# 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 = Mo2PbTa # 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 4.139405857e+02 4.139405857e+02 1.30 3.854965487e+02 3.854965487e+02 1.32 3.590678321e+02 3.590678321e+02 1.34 3.344877791e+02 3.344877791e+02 1.36 3.116089583e+02 3.116089583e+02 1.38 2.903004046e+02 2.903004046e+02 1.40 2.704448208e+02 2.704448208e+02 1.42 2.519361466e+02 2.519361466e+02 1.44 2.346777651e+02 2.346777651e+02 1.46 2.185813037e+02 2.185813037e+02 1.48 2.035656911e+02 2.035656911e+02 1.50 1.895561479e+02 1.895561479e+02 1.52 1.764831541e+02 1.764831541e+02 1.54 1.642817091e+02 1.642817091e+02 1.56 1.528910503e+02 1.528910503e+02 1.58 1.422546405e+02 1.422546405e+02 1.60 1.323200334e+02 1.323200334e+02 1.62 1.230384699e+02 1.230384699e+02 1.64 1.143643362e+02 1.143643362e+02 1.66 1.062547674e+02 1.062547674e+02 1.68 9.866952705e+01 9.866952705e+01 1.70 9.157115448e+01 9.157115448e+01 1.72 8.492524501e+01 8.492524501e+01 1.74 7.870070902e+01 7.870070902e+01 1.76 7.286986099e+01 7.286986099e+01 1.78 6.740823877e+01 6.740823877e+01 1.80 6.229414390e+01 6.229414390e+01 1.82 5.750800764e+01 5.750800764e+01 1.84 5.303188042e+01 5.303188042e+01 1.86 4.885240236e+01 4.885240236e+01 1.88 4.495488184e+01 4.495488184e+01 1.90 4.133071350e+01 4.133071350e+01 1.92 3.796630188e+01 3.796630188e+01 1.94 3.484416467e+01 3.484416467e+01 1.96 3.194732908e+01 3.194732908e+01 1.98 2.925936909e+01 2.925936909e+01 2.00 2.676448548e+01 2.676448548e+01 2.02 2.444762901e+01 2.444762901e+01 2.04 2.229463460e+01 2.229463460e+01 2.06 2.029233143e+01 2.029233143e+01 2.08 1.842860484e+01 1.842860484e+01 2.10 1.669240937e+01 1.669240937e+01 2.12 1.507374942e+01 1.507374942e+01 2.14 1.356363996e+01 1.356363996e+01 2.16 1.215405742e+01 1.215405742e+01 2.18 1.083787586e+01 1.083787586e+01 2.20 9.608778065e+00 9.608778065e+00 2.22 8.461147237e+00 8.461147237e+00 2.24 7.389942565e+00 7.389942565e+00 2.26 6.390573654e+00 6.390573654e+00 2.28 5.458783978e+00 5.458783978e+00 2.30 4.590559353e+00 4.590559353e+00 2.32 3.782056218e+00 3.782056218e+00 2.34 3.029570194e+00 3.029570194e+00 2.36 2.329524786e+00 2.329524786e+00 2.38 1.678488205e+00 1.678488205e+00 2.40 1.073203344e+00 1.073203344e+00 2.42 5.106216398e-01 5.106216398e-01 2.44 -1.207075084e-02 -1.207075084e-02 2.46 -4.974383069e-01 -4.974383069e-01 2.48 -9.477968859e-01 -9.477968859e-01 2.50 -1.365227223e+00 -1.365227223e+00 2.52 -1.751597423e+00 -1.751597423e+00 2.54 -2.108590046e+00 -2.108590046e+00 2.56 -2.437723252e+00 -2.437723252e+00 2.58 -2.740306763e+00 -2.740306763e+00 2.60 -3.017676199e+00 -3.017676199e+00 2.62 -3.271113601e+00 -3.271113601e+00 2.64 -3.501823709e+00 -3.501823709e+00 2.66 -3.710950606e+00 -3.710950606e+00 2.68 -3.899596827e+00 -3.899596827e+00 2.70 -4.068794220e+00 -4.068794220e+00 2.72 -4.219367562e+00 -4.219367562e+00 2.74 -4.352501729e+00 -4.352501729e+00 2.76 -4.469300968e+00 -4.469300968e+00 2.78 -4.570777822e+00 -4.570777822e+00 2.80 -4.657934718e+00 -4.657934718e+00 2.82 -4.731760106e+00 -4.731760106e+00 2.84 -4.793224389e+00 -4.793224389e+00 