# 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 = Al2CuW # 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 1.489950145e+02 1.489950145e+02 1.30 1.379461948e+02 1.379461948e+02 1.32 1.277283862e+02 1.277283862e+02 1.34 1.182713616e+02 1.182713616e+02 1.36 1.095098293e+02 1.095098293e+02 1.38 1.013854905e+02 1.013854905e+02 1.40 9.384745288e+01 9.384745288e+01 1.42 8.685063846e+01 8.685063846e+01 1.44 8.035325635e+01 8.035325635e+01 1.46 7.431498738e+01 7.431498738e+01 1.48 6.869714905e+01 6.869714905e+01 1.50 6.346453767e+01 6.346453767e+01 1.52 5.858710079e+01 5.858710079e+01 1.54 5.403995874e+01 5.403995874e+01 1.56 4.980206685e+01 4.980206685e+01 1.58 4.585470405e+01 4.585470405e+01 1.60 4.218045164e+01 4.218045164e+01 1.62 3.876257578e+01 3.876257578e+01 1.64 3.558461618e+01 3.558461618e+01 1.66 3.263049401e+01 3.263049401e+01 1.68 2.988352249e+01 2.988352249e+01 1.70 2.732728328e+01 2.732728328e+01 1.72 2.494644744e+01 2.494644744e+01 1.74 2.272717928e+01 2.272717928e+01 1.76 2.065734404e+01 2.065734404e+01 1.78 1.872918215e+01 1.872918215e+01 1.80 1.693540696e+01 1.693540696e+01 1.82 1.526768241e+01 1.526768241e+01 1.84 1.371858624e+01 1.371858624e+01 1.86 1.228138513e+01 1.228138513e+01 1.88 1.094979852e+01 1.094979852e+01 1.90 9.717773710e+00 9.717773710e+00 1.92 8.579293262e+00 8.579293262e+00 1.94 7.528242587e+00 7.528242587e+00 1.96 6.558372472e+00 6.558372472e+00 1.98 5.663381136e+00 5.663381136e+00 2.00 4.837102234e+00 4.837102234e+00 2.02 4.073733006e+00 4.073733006e+00 2.04 3.368004473e+00 3.368004473e+00 2.06 2.715221031e+00 2.715221031e+00 2.08 2.111173719e+00 2.111173719e+00 2.10 1.551999528e+00 1.551999528e+00 2.12 1.034069039e+00 1.034069039e+00 2.14 5.539448786e-01 5.539448786e-01 2.16 1.084060378e-01 1.084060378e-01 2.18 -3.054943910e-01 -3.054943910e-01 2.20 -6.903737020e-01 -6.903737020e-01 2.22 -1.048490512e+00 -1.048490512e+00 2.24 -1.381691248e+00 -1.381691248e+00 2.26 -1.691541226e+00 -1.691541226e+00 2.28 -1.979476611e+00 -1.979476611e+00 2.30 -2.246690831e+00 -2.246690831e+00 2.32 -2.494196472e+00 -2.494196472e+00 2.34 -2.722874524e+00 -2.722874524e+00 2.36 -2.933507957e+00 -2.933507957e+00 2.38 -3.126804878e+00 -3.126804878e+00 2.40 -3.303370008e+00 -3.303370008e+00 2.42 -3.463618358e+00 -3.463618358e+00 2.44 -3.607970340e+00 -3.607970340e+00 2.46 -3.736906163e+00 -3.736906163e+00 2.48 -3.850975374e+00 -3.850975374e+00 2.50 -3.950806519e+00 -3.950806519e+00 2.52 -4.037116443e+00 -4.037116443e+00 2.54 -4.110719680e+00 -4.110719680e+00 2.56 -4.172536069e+00 -4.172536069e+00 2.58 -4.223590148e+00 -4.223590148e+00 2.60 -4.264992555e+00 -4.264992555e+00 2.62 -4.297896241e+00 -4.297896241e+00 2.64 -4.323430022e+00 -4.323430022e+00 2.66 -4.342623678e+00 -4.342623678e+00 2.68 -4.356345467e+00 -4.356345467e+00 2.70 -4.365268205e+00 -4.365268205e+00 2.72 -4.369874454e+00 -4.369874454e+00 2.74 -4.370707038e+00 -4.370707038e+00 2.76 -4.367822286e+00 -4.367822286e+00 2.78 -4.361025826e+00 -4.361025826e+00 2.80 -4.350128639e+00 -4.350128639e+00 2.82 -4.335069911e+00 -4.335069911e+00 2.84 -4.316849238e+00 -4.316849238e+00 2.86 -4.295298111e+00 -4.295298111e+00 2.88 -4.269968672e+00 -4.269968672e+00 2.90 -4.240579548e+00 -4.240579548e+00 2.92 -4.206976810e+00 -4.206976810e+00 2.94 -4.169120770e+00 -4.169120770e+00 2.96 -4.127080146e+00 -4.127080146e+00 2.98 -4.081023910e+00 -4.081023910e+00 3.00 -4.031217703e+00 -4.031217703e+00 3.02 -3.978029517e+00 -3.978029517e+00 3.04 -3.921886080e+00 -3.921886080e+00 3.06 -3.863240361e+00 -3.863240361e+00 3.08 -3.802544890e+00 -3.802544890e+00 3.10 -3.740223920e+00 -3.740223920e+00 3.12 -3.676648041e+00 -3.676648041e+00 3.14 -3.612115092e+00 -3.612115092e+00 3.16 -3.546839817e+00 -3.546839817e+00 3.18 -3.480953394e+00 -3.480953394e+00 3.20 -3.414511505e+00 -3.414511505e+00 3.22 -3.347508681e+00 -3.347508681e+00 3.24 -3.279896124e+00 -3.279896124e+00 3.26 -3.211600605e+00 -3.211600605e+00 3.28 -3.142542707e+00 -3.142542707e+00 3.30 -3.072653405e+00 -3.072653405e+00 3.32 -3.001888438e+00 -3.001888438e+00 3.34 -2.930240163e+00 -2.930240163e+00 3.36 -2.857746601e+00 -2.857746601e+00 3.38 -2.784497337e+00 -2.784497337e+00 3.40 -2.710635889e+00 -2.710635889e+00 3.42 -2.636358248e+00 -2.636358248e+00 3.44 -2.561907411e+00 -2.561907411e+00 3.46 -2.487564192e+00 -2.487564192e+00 3.48 -2.413634865e+00 -2.413634865e+00 3.50 -2.340436658e+00 -2.340436658e+00 3.52 -2.268282419e+00 -2.268282419e+00 3.54 -2.197465867e+00 -2.197465867e+00 3.56 -2.128248776e+00 -2.128248776e+00 3.58 -2.060851151e+00 -2.060851151e+00 3.60 -1.995445030e+00 -1.995445030e+00 3.62 -1.932152079e+00 -1.932152079e+00 3.64 -1.871044717e+00 -1.871044717e+00 3.66 -1.812150171e+00 -1.812150171e+00 3.68 -1.755456688e+00 -1.755456688e+00 3.70 -1.700921039e+00 -1.700921039e+00 3.72 -1.648476504e+00 -1.648476504e+00 3.74 -1.598040634e+00 -1.598040634e+00 3.76 -1.549522197e+00 -1.549522197e+00 3.78 -1.502826899e+00 -1.502826899e+00 3.80 -1.457861604e+00 -1.457861604e+00 3.82 -1.414536940e+00 -1.414536940e+00 3.84 -1.372768369e+00 -1.372768369e+00 3.86 -1.332475919e+00 -1.332475919e+00 3.88 -1.293582979e+00 -1.293582979e+00 3.90 -1.256014568e+00 -1.256014568e+00 3.92 -1.219695558e+00 -1.219695558e+00 3.94 -1.184549255e+00 -1.184549255e+00 3.96 -1.150496500e+00 -1.150496500e+00 3.98 -1.117455514e+00 -1.117455514e+00 4.00 -1.085342361e+00 -1.085342361e+00 4.02 -1.054071926e+00 -1.054071926e+00 4.04 -1.023559252e+00 -1.023559252e+00 4.06 -9.937210884e-01 -9.937210884e-01 4.08 -9.644775576e-01 -9.644775576e-01 4.10 -9.357538466e-01 -9.357538466e-01 4.12 -9.074820470e-01 -9.074820470e-01 4.14 -8.796028002e-01 -8.796028002e-01 4.16 -8.520671739e-01 -8.520671739e-01 4.18 -8.248383674e-01 -8.248383674e-01 4.20 -7.978932802e-01 -7.978932802e-01 4.22 -7.712237619e-01 -7.712237619e-01 4.24 -7.448373472e-01 -7.448373472e-01 4.26 -7.187572699e-01 -7.187572699e-01 4.28 -6.930215831e-01 -6.930215831e-01 4.30 -6.676812887e-01 -6.676812887e-01 4.32 -6.427974966e-01 -6.427974966e-01 4.34 -6.184377646e-01 -6.184377646e-01 4.36 -5.946719013e-01 -5.946719013e-01 4.38 -5.715675895e-01 -5.715675895e-01 4.40 -5.491862195e-01 -5.491862195e-01 4.42 -5.275792758e-01 -5.275792758e-01 4.44 -5.067855337e-01 -5.067855337e-01 4.46 -4.868292016e-01 -4.868292016e-01 4.48 -4.677190374e-01 -4.677190374e-01 4.50 -4.494483673e-01 -4.494483673e-01 4.52 -4.319958805e-01 -4.319958805e-01 4.54 -4.153270346e-01 -4.153270346e-01 4.56 -3.993958989e-01 -3.993958989e-01 4.58 -3.841472753e-01 -3.841472753e-01 4.60 -3.695189503e-01 -3.695189503e-01 4.62 -3.554439248e-01 -3.554439248e-01 4.64 -3.418525524e-01 -3.418525524e-01 4.66 -3.286745482e-01 -3.286745482e-01 4.68 -3.158408337e-01 -3.158408337e-01 4.70 -3.032851511e-01 -3.032851511e-01 4.72 -2.909450265e-01 -2.909450265e-01 4.74 -2.787645070e-01 -2.787645070e-01 4.76 -2.666947029e-01 -2.666947029e-01 4.78 -2.546946212e-01 -2.546946212e-01 4.80 -2.427323648e-01 -2.427323648e-01 4.82 -2.307862418e-01 -2.307862418e-01 4.84 -2.188455728e-01 -2.188455728e-01 4.86 -2.069113700e-01 -2.069113700e-01 4.88 -1.949966144e-01 -1.949966144e-01 4.90 -1.831261095e-01 -1.831261095e-01 4.92 -1.713358115e-01 -1.713358115e-01 4.94 -1.596715792e-01 -1.596715792e-01 4.96 -1.481873335e-01 -1.481873335e-01 4.98 -1.369426843e-01 -1.369426843e-01 5.00 -1.260001452e-01 -1.260001452e-01 5.02 -1.154221208e-01 -1.154221208e-01 5.04 -1.052678902e-01 -1.052678902e-01 5.06 -9.559082333e-02 -9.559082333e-02 5.08 -8.643604432e-02 -8.643604432e-02 5.10 -7.783870745e-02 -7.783870745e-02 5.12 -6.982297785e-02 -6.982297785e-02 5.14 -6.240173234e-02 -6.240173234e-02 5.16 -5.557692236e-02 -5.557692236e-02 5.18 -4.934048491e-02 -4.934048491e-02 5.20 -4.367565406e-02 -4.367565406e-02 5.22 -3.855851520e-02 -3.855851520e-02 5.24 -3.395965359e-02 -3.395965359e-02 5.26 -2.984577272e-02 -2.984577272e-02 5.28 -2.618118871e-02 -2.618118871e-02 5.30 -2.292913672e-02 -2.292913672e-02 5.32 -2.005286272e-02 -2.005286272e-02 5.34 -1.751648891e-02 -1.751648891e-02 5.36 -1.528565923e-02 -1.528565923e-02 5.38 -1.332768446e-02 -1.332768446e-02 5.40 -1.161252053e-02 -1.161252053e-02 5.42 -1.011272282e-02 -1.011272282e-02 5.44 -8.803193677e-03 -8.803193677e-03 5.46 -7.661196202e-03 -7.661196202e-03 5.48 -6.666291767e-03 -6.666291767e-03 5.50 -5.800226350e-03 -5.800226350e-03 5.52 -5.046785054e-03 -5.046785054e-03 5.54 -4.391629493e-03 -4.391629493e-03 5.56 -3.822128713e-03 -3.822128713e-03 5.58 -3.327191231e-03 -3.327191231e-03 5.60 -2.897103287e-03 -2.897103287e-03 5.62 -2.523376555e-03 -2.523376555e-03 5.64 -2.198607181e-03 -2.198607181e-03 5.66 -1.916347007e-03 -1.916347007e-03 5.68 -1.670987153e-03 -1.670987153e-03 5.70 -1.457653637e-03 -1.457653637e-03 5.72 -1.272114435e-03 -1.272114435e-03 5.74 -1.110697177e-03 -1.110697177e-03 5.76 -9.702165873e-04 -9.702165873e-04 5.78 -8.479107759e-04 -8.479107759e-04 5.80 -7.413854535e-04 -7.413854535e-04 5.82 -6.485652266e-04 -6.485652266e-04 5.84 -5.676511574e-04 -5.676511574e-04 5.86 -4.970838488e-04 -4.970838488e-04 5.88 -4.355113815e-04 -4.355113815e-04 5.90 -3.817614984e-04 -3.817614984e-04 5.92 -3.348174950e-04 -3.348174950e-04 5.94 -2.937973378e-04 -2.937973378e-04 5.96 -2.579355896e-04 -2.579355896e-04 5.98 -2.265677696e-04 -2.265677696e-04 6.00 -1.991168248e-04 -1.991168248e-04