# 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 = Ag2CuMo # 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 2.306988759e+02 2.306988759e+02 1.30 2.132949080e+02 2.132949080e+02 1.32 1.972209999e+02 1.972209999e+02 1.34 1.823650064e+02 1.823650064e+02 1.36 1.686231667e+02 1.686231667e+02 1.38 1.559012537e+02 1.559012537e+02 1.40 1.441149788e+02 1.441149788e+02 1.42 1.331893461e+02 1.331893461e+02 1.44 1.230571931e+02 1.230571931e+02 1.46 1.136575607e+02 1.136575607e+02 1.48 1.049346062e+02 1.049346062e+02 1.50 9.683726615e+01 9.683726615e+01 1.52 8.931922595e+01 8.931922595e+01 1.54 8.233863462e+01 8.233863462e+01 1.56 7.585747420e+01 7.585747420e+01 1.58 6.984089077e+01 6.984089077e+01 1.60 6.425671920e+01 6.425671920e+01 1.62 5.907514663e+01 5.907514663e+01 1.64 5.426886557e+01 5.426886557e+01 1.66 4.981390500e+01 4.981390500e+01 1.68 4.568544769e+01 4.568544769e+01 1.70 4.186181864e+01 4.186181864e+01 1.72 3.832105900e+01 3.832105900e+01 1.74 3.504158523e+01 3.504158523e+01 1.76 3.200331043e+01 3.200331043e+01 1.78 2.918772873e+01 2.918772873e+01 1.80 2.657796755e+01 2.657796755e+01 1.82 2.415879107e+01 2.415879107e+01 1.84 2.191652495e+01 2.191652495e+01 1.86 1.983889184e+01 1.983889184e+01 1.88 1.791478147e+01 1.791478147e+01 1.90 1.613399974e+01 1.613399974e+01 1.92 1.448704213e+01 1.448704213e+01 1.94 1.296492745e+01 1.296492745e+01 1.96 1.155910908e+01 1.155910908e+01 1.98 1.026145407e+01 1.026145407e+01 2.00 9.064259345e+00 9.064259345e+00 2.02 7.960269956e+00 7.960269956e+00 2.04 6.942675371e+00 6.942675371e+00 2.06 6.005077859e+00 6.005077859e+00 2.08 5.141445798e+00 5.141445798e+00 2.10 4.346075626e+00 4.346075626e+00 2.12 3.613581677e+00 3.613581677e+00 2.14 2.938916483e+00 2.938916483e+00 2.16 2.317407719e+00 2.317407719e+00 2.18 1.744791501e+00 1.744791501e+00 2.20 1.217226116e+00 1.217226116e+00 2.22 7.312800432e-01 7.312800432e-01 2.24 2.838970608e-01 2.838970608e-01 2.26 -1.276538526e-01 -1.276538526e-01 2.28 -5.058347902e-01 -5.058347902e-01 2.30 -8.528924534e-01 -8.528924534e-01 2.32 -1.170890188e+00 -1.170890188e+00 2.34 -1.461614055e+00 -1.461614055e+00 2.36 -1.726958482e+00 -1.726958482e+00 2.38 -1.968735461e+00 -1.968735461e+00 2.40 -2.188593656e+00 -2.188593656e+00 2.42 -2.388039330e+00 -2.388039330e+00 2.44 -2.568459484e+00 -2.568459484e+00 2.46 -2.731144670e+00 -2.731144670e+00 2.48 -2.877298272e+00 -2.877298272e+00 2.50 -3.007914955e+00 -3.007914955e+00 2.52 -3.123860917e+00 -3.123860917e+00 2.54 -3.226003334e+00 -3.226003334e+00 2.56 -3.315209925e+00 -3.315209925e+00 2.58 -3.392346029e+00 -3.392346029e+00 2.60 -3.458270546e+00 -3.458270546e+00 2.62 -3.513828093e+00 -3.513828093e+00 2.64 -3.559863854e+00 -3.559863854e+00 2.66 -3.597401815e+00 -3.597401815e+00 2.68 -3.626950476e+00 -3.626950476e+00 2.70 -3.648867508e+00 -3.648867508e+00 2.72 -3.663492144e+00 -3.663492144e+00 2.74 -3.671140837e+00 -3.671140837e+00 2.76 -3.672106643e+00 -3.672106643e+00 2.78 -3.666662299e+00 -3.666662299e+00 2.80 -3.655093818e+00 -3.655093818e+00 2.82 -3.637700962e+00 -3.637700962e+00 2.84 -3.614773768e+00 -3.614773768e+00 2.86 -3.586674406e+00 -3.586674406e+00 2.88 -3.553835505e+00 -3.553835505e+00 2.90 -3.516416389e+00 -3.516416389e+00 2.92 -3.474623545e+00 -3.474623545e+00 2.94 -3.428729616e+00 -3.428729616e+00 2.96 -3.379065980e+00 -3.379065980e+00 2.98 -3.326010994e+00 -3.326010994e+00 3.00 -3.269974641e+00 -3.269974641e+00 3.02 -3.211381481e+00 -3.211381481e+00 3.04 -3.150662984e+00 -3.150662984e+00 3.06 -3.088236143e+00 -3.088236143e+00 3.08 -3.024475804e+00 -3.024475804e+00 3.10 -2.959701758e+00 -2.959701758e+00 3.12 -2.894170609e+00 -2.894170609e+00 3.14 -2.828072806e+00 -2.828072806e+00 3.16 -2.761535016e+00 -2.761535016e+00 3.18 -2.694627360e+00 -2.694627360e+00 3.20 -2.627374415e+00 -2.627374415e+00 3.22 -2.559768612e+00 -2.559768612e+00 3.24 -2.491784639e+00 -2.491784639e+00 3.26 -2.423393707e+00 -2.423393707e+00 3.28 -2.354576814e+00 -2.354576814e+00 3.30 -2.285336415e+00 -2.285336415e+00 3.32 -2.215706017e+00 -2.215706017e+00 3.34 -2.145757294e+00 -2.145757294e+00 3.36 -2.075604305e+00 -2.075604305e+00 3.38 -2.005404469e+00 -2.005404469e+00 3.40 -1.935356077e+00 -1.935356077e+00 3.42 -1.865692357e+00 -1.865692357e+00 3.44 -1.796672424e+00 -1.796672424e+00 3.46 -1.728569814e+00 -1.728569814e+00 3.48 -1.661659580e+00 -1.661659580e+00 3.50 -1.596205144e+00 -1.596205144e+00 3.52 -1.532446144e+00 -1.532446144e+00 3.54 -1.470588339e+00 -1.470588339e+00 3.56 -1.410796366e+00 -1.410796366e+00 3.58 -1.353189759e+00 -1.353189759e+00 3.60 -1.297842224e+00 -1.297842224e+00 3.62 -1.244783845e+00 -1.244783845e+00 3.64 -1.194005630e+00 -1.194005630e+00 3.66 -1.145465717e+00 -1.145465717e+00 3.68 -1.099096510e+00 -1.099096510e+00 3.70 -1.054812096e+00 -1.054812096e+00 3.72 -1.012515398e+00 -1.012515398e+00 3.74 -9.721046054e-01 -9.721046054e-01 3.76 -9.334785665e-01 -9.334785665e-01 3.78 -8.965408917e-01 -8.965408917e-01 3.80 -8.612026393e-01 -8.612026393e-01 3.82 -8.273835499e-01 -8.273835499e-01 3.84 -7.950119290e-01 -7.950119290e-01 3.86 -7.640234077e-01 -7.640234077e-01 3.88 -7.343589358e-01 -7.343589358e-01 3.90 -7.059624315e-01 -7.059624315e-01 3.92 -6.787785202e-01 -6.787785202e-01 3.94 -6.527507223e-01 -6.527507223e-01 3.96 -6.278203022e-01 -6.278203022e-01 3.98 -6.039258613e-01 -6.039258613e-01 4.00 -5.810035922e-01 -5.810035922e-01 4.02 -5.589880346e-01 -5.589880346e-01 4.04 -5.378131355e-01 -5.378131355e-01 4.06 -5.174134317e-01 -5.174134317e-01 4.08 -4.977252167e-01 -4.977252167e-01 4.10 -4.786876100e-01 -4.786876100e-01 4.12 -4.602435100e-01 -4.602435100e-01 4.14 -4.423404000e-01 -4.423404000e-01 4.16 -4.249310753e-01 -4.249310753e-01 4.18 -4.079742746e-01 -4.079742746e-01 4.20 -3.914352426e-01 -3.914352426e-01 4.22 -3.752862091e-01 -3.752862091e-01 4.24 -3.595067579e-01 -3.595067579e-01 4.26 -3.440840352e-01 -3.440840352e-01 4.28 -3.290127432e-01 -3.290127432e-01 4.30 -3.142948613e-01 -3.142948613e-01 4.32 -2.999390548e-01 -2.999390548e-01 4.34 -2.859597526e-01 -2.859597526e-01 4.36 -2.723759103e-01 -2.723759103e-01 4.38 -2.592095055e-01 -2.592095055e-01 4.40 -2.464838458e-01 -2.464838458e-01 4.42 -2.342217906e-01 -2.342217906e-01 