2.86 -4.843267507e+00 -4.843267507e+00 2.88 -4.882509916e+00 -4.882509916e+00 2.90 -4.911248655e+00 -4.911248655e+00 2.92 -4.929822613e+00 -4.929822613e+00 2.94 -4.938630747e+00 -4.938630747e+00 2.96 -4.938126102e+00 -4.938126102e+00 2.98 -4.928806240e+00 -4.928806240e+00 3.00 -4.911199440e+00 -4.911199440e+00 3.02 -4.885847172e+00 -4.885847172e+00 3.04 -4.853283699e+00 -4.853283699e+00 3.06 -4.814019256e+00 -4.814019256e+00 3.08 -4.768518246e+00 -4.768518246e+00 3.10 -4.717189633e+00 -4.717189633e+00 3.12 -4.660378107e+00 -4.660378107e+00 3.14 -4.598365587e+00 -4.598365587e+00 3.16 -4.531370098e+00 -4.531370098e+00 3.18 -4.459556781e+00 -4.459556781e+00 3.20 -4.383047515e+00 -4.383047515e+00 3.22 -4.301933504e+00 -4.301933504e+00 3.24 -4.216289514e+00 -4.216289514e+00 3.26 -4.126189568e+00 -4.126189568e+00 3.28 -4.031723834e+00 -4.031723834e+00 3.30 -3.933016045e+00 -3.933016045e+00 3.32 -3.830319794e+00 -3.830319794e+00 3.34 -3.723773845e+00 -3.723773845e+00 3.36 -3.613448527e+00 -3.613448527e+00 3.38 -3.499573753e+00 -3.499573753e+00 3.40 -3.382480868e+00 -3.382480868e+00 3.42 -3.262556691e+00 -3.262556691e+00 3.44 -3.140350593e+00 -3.140350593e+00 3.46 -3.016554368e+00 -3.016554368e+00 3.48 -2.891955219e+00 -2.891955219e+00 3.50 -2.767383686e+00 -2.767383686e+00 3.52 -2.643661920e+00 -2.643661920e+00 3.54 -2.521557509e+00 -2.521557509e+00 3.56 -2.401747009e+00 -2.401747009e+00 3.58 -2.284791760e+00 -2.284791760e+00 3.60 -2.171126744e+00 -2.171126744e+00 3.62 -2.061061660e+00 -2.061061660e+00 3.64 -1.954792050e+00 -1.954792050e+00 3.66 -1.852417588e+00 -1.852417588e+00 3.68 -1.753964348e+00 -1.753964348e+00 3.70 -1.659408041e+00 -1.659408041e+00 3.72 -1.568695693e+00 -1.568695693e+00 3.74 -1.481763874e+00 -1.481763874e+00 3.76 -1.398552313e+00 -1.398552313e+00 3.78 -1.319012442e+00 -1.319012442e+00 3.80 -1.243110989e+00 -1.243110989e+00 3.82 -1.170829246e+00 -1.170829246e+00 3.84 -1.102158968e+00 -1.102158968e+00 3.86 -1.037096027e+00 -1.037096027e+00 3.88 -9.756330286e-01 -9.756330286e-01 3.90 -9.177519754e-01 -9.177519754e-01 3.92 -8.634174134e-01 -8.634174134e-01 3.94 -8.125738916e-01 -8.125738916e-01 3.96 -7.651399232e-01 -7.651399232e-01 3.98 -7.210098198e-01 -7.210098198e-01 4.00 -6.800544660e-01 -6.800544660e-01 4.02 -6.421242891e-01 -6.421242891e-01 4.04 -6.070533110e-01 -6.070533110e-01 4.06 -5.746638106e-01 -5.746638106e-01 4.08 -5.447710711e-01 -5.447710711e-01 4.10 -5.171859341e-01 -5.171859341e-01 4.12 -4.917265318e-01 -4.917265318e-01 4.14 -4.682114299e-01 -4.682114299e-01 4.16 -4.464683856e-01 -4.464683856e-01 4.18 -4.263347416e-01 -4.263347416e-01 4.20 -4.076587839e-01 -4.076587839e-01 4.22 -3.903004829e-01 -3.903004829e-01 4.24 -3.741317374e-01 -3.741317374e-01 4.26 -3.590362324e-01 -3.590362324e-01 4.28 -3.449090149e-01 -3.449090149e-01 4.30 -3.316558736e-01 -3.316558736e-01 4.32 -3.191925948e-01 -3.191925948e-01 4.34 -3.074441535e-01 -3.074441535e-01 4.36 -2.963438813e-01 -2.963438813e-01 4.38 -2.858326451e-01 -2.858326451e-01 4.40 -2.758580572e-01 -2.758580572e-01 4.42 -2.663737336e-01 -2.663737336e-01 