# 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 = AgCu2Mg # 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 1.905877879e+02 1.905877879e+02 1.30 1.759411473e+02 1.759411473e+02 1.32 1.624263042e+02 1.624263042e+02 1.34 1.499487659e+02 1.499487659e+02 1.36 1.384236453e+02 1.384236453e+02 1.38 1.277748472e+02 1.277748472e+02 1.40 1.179335702e+02 1.179335702e+02 1.42 1.088369570e+02 1.088369570e+02 1.44 1.004269543e+02 1.004269543e+02 1.46 9.264942639e+01 9.264942639e+01 1.48 8.545380274e+01 8.545380274e+01 1.50 7.879331414e+01 7.879331414e+01 1.52 7.262539067e+01 7.262539067e+01 1.54 6.691164077e+01 6.691164077e+01 1.56 6.161822186e+01 6.161822186e+01 1.58 5.671389677e+01 5.671389677e+01 1.60 5.216943565e+01 5.216943565e+01 1.62 4.795840112e+01 4.795840112e+01 1.64 4.405693971e+01 4.405693971e+01 1.66 4.044337412e+01 4.044337412e+01 1.68 3.709765167e+01 3.709765167e+01 1.70 3.400087232e+01 3.400087232e+01 1.72 3.113500237e+01 3.113500237e+01 1.74 2.848279078e+01 2.848279078e+01 1.76 2.602785799e+01 2.602785799e+01 1.78 2.375488930e+01 2.375488930e+01 1.80 2.164982417e+01 2.164982417e+01 1.82 1.969994683e+01 1.969994683e+01 1.84 1.789382438e+01 1.789382438e+01 1.86 1.622112863e+01 1.622112863e+01 1.88 1.467241128e+01 1.467241128e+01 1.90 1.323890943e+01 1.323890943e+01 1.92 1.191241670e+01 1.191241670e+01 1.94 1.068523154e+01 1.068523154e+01 1.96 9.550165950e+00 9.550165950e+00 1.98 8.500583666e+00 8.500583666e+00 2.00 7.530422512e+00 7.530422512e+00 2.02 6.634172658e+00 6.634172658e+00 2.04 5.806813011e+00 5.806813011e+00 2.06 5.043725943e+00 5.043725943e+00 2.08 4.340613891e+00 4.340613891e+00 2.10 3.693435361e+00 3.693435361e+00 2.12 3.098366801e+00 3.098366801e+00 2.14 2.551784759e+00 2.551784759e+00 2.16 2.050259100e+00 2.050259100e+00 2.18 1.590546301e+00 1.590546301e+00 2.20 1.169581011e+00 1.169581011e+00 2.22 7.844653856e-01 7.844653856e-01 2.24 4.324605348e-01 4.324605348e-01 2.26 1.109786993e-01 1.109786993e-01 2.28 -1.824266020e-01 -1.824266020e-01 2.30 -4.500684239e-01 -4.500684239e-01 2.32 -6.941286984e-01 -6.941286984e-01 2.34 -9.166413572e-01 -9.166413572e-01 2.36 -1.119464414e+00 -1.119464414e+00 2.38 -1.304251053e+00 -1.304251053e+00 2.40 -1.472438808e+00 -1.472438808e+00 2.42 -1.625265171e+00 -1.625265171e+00 2.44 -1.763803263e+00 -1.763803263e+00 2.46 -1.889005836e+00 -1.889005836e+00 2.48 -2.001748676e+00 -2.001748676e+00 2.50 -2.103253888e+00 -2.103253888e+00 2.52 -2.194176100e+00 -2.194176100e+00 2.54 -2.274794251e+00 -2.274794251e+00 2.56 -2.345449438e+00 -2.345449438e+00 2.58 -2.406533657e+00 -2.406533657e+00 2.60 -2.458482085e+00 -2.458482085e+00 2.62 -2.501767842e+00 -2.501767842e+00 2.64 -2.536944342e+00 -2.536944342e+00 2.66 -2.564643826e+00 -2.564643826e+00 2.68 -2.585403551e+00 -2.585403551e+00 2.70 -2.599778708e+00 -2.599778708e+00 2.72 -2.608333835e+00 -2.608333835e+00 2.74 -2.611625596e+00 -2.611625596e+00 2.76 -2.610182986e+00 -2.610182986e+00 2.78 -2.604488313e+00 -2.604488313e+00 2.80 -2.594964618e+00 -2.594964618e+00 2.82 -2.581975103e+00 -2.581975103e+00 2.84 -2.565825148e+00 -2.565825148e+00 2.86 -2.546768862e+00 -2.546768862e+00 2.88 -2.525023772e+00 -2.525023772e+00 2.90 -2.500785389e+00 -2.500785389e+00 2.92 -2.474239300e+00 -2.474239300e+00 2.94 -2.445569801e+00 -2.445569801e+00 2.96 -2.414965149e+00 -2.414965149e+00 2.98 -2.382619935e+00 -2.382619935e+00 3.00 -2.348735245e+00 -2.348735245e+00 3.02 -2.313517074e+00 -2.313517074e+00 3.04 -2.277173826e+00 -2.277173826e+00 3.06 -2.239928507e+00 -2.239928507e+00 3.08 -2.201970882e+00 -2.201970882e+00 3.10 -2.163469435e+00 -2.163469435e+00 3.12 -2.124577742e+00 -2.124577742e+00 3.14 -2.085430676e+00 -2.085430676e+00 3.16 -2.046140317e+00 -2.046140317e+00 3.18 -2.006796320e+00 -2.006796320e+00 3.20 -1.967467073e+00 -1.967467073e+00 3.22 -1.928198698e+00 -1.928198698e+00 3.24 -1.889001423e+00 -1.889001423e+00 3.26 -1.849872441e+00 -1.849872441e+00 3.28 -1.810809448e+00 -1.810809448e+00 3.30 -1.771813072e+00 -1.771813072e+00 3.32 -1.732888611e+00 -1.732888611e+00 3.34 -1.694046943e+00 -1.694046943e+00 3.36 -1.655304708e+00 -1.655304708e+00 3.38 -1.616683943e+00 -1.616683943e+00 3.40 -1.578211314e+00 -1.578211314e+00 3.42 -1.539917346e+00 -1.539917346e+00 3.44 -1.501835033e+00 -1.501835033e+00 3.46 -1.463998825e+00 -1.463998825e+00 3.48 -1.426443278e+00 -1.426443278e+00 3.50 -1.389201789e+00 -1.389201789e+00 3.52 -1.352305420e+00 -1.352305420e+00 3.54 -1.315781930e+00 -1.315781930e+00 3.56 -1.279655092e+00 -1.279655092e+00 3.58 -1.243944346e+00 -1.243944346e+00 3.60 -1.208664836e+00 -1.208664836e+00 3.62 -1.173827832e+00 -1.173827832e+00 3.64 -1.139441544e+00 -1.139441544e+00 3.66 -1.105512297e+00 -1.105512297e+00 3.68 -1.072046017e+00 -1.072046017e+00 3.70 -1.039049954e+00 -1.039049954e+00 3.72 -1.006534494e+00 -1.006534494e+00 3.74 -9.745148792e-01 -9.745148792e-01 3.76 -9.430125959e-01 -9.430125959e-01 3.78 -9.120561631e-01 -9.120561631e-01 3.80 -8.816810613e-01 -8.816810613e-01 3.82 -8.519286284e-01 -8.519286284e-01 3.84 -8.228438830e-01 -8.228438830e-01 3.86 -7.944724310e-01 -7.944724310e-01 3.88 -7.668568022e-01 -7.668568022e-01 3.90 -7.400327094e-01 -7.400327094e-01 3.92 -7.140256643e-01 -7.140256643e-01 3.94 -6.888490245e-01 -6.888490245e-01 3.96 -6.645021477e-01 -6.645021477e-01 3.98 -6.409709188e-01 -6.409709188e-01 4.00 -6.182287625e-01 -6.182287625e-01 4.02 -5.962385627e-01 -5.962385627e-01 4.04 -5.749550139e-01 -5.749550139e-01 4.06 -5.543270879e-01 -5.543270879e-01 4.08 -5.343003749e-01 -5.343003749e-01 4.10 -5.148188976e-01 -5.148188976e-01 4.12 -4.958280135e-01 -4.958280135e-01 4.14 -4.772741191e-01 -4.772741191e-01 4.16 -4.591071786e-01 -4.591071786e-01 4.18 -4.412815046e-01 -4.412815046e-01 4.20 -4.237567952e-01 -4.237567952e-01 4.22 -4.064991393e-01 -4.064991393e-01 4.24 -3.894820048e-01 -3.894820048e-01 4.26 -3.726871926e-01 -3.726871926e-01 4.28 -3.561057043e-01 -3.561057043e-01 4.30 -3.397384381e-01 -3.397384381e-01 4.32 -3.235966066e-01 -3.235966066e-01 4.34 -3.077017569e-01 -3.077017569e-01 4.36 -2.920852818e-01 -2.920852818e-01 4.38 -2.767873343e-01 -2.767873343e-01 4.40 -2.618551082e-01 -2.618551082e-01 4.42 -2.473405139e-01 -2.473405139e-01 4.44 -2.332973607e-01 -2.332973607e-01 4.46 -2.197782407e-01 -2.197782407e-01 4.48 -2.068313715e-01 -2.068313715e-01 4.50 -1.944976900e-01 -1.944976900e-01 4.52 -1.828084748e-01 -1.828084748e-01 4.54 -1.717837137e-01 -1.717837137e-01 4.56 -1.614313382e-01 -1.614313382e-01 4.58 -1.517473307e-01 -1.517473307e-01 4.60 -1.427166105e-01 -1.427166105e-01 4.62 -1.343145210e-01 -1.343145210e-01 4.64 -1.265087088e-01 -1.265087088e-01 4.66 -1.192611619e-01 -1.192611619e-01 4.68 -1.125302254e-01 -1.125302254e-01 4.70 -1.062724891e-01 -1.062724891e-01 4.72 -1.004443596e-01 -1.004443596e-01 4.74 -9.500242591e-02 -9.500242591e-02 4.76 -8.990697516e-02 -8.990697516e-02 4.78 -8.512148279e-02 -8.512148279e-02 4.80 -8.061224482e-02 -8.061224482e-02 4.82 -7.634973946e-02 -7.634973946e-02 4.84 -7.230752718e-02 -7.230752718e-02 4.86 -6.846327585e-02 -6.846327585e-02 4.88 -6.479844556e-02 -6.479844556e-02 4.90 -6.129811607e-02 -6.129811607e-02 4.92 -5.795072453e-02 -5.795072453e-02 4.94 -5.474768314e-02 -5.474768314e-02 4.96 -5.168304181e-02 -5.168304181e-02 4.98 -4.875305171e-02 -4.875305171e-02 5.00 -4.595561555e-02 -4.595561555e-02 5.02 -4.328977849e-02 -4.328977849e-02 5.04 -4.075522685e-02 -4.075522685e-02 5.06 -3.835182119e-02 -3.835182119e-02 5.08 -3.607918984e-02 -3.607918984e-02 5.10 -3.393640352e-02 -3.393640352e-02 5.12 -3.192174494e-02 -3.192174494e-02 5.14 -3.003257799e-02 -3.003257799e-02 5.16 -2.826531205e-02 -2.826531205e-02 5.18 -2.661544954e-02 -2.661544954e-02 5.20 -2.507769837e-02 -2.507769837e-02 5.22 -2.364613047e-02 -2.364613047e-02 5.24 -2.231436514e-02 -2.231436514e-02 5.26 -2.107575938e-02 -2.107575938e-02 5.28 -1.992359043e-02 -1.992359043e-02 5.30 -1.885121990e-02 -1.885121990e-02 5.32 -1.785223241e-02 -1.785223241e-02 5.34 -1.692054533e-02 -1.692054533e-02 5.36 -1.605048863e-02 -1.605048863e-02 5.38 -1.523685569e-02 -1.523685569e-02 5.40 -1.447492760e-02 -1.447492760e-02 5.42 -1.376045482e-02 -1.376045482e-02 5.44 -1.308963955e-02 -1.308963955e-02 5.46 -1.245917000e-02 -1.245917000e-02 5.48 -1.186611956e-02 -1.186611956e-02 5.50 -1.130789187e-02 -1.130789187e-02 5.52 -1.078216573e-02 -1.078216573e-02 5.54 -1.028684125e-02 -1.028684125e-02 5.56 -9.819991005e-03 -9.819991005e-03 5.58 -9.379818565e-03 -9.379818565e-03 5.60 -8.964626021e-03 -8.964626021e-03 5.62 -8.572790799e-03 -8.572790799e-03 5.64 -8.202751186e-03 -8.202751186e-03 5.66 -7.852999203e-03 -7.852999203e-03 5.68 -7.522079046e-03 -7.522079046e-03 5.70 -7.208589222e-03 -7.208589222e-03 5.72 -6.911186621e-03 -6.911186621e-03 5.74 -6.628591105e-03 -6.628591105e-03 5.76 -6.359589582e-03 -6.359589582e-03 5.78 -6.103038920e-03 -6.103038920e-03 5.80 -5.857867417e-03 -5.857867417e-03 5.82 -5.623074825e-03 -5.623074825e-03 5.84 -5.397731098e-03 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