# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ag2NiPt # 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 2022-05-24 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 6.178378131e+02 6.178378131e+02 1.00 5.659124064e+02 5.659124064e+02 1.02 5.189173187e+02 5.189173187e+02 1.04 4.763263108e+02 4.763263108e+02 1.06 4.376743497e+02 4.376743497e+02 1.08 4.025482081e+02 4.025482081e+02 1.10 3.705837191e+02 3.705837191e+02 1.12 3.414585476e+02 3.414585476e+02 1.14 3.148854357e+02 3.148854357e+02 1.16 2.906134710e+02 2.906134710e+02 1.18 2.684130173e+02 2.684130173e+02 1.20 2.480827575e+02 2.480827575e+02 1.22 2.294413419e+02 2.294413419e+02 1.24 2.123298278e+02 2.123298278e+02 1.26 1.966034899e+02 1.966034899e+02 1.28 1.821321871e+02 1.821321871e+02 1.30 1.687991226e+02 1.687991226e+02 1.32 1.565027412e+02 1.565027412e+02 1.34 1.451499641e+02 1.451499641e+02 1.36 1.346579661e+02 1.346579661e+02 1.38 1.249521050e+02 1.249521050e+02 1.40 1.159644575e+02 1.159644575e+02 1.42 1.076324008e+02 1.076324008e+02 1.44 9.990300962e+01 9.990300962e+01 1.46 9.272707934e+01 9.272707934e+01 1.48 8.605935806e+01 8.605935806e+01 1.50 7.985959208e+01 7.985959208e+01 1.52 7.409136453e+01 7.409136453e+01 1.54 6.872051075e+01 6.872051075e+01 1.56 6.371672015e+01 6.371672015e+01 1.58 5.905274830e+01 5.905274830e+01 1.60 5.470409462e+01 5.470409462e+01 1.62 5.064621308e+01 5.064621308e+01 1.64 4.685955094e+01 4.685955094e+01 1.66 4.332503829e+01 4.332503829e+01 1.68 4.002505252e+01 4.002505252e+01 1.70 3.694316644e+01 3.694316644e+01 1.72 3.406358978e+01 3.406358978e+01 1.74 3.137373848e+01 3.137373848e+01 1.76 2.886087527e+01 2.886087527e+01 1.78 2.651279130e+01 2.651279130e+01 1.80 2.431889770e+01 2.431889770e+01 1.82 2.226933904e+01 2.226933904e+01 1.84 2.035475005e+01 2.035475005e+01 1.86 1.856634536e+01 1.856634536e+01 1.88 1.686431610e+01 1.686431610e+01 1.90 1.528679427e+01 1.528679427e+01 1.92 1.381923110e+01 1.381923110e+01 1.94 1.243949329e+01 1.243949329e+01 1.96 1.114370884e+01 1.114370884e+01 1.98 9.927631746e+00 9.927631746e+00 2.00 8.787664044e+00 8.787664044e+00 2.02 7.720134058e+00 7.720134058e+00 2.04 6.721493916e+00 6.721493916e+00 2.06 5.788179560e+00 5.788179560e+00 2.08 4.916859463e+00 4.916859463e+00 2.10 4.104554579e+00 4.104554579e+00 2.12 3.348162151e+00 3.348162151e+00 2.14 2.645003489e+00 2.645003489e+00 2.16 1.992318932e+00 1.992318932e+00 2.18 1.387564180e+00 1.387564180e+00 2.20 8.287983372e-01 8.287983372e-01 2.22 3.128710654e-01 3.128710654e-01 2.24 -1.624567976e-01 -1.624567976e-01 2.26 -5.993627536e-01 -5.993627536e-01 2.28 -9.999667770e-01 -9.999667770e-01 2.30 -1.366310387e+00 -1.366310387e+00 2.32 -1.700367034e+00 -1.700367034e+00 2.34 -2.003791411e+00 -2.003791411e+00 2.36 -2.278437626e+00 -2.278437626e+00 2.38 -2.525917262e+00 -2.525917262e+00 2.40 -2.748064516e+00 -2.748064516e+00 2.42 -2.946603476e+00 -2.946603476e+00 2.44 -3.122854269e+00 -3.122854269e+00 2.46 -3.278055248e+00 -3.278055248e+00 2.48 -3.413808285e+00 -3.413808285e+00 2.50 -3.531412583e+00 -3.531412583e+00 2.52 -3.632457183e+00 -3.632457183e+00 2.54 -3.717917747e+00 -3.717917747e+00 2.56 -3.788741687e+00 -3.788741687e+00 2.58 -3.846005130e+00 -3.846005130e+00 2.60 -3.890577772e+00 -3.890577772e+00 2.62 -3.923478701e+00 -3.923478701e+00 2.64 -3.945727380e+00 -3.945727380e+00 2.66 -3.958163636e+00 -3.958163636e+00 2.68 -3.961696518e+00 -3.961696518e+00 2.70 -3.957047088e+00 -3.957047088e+00 2.72 -3.944941964e+00 -3.944941964e+00 2.74 -3.926063341e+00 -3.926063341e+00 2.76 -3.901048046e+00 -3.901048046e+00 2.78 -3.870713683e+00 -3.870713683e+00 2.80 -3.835552205e+00 -3.835552205e+00 2.82 -3.795907363e+00 -3.795907363e+00 2.84 -3.751918832e+00 -3.751918832e+00 2.86 -3.704230466e+00 -3.704230466e+00 2.88 -3.653436407e+00 -3.653436407e+00 2.90 -3.599945828e+00 -3.599945828e+00 2.92 -3.544344020e+00 -3.544344020e+00 2.94 -3.486713359e+00 -3.486713359e+00 2.96 -3.426878863e+00 -3.426878863e+00 2.98 -3.365460969e+00 -3.365460969e+00 3.00 -3.302857136e+00 -3.302857136e+00 3.02 -3.239298855e+00 -3.239298855e+00 3.04 -3.174998729e+00 -3.174998729e+00 3.06 -3.110163664e+00 -3.110163664e+00 3.08 -3.044846124e+00 -3.044846124e+00 3.10 -2.979225799e+00 -2.979225799e+00 3.12 -2.913559245e+00 -2.913559245e+00 3.14 -2.847974879e+00 -2.847974879e+00 3.16 -2.782591416e+00 -2.782591416e+00 3.18 -2.717516186e+00 -2.717516186e+00 3.20 -2.652845808e+00 -2.652845808e+00 3.22 -2.588667052e+00 -2.588667052e+00 3.24 -2.525051158e+00 -2.525051158e+00 3.26 -2.462403442e+00 -2.462403442e+00 3.28 -2.400549351e+00 -2.400549351e+00 3.30 -2.339427412e+00 -2.339427412e+00 3.32 -2.279086511e+00 -2.279086511e+00 3.34 -2.219570253e+00 -2.219570253e+00 3.36 -2.160916851e+00 -2.160916851e+00 3.38 -2.103158846e+00 -2.103158846e+00 3.40 -2.046333923e+00 -2.046333923e+00 3.42 -1.990575384e+00 -1.990575384e+00 3.44 -1.935804376e+00 -1.935804376e+00 3.46 -1.881996624e+00 -1.881996624e+00 3.48 -1.829031074e+00 -1.829031074e+00 3.50 -1.776960911e+00 -1.776960911e+00 3.52 -1.725908539e+00 -1.725908539e+00 3.54 -1.675858796e+00 -1.675858796e+00 3.56 -1.626752298e+00 -1.626752298e+00 3.58 -1.578573000e+00 -1.578573000e+00 3.60 -1.531376658e+00 -1.531376658e+00 3.62 -1.485220318e+00 -1.485220318e+00 3.64 -1.440102201e+00 -1.440102201e+00 3.66 -1.396007872e+00 -1.396007872e+00 3.68 -1.352929932e+00 -1.352929932e+00 3.70 -1.310857036e+00 -1.310857036e+00 3.72 -1.269767978e+00 -1.269767978e+00 3.74 -1.229650060e+00 -1.229650060e+00 3.76 -1.190495678e+00 -1.190495678e+00 3.78 -1.152282905e+00 -1.152282905e+00 3.80 -1.114979133e+00 -1.114979133e+00 3.82 -1.078580851e+00 -1.078580851e+00 3.84 -1.043093929e+00 -1.043093929e+00 3.86 -1.008533507e+00 -1.008533507e+00 3.88 -9.748124174e-01 -9.748124174e-01 3.90 -9.417180544e-01 -9.417180544e-01 3.92 -9.093173849e-01 -9.093173849e-01 3.94 -8.777658626e-01 -8.777658626e-01 3.96 -8.472278614e-01 -8.472278614e-01 3.98 -8.178210896e-01 -8.178210896e-01 4.00 -7.896309369e-01 -7.896309369e-01 4.02 -7.627822119e-01 -7.627822119e-01 4.04 -7.374090686e-01 -7.374090686e-01 