e-02 -6.331865521e-02 4.82 -5.703661158e-02 -5.703661158e-02 4.84 -5.114798531e-02 -5.114798531e-02 4.86 -4.566569870e-02 -4.566569870e-02 4.88 -4.059712254e-02 -4.059712254e-02 4.90 -3.594356120e-02 -3.594356120e-02 4.92 -3.170019674e-02 -3.170019674e-02 4.94 -2.785644664e-02 -2.785644664e-02 4.96 -2.439664794e-02 -2.439664794e-02 4.98 -2.130096622e-02 -2.130096622e-02 5.00 -1.854641874e-02 -1.854641874e-02 5.02 -1.610791254e-02 -1.610791254e-02 5.04 -1.395896631e-02 -1.395896631e-02 5.06 -1.207298868e-02 -1.207298868e-02 5.08 -1.042420738e-02 -1.042420738e-02 5.10 -8.987703582e-03 -8.987703582e-03 5.12 -7.739871014e-03 -7.739871014e-03 5.14 -6.658721702e-03 -6.658721702e-03 5.16 -5.724060956e-03 -5.724060956e-03 5.18 -4.917558366e-03 -4.917558366e-03 5.20 -4.222740037e-03 -4.222740037e-03 5.22 -3.624924253e-03 -3.624924253e-03 5.24 -3.111119132e-03 -3.111119132e-03 5.26 -2.669897144e-03 -2.669897144e-03 5.28 -2.291257877e-03 -2.291257877e-03 5.30 -1.966487499e-03 -1.966487499e-03 5.32 -1.688020841e-03 -1.688020841e-03 5.34 -1.449310087e-03 -1.449310087e-03 5.36 -1.244702500e-03 -1.244702500e-03 5.38 -1.069328494e-03 -1.069328494e-03 5.40 -9.190005566e-04 -9.190005566e-04 5.42 -7.901229264e-04 -7.901229264e-04 5.44 -6.796115925e-04 -6.796115925e-04 5.46 -5.848239303e-04 -5.848239303e-04 5.48 -5.034971733e-04 -5.034971733e-04 5.50 -4.336948696e-04 -4.336948696e-04 5.52 -3.737604706e-04 -3.737604706e-04 5.54 -3.222772350e-04 -3.222772350e-04 5.56 -2.780336811e-04 -2.780336811e-04 5.58 -2.399938873e-04 -2.399938873e-04 5.60 -2.072720061e-04 -2.072720061e-04 5.62 -1.791104276e-04 -1.791104276e-04 5.64 -1.548610910e-04 -1.548610910e-04 5.66 -1.339695069e-04 -1.339695069e-04 5.68 -1.159611056e-04 -1.159611056e-04 5.70 -1.004295806e-04 -1.004295806e-04 5.72 -8.702693923e-05 -8.702693923e-05 5.74 -7.545501241e-05 -7.545501241e-05 5.76 -6.545821078e-05 -6.545821078e-05 5.78 -5.681734471e-05 -5.681734471e-05 5.80 -4.934435146e-05 -4.934435146e-05 5.82 -4.287779602e-05 -4.287779602e-05 5.84 -3.727903127e-05 -3.727903127e-05 5.86 -3.242892019e-05 -3.242892019e-05 5.88 -2.822503697e-05 -2.822503697e-05 5.90 -2.457927634e-05 -2.457927634e-05 5.92 -2.141581081e-05 -2.141581081e-05 5.94 -1.866934447e-05 -1.866934447e-05 5.96 -1.628361979e-05 -1.628361979e-05 5.98 -1.421014007e-05 -1.421014007e-05 6.00 -1.240707602e-05 -1.240707602e-05