# 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 = AlAuMo2 # 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 2.603736239e+02 2.603736239e+02 1.30 2.416660806e+02 2.416660806e+02 1.32 2.243127315e+02 2.243127315e+02 1.34 2.082011357e+02 2.082011357e+02 1.36 1.932325443e+02 1.932325443e+02 1.38 1.793202774e+02 1.793202774e+02 1.40 1.663872689e+02 1.663872689e+02 1.42 1.543630701e+02 1.543630701e+02 1.44 1.431815226e+02 1.431815226e+02 1.46 1.327796926e+02 1.327796926e+02 1.48 1.230979258e+02 1.230979258e+02 1.50 1.140807062e+02 1.140807062e+02 1.52 1.056776759e+02 1.056776759e+02 1.54 9.784397349e+01 9.784397349e+01 1.56 9.053962793e+01 9.053962793e+01 1.58 8.372842636e+01 8.372842636e+01 1.60 7.737676119e+01 7.737676119e+01 1.62 7.145271225e+01 7.145271225e+01 1.64 6.592545887e+01 6.592545887e+01 1.66 6.076510585e+01 6.076510585e+01 1.68 5.594298538e+01 5.594298538e+01 1.70 5.143234513e+01 5.143234513e+01 1.72 4.720913350e+01 4.720913350e+01 1.74 4.325254560e+01 4.325254560e+01 1.76 3.954554904e+01 3.954554904e+01 1.78 3.607816137e+01 3.607816137e+01 1.80 3.284960745e+01 3.284960745e+01 1.82 2.985293643e+01 2.985293643e+01 1.84 2.707764888e+01 2.707764888e+01 1.86 2.451129313e+01 2.451129313e+01 1.88 2.214113793e+01 2.214113793e+01 1.90 1.995450413e+01 1.995450413e+01 1.92 1.793894755e+01 1.793894755e+01 1.94 1.608237080e+01 1.608237080e+01 1.96 1.437303817e+01 1.437303817e+01 1.98 1.279955940e+01 1.279955940e+01 2.00 1.135092906e+01 1.135092906e+01 2.02 1.001664512e+01 1.001664512e+01 2.04 8.786849462e+00 8.786849462e+00 2.06 7.652414188e+00 7.652414188e+00 2.08 6.604947515e+00 6.604947515e+00 2.10 5.636752296e+00 5.636752296e+00 2.12 4.740787726e+00 4.740787726e+00 2.14 3.910660878e+00 3.910660878e+00 2.16 3.140641443e+00 3.140641443e+00 2.18 2.425674497e+00 2.425674497e+00 2.20 1.761367907e+00 1.761367907e+00 2.22 1.143944602e+00 1.143944602e+00 2.24 5.701647273e-01 5.701647273e-01 2.26 3.723174664e-02 3.723174664e-02 2.28 -4.573017184e-01 -4.573017184e-01 2.30 -9.156163308e-01 -9.156163308e-01 2.32 -1.339690823e+00 -1.339690823e+00 2.34 -1.731348572e+00 -1.731348572e+00 2.36 -2.092289097e+00 -2.092289097e+00 2.38 -2.424108569e+00 -2.424108569e+00 2.40 -2.728313363e+00 -2.728313363e+00 2.42 -3.006329755e+00 -3.006329755e+00 2.44 -3.259512050e+00 -3.259512050e+00 2.46 -3.489150957e+00 -3.489150957e+00 2.48 -3.696483631e+00 -3.696483631e+00 2.50 -3.882706299e+00 -3.882706299e+00 2.52 -4.048989403e+00 -4.048989403e+00 2.54 -4.196351952e+00 -4.196351952e+00 2.56 -4.325842372e+00 -4.325842372e+00 2.58 -4.438908288e+00 -4.438908288e+00 2.60 -4.536969747e+00 -4.536969747e+00 2.62 -4.621383216e+00 -4.621383216e+00 2.64 -4.693403447e+00 -4.693403447e+00 2.66 -4.754145715e+00 -4.754145715e+00 2.68 -4.804562902e+00 -4.804562902e+00 2.70 -4.845301214e+00 -4.845301214e+00 2.72 -4.876497493e+00 -4.876497493e+00 2.74 -4.898222392e+00 -4.898222392e+00 2.76 -4.910577564e+00 -4.910577564e+00 2.78 -4.913704456e+00 -4.913704456e+00 2.80 -4.907790575e+00 -4.907790575e+00 2.82 -4.893073628e+00 -4.893073628e+00 2.84 -4.869844895e+00 -4.869844895e+00 2.86 -4.838452960e+00 -4.838452960e+00 2.88 -4.799732165e+00 -4.799732165e+00 2.90 -4.754554917e+00 -4.754554917e+00 2.92 -4.703143272e+00 -4.703143272e+00 2.94 -4.645831309e+00 -4.645831309e+00 2.96 -4.583057298e+00 -4.583057298e+00 2.98 -4.515344617e+00 -4.515344617e+00 3.00 -4.443277359e+00 -4.443277359e+00 3.02 -4.367471621e+00 -4.367471621e+00 3.04 -4.288551067e+00 -4.288551067e+00 3.06 -4.207122081e+00 -4.207122081e+00 3.08 -4.123725060e+00 -4.123725060e+00 3.10 -4.038813672e+00 -4.038813672e+00 3.12 -3.952739587e+00 -3.952739587e+00 3.14 -3.865746007e+00 -3.865746007e+00 3.16 -3.777970765e+00 -3.777970765e+00 3.18 -3.689458161e+00 -3.689458161e+00 3.20 -3.600177367e+00 -3.600177367e+00 3.22 -3.510044981e+00 -3.510044981e+00 3.24 -3.418949377e+00 -3.418949377e+00 3.26 -3.326775021e+00 -3.326775021e+00 3.28 -3.233425480e+00 -3.233425480e+00 3.30 -3.138844326e+00 -3.138844326e+00 3.32 -3.043033274e+00 -3.043033274e+00 3.34 -2.946066862e+00 -2.946066862e+00 3.36 -2.848102832e+00 -2.848102832e+00 3.38 -2.749387232e+00 -2.749387232e+00 3.40 -2.650253347e+00 -2.650253347e+00 3.42 -2.551113869e+00 -2.551113869e+00 3.44 -2.452446300e+00 -2.452446300e+00 3.46 -2.354772420e+00 -2.354772420e+00 3.48 -2.258633416e+00 -2.258633416e+00 3.50 -2.164562974e+00 -2.164562974e+00 3.52 -2.073060967e+00 -2.073060967e+00 3.54 -1.984570295e+00 -1.984570295e+00 3.56 -1.899458922e+00 -1.899458922e+00 3.58 -1.818008384e+00 -1.818008384e+00 3.60 -1.740409123e+00 -1.740409123e+00 3.62 -1.666762143e+00 -1.666762143e+00 3.64 -1.597085868e+00 -1.597085868e+00 3.66 -1.531326720e+00 -1.531326720e+00 3.68 -1.469371845e+00 -1.469371845e+00 3.70 -1.411062561e+00 -1.411062561e+00 3.72 -1.356207395e+00 -1.356207395e+00 3.74 -1.304593885e+00 -1.304593885e+00 3.76 -1.255998686e+00 -1.255998686e+00 3.78 -1.210195761e+00 -1.210195761e+00 3.80 -1.166962692e+00 -1.166962692e+00 3.82 -1.126085242e+00 -1.126085242e+00 3.84 -1.087360420e+00 -1.087360420e+00 3.86 -1.050598304e+00 -1.050598304e+00 3.88 -1.015622898e+00 -1.015622898e+00 3.90 -9.822722533e-01 -9.822722533e-01 3.92 -9.503980829e-01 -9.503980829e-01 3.94 -9.198650600e-01 -9.198650600e-01 3.96 -8.905498909e-01 -8.905498909e-01 3.98 -8.623403611e-01 -8.623403611e-01 4.00 -8.351343815e-01 -8.351343815e-01 4.02 -8.088391313e-01 -8.088391313e-01 4.04 -7.833703473e-01 -7.833703473e-01 4.06 -7.586517970e-01 -7.586517970e-01 4.08 -7.346149624e-01 -7.346149624e-01 4.10 -7.111989316e-01 -7.111989316e-01 4.12 -6.883505710e-01 -6.883505710e-01 4.14 -6.660247488e-01 -6.660247488e-01 4.16 -6.441848339e-01 -6.441848339e-01 4.18 -6.228031723e-01 -6.228031723e-01 4.20 -6.018615183e-01 -6.018615183e-01 4.22 -5.813512679e-01 -5.813512679e-01 4.24 -5.612733495e-01 -5.612733495e-01 4.26 -5.416376336e-01 -5.416376336e-01 4.28 -5.224617685e-01 -5.224617685e-01 4.30 -5.037694120e-01 -5.037694120e-01 4.32 -4.855879226e-01 -4.855879226e-01 4.34 -4.679456726e-01 -4.679456726e-01 4.36 -4.508692091e-01 -4.508692091e-01 4.38 -4.343805583e-01 -4.343805583e-01 4.40 -4.184949354e-01 -4.184949354e-01 4.42 -4.032190948e-01 -4.032190948e-01 4.44 -3.885504342e-01 -3.885504342e-01 4.46 -3.744768589e-01 -3.744768589e-01 4.48 -3.609772114e-01 -3.609772114e-01 4.50 -3.480223900e-01 -3.480223900e-01 4.52 -3.355771891e-01 -3.355771891e-01 4.54 -3.236013752e-01 -3.236013752e-01 4.56 -3.120512417e-01 -3.120512417e-01 4.58 -3.008810684e-01 -3.008810684e-01 4.60 -2.900443940e-01 -2.900443940e-01 4.62 -2.794949740e-01 -2.794949740e-01 4.64 -2.691877453e-01 -2.691877453e-01 4.66 -2.590799364e-01 -2.590799364e-01 4.68 -2.491312436e-01 -2.491312436e-01 4.70 -2.393044328e-01 -2.393044328e-01 4.72 -2.295659322e-01 -2.295659322e-01 4.74 -2.198864302e-01 -2.198864302e-01 4.76 -2.102415029e-01 -2.102415029e-01 4.78 -2.006122754e-01 -2.006122754e-01 4.80 -1.909860950e-01 -1.909860950e-01 4.82 -1.813572150e-01 -1.813572150e-01 4.84 -1.717273372e-01 -1.717273372e-01 4.86 -1.621060677e-01 -1.621060677e-01 4.88 -1.525111028e-01 -1.525111028e-01 4.90 -1.429681004e-01 -1.429681004e-01 4.92 -1.335101592e-01 -1.335101592e-01 4.94 -1.241768618e-01 -1.241768618e-01 4.96 -1.150128779e-01 -1.150128779e-01 4.98 -1.060661733e-01 -1.060661733e-01 5.00 -9.738592498e-02 -9.738592498e-02 5.02 -8.902028280e-02 -8.902028280e-02 5.04 -8.101415222e-02 -8.101415222e-02 5.06 -7.340717527e-02 -7.340717527e-02 5.08 -6.623207020e-02 -6.623207020e-02 5.10 -5.951344893e-02 -5.951344893e-02 5.12 -5.326717621e-02 -5.326717621e-02 5.14 -4.750027200e-02 -4.750027200e-02 5.16 -4.221131658e-02 -4.221131658e-02 5.18 -3.739125491e-02 -3.739125491e-02 5.20 -3.302447820e-02 -3.302447820e-02 5.22 -2.909007608e-02 -2.909007608e-02 5.24 -2.556313358e-02 -2.556313358e-02 5.26 -2.241601607e-02 -2.241601607e-02 5.28 -1.961952374e-02 -1.961952374e-02 5.30 -1.714388079e-02 -1.714388079e-02 5.32 -1.495916065e-02 -1.495916065e-02 5.34 -1.303685400e-02 -1.303685400e-02 5.36 -1.135001483e-02 -1.135001483e-02 5.38 -9.873247970e-03 -9.873247970e-03 5.40 -8.582965835e-03 -8.582965835e-03 5.42 -7.457521030e-03 -7.457521030e-03 5.44 -6.477243939e-03 -6.477243939e-03 5.46 -5.624410572e-03 -5.624410572e-03 5.48 -4.883161771e-03 -4.883161771e-03 5.50 -4.239390673e-03 -4.239390673e-03 5.52 -3.680611598e-03 -3.680611598e-03 5.54 -3.195820243e-03 -3.195820243e-03 5.56 -2.775352390e-03 -2.775352390e-03 5.58 -2.410746112e-03 -2.410746112e-03 5.60 -2.094610848e-03 -2.094610848e-03 5.62 -1.820505334e-03 -1.820505334e-03 5.64 -1.582825494e-03 -1.582825494e-03 5.66 -1.376702668e-03 -1.376702668e-03 5.68 -1.197912096e-03 -1.197912096e-03 5.70 -1.042791239e-03 -1.042791239e-03 5.72 -9.081673445e-04 -9.081673445e-04 5.74 -7.912935401e-04 -7.912935401e-04 5.76 -6.897926834e-04 -6.897926834e-04 5.78 -6.016082096e-04 -6.016082096e-04 5.80 -5.249612256e-04 -5.249612256e-04 5.82 -4.583131519e-04 -4.583131519e-04 5.84 -4.003332571e-04 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