4.06 -7.132269327e-01 -7.132269327e-01 4.08 -6.897689930e-01 -6.897689930e-01 4.10 -6.666538476e-01 -6.666538476e-01 4.12 -6.436161004e-01 -6.436161004e-01 4.14 -6.204840190e-01 -6.204840190e-01 4.16 -5.972264543e-01 -5.972264543e-01 4.18 -5.742318964e-01 -5.742318964e-01 4.20 -5.509771019e-01 -5.509771019e-01 4.22 -5.274958347e-01 -5.274958347e-01 4.24 -5.038117289e-01 -5.038117289e-01 4.26 -4.799390706e-01 -4.799390706e-01 4.28 -4.559292905e-01 -4.559292905e-01 4.30 -4.320218803e-01 -4.320218803e-01 4.32 -4.084441043e-01 -4.084441043e-01 4.34 -3.853710058e-01 -3.853710058e-01 4.36 -3.629346609e-01 -3.629346609e-01 4.38 -3.412319424e-01 -3.412319424e-01 4.40 -3.203310169e-01 -3.203310169e-01 4.42 -3.002767750e-01 -3.002767750e-01 4.44 -2.810953529e-01 -2.810953529e-01 4.46 -2.627978957e-01 -2.627978957e-01 4.48 -2.453836817e-01 -2.453836817e-01 4.50 -2.288427011e-01 -2.288427011e-01 4.52 -2.131577818e-01 -2.131577818e-01 4.54 -1.983063365e-01 -1.983063365e-01 4.56 -1.842616912e-01 -1.842616912e-01 4.58 -1.709857449e-01 -1.709857449e-01 4.60 -1.586945842e-01 -1.586945842e-01 4.62 -1.473281373e-01 -1.473281373e-01 4.64 -1.366036525e-01 -1.366036525e-01 4.66 -1.264983401e-01 -1.264983401e-01 4.68 -1.169812290e-01 -1.169812290e-01 4.70 -1.080219344e-01 -1.080219344e-01 4.72 -9.959088202e-02 -9.959088202e-02 4.74 -9.165944858e-02 -9.165944858e-02 4.76 -8.420006105e-02 -8.420006105e-02 4.78 -7.719026686e-02 -7.719026686e-02 4.80 -7.060230640e-02 -7.060230640e-02 4.82 -6.555193326e-02 -6.555193326e-02 4.84 -6.088360240e-02 -6.088360240e-02 4.86 -5.648922963e-02 -5.648922963e-02 4.88 -5.235329088e-02 -5.235329088e-02 4.90 -4.846100589e-02 -4.846100589e-02 4.92 -4.479838534e-02 -4.479838534e-02 4.94 -4.135219848e-02 -4.135219848e-02 4.96 -3.810993952e-02 -3.810993952e-02 4.98 -3.505979421e-02 -3.505979421e-02 5.00 -3.219060665e-02 -3.219060665e-02 5.02 -2.949184725e-02 -2.949184725e-02 5.04 -2.695358110e-02 -2.695358110e-02 5.06 -2.456643663e-02 -2.456643663e-02 5.08 -2.232157598e-02 -2.232157598e-02 5.10 -2.021066650e-02 -2.021066650e-02 5.12 -1.822585349e-02 -1.822585349e-02 5.14 -1.635973390e-02 -1.635973390e-02 5.16 -1.460533116e-02 -1.460533116e-02 5.18 -1.295607145e-02 -1.295607145e-02 5.20 -1.140576112e-02 -1.140576112e-02 5.22 -9.948565392e-03 -9.948565392e-03 5.24 -8.578987758e-03 -8.578987758e-03 5.26 -7.291835985e-03 -7.291835985e-03 5.28 -6.083197936e-03 -6.083197936e-03 5.30 -4.969434510e-03 -4.969434510e-03 5.32 -4.389885124e-03 -4.389885124e-03 5.34 -3.861652512e-03 -3.861652512e-03 5.36 -3.370090054e-03 -3.370090054e-03 5.38 -2.909414984e-03 -2.909414984e-03 5.40 -2.477723205e-03 -2.477723205e-03 5.42 -2.073226008e-03 -2.073226008e-03 5.44 -1.694243143e-03 -1.694243143e-03 5.46 -1.339196328e-03 -1.339196328e-03 5.48 -1.006603166e-03 -1.006603166e-03 5.50 -6.950714267e-04 -6.950714267e-04 5.52 -4.032935930e-04 -4.032935930e-04 5.54 -1.282938518e-04 -1.282938518e-04 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 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