4.44 -2.224440011e-01 -2.224440011e-01 4.46 -2.111673377e-01 -2.111673377e-01 4.48 -2.004035131e-01 -2.004035131e-01 4.50 -1.901580924e-01 -1.901580924e-01 4.52 -1.804299047e-01 -1.804299047e-01 4.54 -1.712108899e-01 -1.712108899e-01 4.56 -1.624863684e-01 -1.624863684e-01 4.58 -1.542356779e-01 -1.542356779e-01 4.60 -1.464330953e-01 -1.464330953e-01 4.62 -1.390489507e-01 -1.390489507e-01 4.64 -1.320508241e-01 -1.320508241e-01 4.66 -1.254043781e-01 -1.254043781e-01 4.68 -1.190750391e-01 -1.190750391e-01 4.70 -1.130294177e-01 -1.130294177e-01 4.72 -1.072353196e-01 -1.072353196e-01 4.74 -1.016625598e-01 -1.016625598e-01 4.76 -9.628361879e-02 -9.628361879e-02 4.78 -9.107415515e-02 -9.107415515e-02 4.80 -8.601339984e-02 -8.601339984e-02 4.82 -8.108445474e-02 -8.108445474e-02 4.84 -7.627448654e-02 -7.627448654e-02 4.86 -7.157483948e-02 -7.157483948e-02 4.88 -6.698103777e-02 -6.698103777e-02 4.90 -6.249267036e-02 -6.249267036e-02 4.92 -5.811313980e-02 -5.811313980e-02 4.94 -5.384926221e-02 -5.384926221e-02 4.96 -4.971071461e-02 -4.971071461e-02 4.98 -4.570933971e-02 -4.570933971e-02 5.00 -4.185833404e-02 -4.185833404e-02 5.02 -3.817136717e-02 -3.817136717e-02 5.04 -3.466168245e-02 -3.466168245e-02 5.06 -3.134124436e-02 -3.134124436e-02 5.08 -2.821999846e-02 -2.821999846e-02 5.10 -2.530529030e-02 -2.530529030e-02 5.12 -2.260148318e-02 -2.260148318e-02 5.14 -2.010979512e-02 -2.010979512e-02 5.16 -1.782833404e-02 -1.782833404e-02 5.18 -1.575231033e-02 -1.575231033e-02 5.20 -1.387424191e-02 -1.387424191e-02 5.22 -1.218446432e-02 -1.218446432e-02 5.24 -1.067216641e-02 -1.067216641e-02 5.26 -9.325332026e-03 -9.325332026e-03 5.28 -8.131211898e-03 -8.131211898e-03 5.30 -7.076765227e-03 -7.076765227e-03 5.32 -6.149029183e-03 -6.149029183e-03 5.34 -5.335412029e-03 -5.335412029e-03 5.36 -4.623912258e-03 -4.623912258e-03 5.38 -4.003270544e-03 -4.003270544e-03 5.40 -3.463063810e-03 -3.463063810e-03 5.42 -2.993751721e-03 -2.993751721e-03 5.44 -2.586685779e-03 -2.586685779e-03 5.46 -2.234090364e-03 -2.234090364e-03 5.48 -1.929023847e-03 -1.929023847e-03 5.50 -1.665326541e-03 -1.665326541e-03 5.52 -1.437560897e-03 -1.437560897e-03 5.54 -1.240948106e-03 -1.240948106e-03 5.56 -1.071304198e-03 -1.071304198e-03 5.58 -9.249778304e-04 -9.249778304e-04 5.60 -7.987912266e-04 -7.987912266e-04 5.62 -6.899851806e-04 -6.899851806e-04 5.64 -5.961686096e-04 -5.961686096e-04 5.66 -5.152728291e-04 -5.152728291e-04 5.68 -4.455105106e-04 -4.455105106e-04 5.70 -3.853391334e-04 -3.853391334e-04 5.72 -3.334286519e-04 -3.334286519e-04 5.74 -2.886330473e-04 -2.886330473e-04 5.76 -2.499654105e-04 -2.499654105e-04 5.78 -2.165762006e-04 -2.165762006e-04 5.80 -1.877343344e-04 -1.877343344e-04 5.82 -1.628107815e-04 -1.628107815e-04 5.84 -1.412643644e-04 -1.412643644e-04 5.86 -1.226294900e-04 -1.226294900e-04 5.88 -1.065055650e-04 -1.065055650e-04 5.90 -9.254787668e-05 -9.254787668e-05 5.92 -8.045974235e-05 -8.045974235e-05 5.94 -6.998575793e-05 -6.998575793e-05 5.96 -6.090599436e-05 -6.090599436e-05 5.98 -5.303101171e-05 -5.303101171e-05 6.00 -4.619757687e-05 -4.619757687e-05