# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgCu2Pd # 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 3.599328212e+02 3.599328212e+02 1.00 3.308991823e+02 3.308991823e+02 1.02 3.046227490e+02 3.046227490e+02 1.04 2.807954913e+02 2.807954913e+02 1.06 2.591378079e+02 2.591378079e+02 1.08 2.394160186e+02 2.394160186e+02 1.10 2.214235911e+02 2.214235911e+02 1.12 2.049745406e+02 2.049745406e+02 1.14 1.899020871e+02 1.899020871e+02 1.16 1.760669437e+02 1.760669437e+02 1.18 1.633482099e+02 1.633482099e+02 1.20 1.516348594e+02 1.516348594e+02 1.22 1.408255318e+02 1.408255318e+02 1.24 1.308416438e+02 1.308416438e+02 1.26 1.216058305e+02 1.216058305e+02 1.28 1.130512117e+02 1.130512117e+02 1.30 1.051149864e+02 1.051149864e+02 1.32 9.774367856e+01 9.774367856e+01 1.34 9.089270082e+01 9.089270082e+01 1.36 8.451888017e+01 8.451888017e+01 1.38 7.858244659e+01 7.858244659e+01 1.40 7.305095185e+01 7.305095185e+01 1.42 6.789309405e+01 6.789309405e+01 1.44 6.307956088e+01 6.307956088e+01 1.46 5.858373957e+01 5.858373957e+01 1.48 5.438464547e+01 5.438464547e+01 1.50 5.046292883e+01 5.046292883e+01 1.52 4.679895311e+01 4.679895311e+01 1.54 4.337369348e+01 4.337369348e+01 1.56 4.017185972e+01 4.017185972e+01 1.58 3.717886221e+01 3.717886221e+01 1.60 3.438170074e+01 3.438170074e+01 1.62 3.176754825e+01 3.176754825e+01 1.64 2.932433098e+01 2.932433098e+01 1.66 2.704032555e+01 2.704032555e+01 1.68 2.490557693e+01 2.490557693e+01 1.70 2.291162704e+01 2.291162704e+01 1.72 2.103315386e+01 2.103315386e+01 1.74 1.929375195e+01 1.929375195e+01 1.76 1.766507569e+01 1.766507569e+01 1.78 1.614712318e+01 1.614712318e+01 1.80 1.473180186e+01 1.473180186e+01 1.82 1.341312852e+01 1.341312852e+01 1.84 1.214857685e+01 1.214857685e+01 1.86 1.098288131e+01 1.098288131e+01 1.88 9.882646603e+00 9.882646603e+00 1.90 8.845103922e+00 8.845103922e+00 1.92 7.867482609e+00 7.867482609e+00 1.94 6.945951638e+00 6.945951638e+00 1.96 6.080170773e+00 6.080170773e+00 1.98 5.266854956e+00 5.266854956e+00 2.00 4.504391114e+00 4.504391114e+00 2.02 3.791097996e+00 3.791097996e+00 2.04 3.124855219e+00 3.124855219e+00 2.06 2.503404383e+00 2.503404383e+00 2.08 1.924623943e+00 1.924623943e+00 2.10 1.386843992e+00 1.386843992e+00 2.12 8.878515170e-01 8.878515170e-01 2.14 4.259390332e-01 4.259390332e-01 2.16 -1.001284833e-03 -1.001284833e-03 2.18 -3.944825492e-01 -3.944825492e-01 2.20 -7.561900858e-01 -7.561900858e-01 2.22 -1.087895532e+00 -1.087895532e+00 2.24 -1.391039778e+00 -1.391039778e+00 2.26 -1.665972652e+00 -1.665972652e+00 2.28 -1.915768370e+00 -1.915768370e+00 2.30 -2.141959921e+00 -2.141959921e+00 2.32 -2.345986870e+00 -2.345986870e+00 2.34 -2.529130531e+00 -2.529130531e+00 2.36 -2.692367607e+00 -2.692367607e+00 2.38 -2.837193044e+00 -2.837193044e+00 2.40 -2.964828750e+00 -2.964828750e+00 2.42 -3.076421325e+00 -3.076421325e+00 2.44 -3.173022668e+00 -3.173022668e+00 2.46 -3.255650215e+00 -3.255650215e+00 2.48 -3.324986920e+00 -3.324986920e+00 2.50 -3.382279528e+00 -3.382279528e+00 2.52 -3.428384177e+00 -3.428384177e+00 2.54 -3.464135165e+00 -3.464135165e+00 2.56 -3.490314169e+00 -3.490314169e+00 2.58 -3.507615021e+00 -3.507615021e+00 2.60 -3.518181995e+00 -3.518181995e+00 2.62 -3.521538326e+00 -3.521538326e+00 2.64 -3.517788795e+00 -3.517788795e+00 2.66 -3.507779761e+00 -3.507779761e+00 2.68 -3.492050898e+00 -3.492050898e+00 2.70 -3.471052725e+00 -3.471052725e+00 2.72 -3.445270691e+00 -3.445270691e+00 2.74 -3.415160033e+00 -3.415160033e+00 2.76 -3.381144339e+00 -3.381144339e+00 2.78 -3.343856583e+00 -3.343856583e+00 2.80 -3.303584525e+00 -3.303584525e+00 2.82 -3.260443293e+00 -3.260443293e+00 2.84 -3.213371579e+00 -3.213371579e+00 2.86 -3.164076132e+00 -3.164076132e+00 2.88 -3.112956630e+00 -3.112956630e+00 2.90 -3.060278354e+00 -3.060278354e+00 2.92 -3.006350015e+00 -3.006350015e+00 2.94 -2.951299759e+00 -2.951299759e+00 2.96 -2.895325796e+00 -2.895325796e+00 2.98 -2.838659298e+00 -2.838659298e+00 3.00 -2.780880421e+00 -2.780880421e+00 3.02 -2.722461092e+00 -2.722461092e+00 3.04 -2.664205287e+00 -2.664205287e+00 3.06 -2.606329298e+00 -2.606329298e+00 3.08 -2.548383881e+00 -2.548383881e+00 3.10 -2.490525579e+00 -2.490525579e+00 3.12 -2.432880786e+00 -2.432880786e+00 3.14 -2.375535138e+00 -2.375535138e+00 3.16 -2.318570511e+00 -2.318570511e+00 3.18 -2.262060339e+00 -2.262060339e+00 3.20 -2.206070637e+00 -2.206070637e+00 3.22 -2.150660555e+00 -2.150660555e+00 3.24 -2.095877014e+00 -2.095877014e+00 3.26 -2.042071068e+00 -2.042071068e+00 3.28 -1.989069603e+00 -1.989069603e+00 3.30 -1.936803749e+00 -1.936803749e+00 3.32 -1.885305948e+00 -1.885305948e+00 3.34 -1.834602805e+00 -1.834602805e+00 3.36 -1.784722571e+00 -1.784722571e+00 3.38 -1.735702461e+00 -1.735702461e+00 3.40 -1.687506443e+00 -1.687506443e+00 3.42 -1.640160636e+00 -1.640160636e+00 3.44 -1.593503261e+00 -1.593503261e+00 3.46 -1.547500514e+00 -1.547500514e+00 3.48 -1.502340959e+00 -1.502340959e+00 3.50 -1.458146210e+00 -1.458146210e+00 3.52 -1.414889610e+00 -1.414889610e+00 3.54 -1.372543874e+00 -1.372543874e+00 3.56 -1.331112277e+00 -1.331112277e+00 3.58 -1.290598741e+00 -1.290598741e+00 3.60 -1.250965306e+00 -1.250965306e+00 3.62 -1.212166657e+00 -1.212166657e+00 3.64 -1.174183150e+00 -1.174183150e+00 3.66 -1.137037458e+00 -1.137037458e+00 3.68 -1.100758266e+00 -1.100758266e+00 3.70 -1.065370490e+00 -1.065370490e+00 3.72 -1.030865867e+00 -1.030865867e+00 3.74 -9.972121090e-01 -9.972121090e-01 3.76 -9.643931240e-01 -9.643931240e-01 3.78 -9.323992594e-01 -9.323992594e-01 3.80 -9.012196725e-01 -9.012196725e-01 3.82 -8.708158040e-01 -8.708158040e-01 3.84 -8.411772351e-01 -8.411772351e-01 3.86 -8.123054073e-01 -8.123054073e-01 3.88 -7.842020952e-01 -7.842020952e-01 3.90 -7.568583429e-01 -7.568583429e-01 3.92 -7.301242649e-01 -7.301242649e-01 3.94 -7.039410707e-01 -7.039410707e-01 3.96 -6.784242788e-01 -6.784242788e-01 3.98 -6.536628578e-01 -6.536628578e-01 4.00 -6.297219044e-01 -6.297219044e-01 4.02 -6.066466623e-01 -6.066466623e-01 4.04 -5.844687607e-01 -5.844687607e-01 4.06 -5.633091929e-01 -5.633091929e-01 4.08 -5.431834238e-01 -5.431834238e-01 4.10 -5.237780586e-01 -5.237780586e-01 4.12 -5.048351502e-01 -5.048351502e-01 4.14 -4.861650654e-01 -4.861650654e-01 4.16 -4.676333385e-01 -4.676333385e-01 4.18 -4.491496633e-01 -4.491496633e-01 4.20 -4.306587174e-01 -4.306587174e-01 4.22 -4.121325290e-01 -4.121325290e-01 4.24 -3.935641680e-01 -3.935641680e-01 4.26 -3.749622065e-01 -3.749622065e-01 4.28 -3.562882212e-01 -3.562882212e-01 4.30 -3.383901705e-01 -3.383901705e-01 4.32 -3.209341463e-01 -3.209341463e-01 4.34 -3.036750865e-01 -3.036750865e-01 4.36 -2.867353413e-01 -2.867353413e-01 4.38 -2.702029712e-01 -2.702029712e-01 4.40 -2.541446719e-01 -2.541446719e-01 4.42 -2.386094172e-01 -2.386094172e-01 4.44 -2.236315343e-01 -2.236315343e-01 4.46 -2.092333071e-01 -2.092333071e-01 4.48 -1.954271852e-01 -1.954271852e-01 4.50 -1.822176351e-01 -1.822176351e-01 4.52 -1.696027061e-01 -1.696027061e-01 4.54 -1.575753419e-01 -1.575753419e-01 4.56 -1.461243530e-01 -1.461243530e-01 4.58 -1.352249352e-01 -1.352249352e-01 4.60 -1.251633838e-01 -1.251633838e-01 4.62 -1.158897214e-01 -1.158897214e-01 4.64 -1.070788546e-01 -1.070788546e-01 4.66 -9.872232331e-02 -9.872232331e-02 4.68 -9.080103739e-02 -9.080103739e-02 4.70 -8.329587610e-02 -8.329587610e-02 4.72 -7.618790171e-02 -7.618790171e-02 4.74 -6.945849392e-02 -6.945849392e-02 4.76 -6.308945706e-02 -6.308945706e-02 4.78 -5.706309634e-02 -5.706309634e-02 4.80 -5.136060902e-02 -5.136060902e-02 4.82 -4.601647769e-02 -4.601647769e-02 4.84 -4.098120254e-02 -4.098120254e-02 4.86 -3.621883872e-02 -3.621883872e-02 4.88 -3.171515129e-02 -3.171515129e-02 4.90 -2.745653349e-02 -2.745653349e-02 4.92 -2.342934404e-02 -2.342934404e-02 4.94 -1.954324414e-02 -1.954324414e-02 4.96 -1.699251045e-02 -1.699251045e-02 4.98 -1.567687265e-02 -1.567687265e-02 5.00 -1.436171405e-02 -1.436171405e-02 5.02 -1.311956976e-02 -1.311956976e-02 5.04 -1.194700028e-02 -1.194700028e-02 5.06 -1.084018475e-02 -1.084018475e-02 5.08 -9.795503514e-03 -9.795503514e-03 5.10 -8.809529013e-03 -8.809529013e-03 5.12 -7.879016859e-03 -7.879016859e-03 5.14 -7.000896986e-03 -7.000896986e-03 5.16 -6.172265040e-03 -6.172265040e-03 5.18 -5.390374079e-03 -5.390374079e-03 5.20 -4.652626603e-03 -4.652626603e-03 5.22 -3.956566902e-03 -3.956566902e-03 5.24 -3.299873559e-03 -3.299873559e-03 5.26 -2.680342335e-03 -2.680342335e-03 5.28 -2.096554795e-03 -2.096554795e-03 5.30 -1.560763066e-03 -1.560763066e-03 5.32 -1.372717558e-03 -1.372717558e-03 5.34 -1.206574201e-03 -1.206574201e-03 5.36 -1.053182760e-03 -1.053182760e-03 5.38 -9.093785592e-04 -9.093785592e-04 5.40 -7.745764051e-04 -7.745764051e-04 5.42 -6.482259389e-04 -6.482259389e-04 5.44 -5.298096065e-04 -5.298096065e-04 5.46 -4.188407516e-04 -4.188407516e-04 5.48 -3.148618248e-04 -3.148618248e-04 5.50 -2.174426945e-04 -2.174426945e-04 5.52 -1.261790316e-04 -1.261790316e-04 5.54 -4.014389261e-05 -4.014389261e-05 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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