4.44 -2.573386061e-01 -2.573386061e-01 4.46 -2.487162955e-01 -2.487162955e-01 4.48 -2.404745438e-01 -2.404745438e-01 4.50 -2.325847063e-01 -2.325847063e-01 4.52 -2.250212985e-01 -2.250212985e-01 4.54 -2.177615957e-01 -2.177615957e-01 4.56 -2.107852800e-01 -2.107852800e-01 4.58 -2.040741302e-01 -2.040741302e-01 4.60 -1.976117508e-01 -1.976117508e-01 4.62 -1.913833348e-01 -1.913833348e-01 4.64 -1.853754579e-01 -1.853754579e-01 4.66 -1.795758984e-01 -1.795758984e-01 4.68 -1.739734816e-01 -1.739734816e-01 4.70 -1.685579446e-01 -1.685579446e-01 4.72 -1.633198187e-01 -1.633198187e-01 4.74 -1.582503284e-01 -1.582503284e-01 4.76 -1.533413042e-01 -1.533413042e-01 4.78 -1.485851071e-01 -1.485851071e-01 4.80 -1.439737695e-01 -1.439737695e-01 4.82 -1.395022506e-01 -1.395022506e-01 4.84 -1.351632146e-01 -1.351632146e-01 4.86 -1.309506045e-01 -1.309506045e-01 4.88 -1.268586647e-01 -1.268586647e-01 4.90 -1.228819201e-01 -1.228819201e-01 4.92 -1.190151624e-01 -1.190151624e-01 4.94 -1.152534438e-01 -1.152534438e-01 4.96 -1.115920780e-01 -1.115920780e-01 4.98 -1.080266474e-01 -1.080266474e-01 5.00 -1.045530177e-01 -1.045530177e-01 5.02 -1.011673583e-01 -1.011673583e-01 5.04 -9.786616764e-02 -9.786616764e-02 5.06 -9.464630272e-02 -9.464630272e-02 5.08 -9.150501081e-02 -9.150501081e-02 5.10 -8.843995917e-02 -8.843995917e-02 5.12 -8.544926123e-02 -8.544926123e-02 5.14 -8.253149497e-02 -8.253149497e-02 5.16 -7.968570951e-02 -7.968570951e-02 5.18 -7.691141595e-02 -7.691141595e-02 5.20 -7.420855884e-02 -7.420855884e-02 5.22 -7.157746629e-02 -7.157746629e-02 5.24 -6.901877784e-02 -6.901877784e-02 5.26 -6.653333674e-02 -6.653333674e-02 5.28 -6.412202198e-02 -6.412202198e-02 5.30 -6.178581206e-02 -6.178581206e-02 5.32 -5.952556798e-02 -5.952556798e-02 5.34 -5.734189243e-02 -5.734189243e-02 5.36 -5.523502647e-02 -5.523502647e-02 5.38 -5.320476921e-02 -5.320476921e-02 5.40 -5.125042347e-02 -5.125042347e-02 5.42 -4.937077129e-02 -4.937077129e-02 5.44 -4.756407868e-02 -4.756407868e-02 5.46 -4.582812644e-02 -4.582812644e-02 5.48 -4.416026203e-02 -4.416026203e-02 5.50 -4.255746649e-02 -4.255746649e-02 5.52 -4.101643009e-02 -4.101643009e-02 5.54 -3.953363081e-02 -3.953363081e-02 5.56 -3.810541080e-02 -3.810541080e-02 5.58 -3.672804716e-02 -3.672804716e-02 5.60 -3.539781489e-02 -3.539781489e-02 5.62 -3.411104075e-02 -3.411104075e-02 5.64 -3.286414690e-02 -3.286414690e-02 5.66 -3.165368783e-02 -3.165368783e-02 5.68 -3.047637940e-02 -3.047637940e-02 5.70 -2.932912204e-02 -2.932912204e-02 5.72 -2.820901982e-02 -2.820901982e-02 5.74 -2.711339673e-02 -2.711339673e-02 5.76 -2.603981158e-02 -2.603981158e-02 5.78 -2.498607253e-02 -2.498607253e-02 5.80 -2.395025185e-02 -2.395025185e-02 5.82 -2.293070139e-02 -2.293070139e-02 5.84 -2.192606849e-02 -2.192606849e-02 5.86 -2.093531210e-02 -2.093531210e-02 5.88 -1.995771800e-02 -1.995771800e-02 5.90 -1.899291210e-02 -1.899291210e-02 5.92 -1.804087005e-02 -1.804087005e-02 5.94 -1.710190528e-02 -1.710190528e-02 5.96 -1.617660747e-02 -1.617660747e-02 5.98 -1.526600465e-02 -1.526600465e-02 6.00 -1.437145911e-02 -1.437145911e-02