# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = BrKRb2 # 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 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 nan nan 1.30 nan nan 1.32 nan nan 1.34 nan nan 1.36 nan nan 1.38 2.239612371e+06 2.239612371e+06 1.40 1.792779615e+06 1.792779615e+06 1.42 1.439808587e+06 1.439808587e+06 1.44 1.160010499e+06 1.160010499e+06 1.46 9.374668153e+05 9.374668153e+05 1.48 7.598814450e+05 7.598814450e+05 1.50 6.177214771e+05 6.177214771e+05 1.52 5.035692208e+05 5.035692208e+05 1.54 4.116319598e+05 4.116319598e+05 1.56 3.373713392e+05 3.373713392e+05 1.58 2.772192617e+05 2.772192617e+05 1.60 2.283613536e+05 2.283613536e+05 1.62 1.885711700e+05 1.885711700e+05 1.64 1.560818360e+05 1.560818360e+05 1.66 1.294866623e+05 1.294866623e+05 1.68 1.076628970e+05 1.076628970e+05 1.70 8.971190496e+04 8.971190496e+04 1.72 7.491196379e+04 7.491196379e+04 1.74 6.268228907e+04 6.268228907e+04 1.76 5.255422549e+04 5.255422549e+04 1.78 4.414872303e+04 4.414872303e+04 1.80 3.715814038e+04 3.715814038e+04 1.82 3.133241320e+04 3.133241320e+04 1.84 2.646777420e+04 2.646777420e+04 1.86 2.239780755e+04 2.239780755e+04 1.88 1.898632445e+04 1.898632445e+04 1.90 1.612145837e+04 1.612145837e+04 1.92 1.371127572e+04 1.371127572e+04 1.94 1.168005259e+04 1.168005259e+04 1.96 9.965270921e+03 9.965270921e+03 1.98 8.515222699e+03 8.515222699e+03 2.00 7.287021109e+03 7.287021109e+03 2.02 6.245059977e+03 6.245059977e+03 2.04 5.359718960e+03 5.359718960e+03 2.06 4.606308293e+03 4.606308293e+03 2.08 3.964211639e+03 3.964211639e+03 2.10 3.416197211e+03 3.416197211e+03 2.12 2.947819421e+03 2.947819421e+03 2.14 2.546928684e+03 2.546928684e+03 2.16 2.203337481e+03 2.203337481e+03 2.18 1.908453502e+03 1.908453502e+03 2.20 1.655039901e+03 1.655039901e+03 2.22 1.436984400e+03 1.436984400e+03 2.24 1.249116876e+03 1.249116876e+03 2.26 1.087063674e+03 1.087063674e+03 2.28 9.471089169e+02 9.471089169e+02 2.30 8.260881257e+02 8.260881257e+02 2.32 7.213170743e+02 7.213170743e+02 2.34 6.305129487e+02 6.305129487e+02 2.36 5.517218563e+02 5.517218563e+02 2.38 4.832771874e+02 4.832771874e+02 2.40 4.237550942e+02 4.237550942e+02 2.42 3.719355639e+02 3.719355639e+02 2.44 3.267737566e+02 3.267737566e+02 2.46 2.873743083e+02 2.873743083e+02 2.48 2.529666147e+02 2.529666147e+02 2.50 2.228853361e+02 2.228853361e+02 2.52 1.965596240e+02 1.965596240e+02 2.54 1.734975283e+02 1.734975283e+02 2.56 1.532743564e+02 1.532743564e+02 2.58 1.355245786e+02 1.355245786e+02 2.60 1.199300622e+02 1.199300622e+02 2.62 1.062149294e+02 1.062149294e+02 2.64 9.414149742e+01 9.414149742e+01 2.66 8.350332840e+01 8.350332840e+01 2.68 7.412118417e+01 7.412118417e+01 2.70 6.583922977e+01 6.583922977e+01 2.72 5.852230863e+01 5.852230863e+01 2.74 5.205434073e+01 5.205434073e+01 2.76 4.632971958e+01 4.632971958e+01 2.78 4.125844200e+01 4.125844200e+01 2.80 3.676210406e+01 3.676210406e+01 2.82 3.277222222e+01 3.277222222e+01 2.84 2.922880017e+01 2.922880017e+01 2.86 2.607903662e+01 2.607903662e+01 2.88 2.327713535e+01 2.327713535e+01 2.90 2.078301718e+01 2.078301718e+01 2.92 1.856115036e+01 1.856115036e+01 2.94 1.658029850e+01 1.658029850e+01 2.96 1.481297701e+01 1.481297701e+01 2.98 1.323495605e+01 1.323495605e+01 3.00 1.182489013e+01 1.182489013e+01 3.02 1.056401710e+01 1.056401710e+01 3.04 9.435719201e+00 9.435719201e+00 3.06 8.425301235e+00 8.425301235e+00 3.08 7.519778821e+00 7.519778821e+00 3.10 6.707887158e+00 6.707887158e+00 3.12 5.979558068e+00 5.979558068e+00 3.14 5.325383838e+00 5.325383838e+00 3.16 4.737426737e+00 4.737426737e+00 3.18 4.208583291e+00 4.208583291e+00 3.20 3.732584494e+00 3.732584494e+00 3.22 3.303922459e+00 3.303922459e+00 3.24 2.917650013e+00 2.917650013e+00 3.26 2.569370452e+00 2.569370452e+00 3.28 2.255173774e+00 2.255173774e+00 3.30 1.971580326e+00 1.971580326e+00 3.32 1.715491008e+00 1.715491008e+00 3.34 1.484143240e+00 1.484143240e+00 3.36 1.275071157e+00 1.275071157e+00 3.38 1.086094166e+00 1.086094166e+00 3.40 9.152195383e-01 9.152195383e-01 3.42 7.606843078e-01 7.606843078e-01 3.44 6.209082345e-01 6.209082345e-01 3.46 4.945469899e-01 4.945469899e-01 3.48 3.802738322e-01 3.802738322e-01 3.50 2.768962382e-01 2.768962382e-01 3.52 1.833827764e-01 1.833827764e-01 3.54 9.880045043e-02 9.880045043e-02 3.56 2.230692488e-02 2.230692488e-02 3.58 -4.686012488e-02 -4.686012488e-02 3.60 -1.093912838e-01 -1.093912838e-01 3.62 -1.659116115e-01 -1.659116115e-01 3.64 -2.169882105e-01 -2.169882105e-01 3.66 -2.631352459e-01 -2.631352459e-01 3.68 -3.049093138e-01 -3.049093138e-01 3.70 -3.425918351e-01 -3.425918351e-01 3.72 -3.765776610e-01 -3.765776610e-01 3.74 -4.072462746e-01 -4.072462746e-01 3.76 -4.350055371e-01 -4.350055371e-01 3.78 -4.602083775e-01 -4.602083775e-01 3.80 -4.828868677e-01 -4.828868677e-01 3.82 -5.032816214e-01 -5.032816214e-01 3.84 -5.216079915e-01 -5.216079915e-01 3.86 -5.380583815e-01 -5.380583815e-01 3.88 -5.528043969e-01 -5.528043969e-01 3.90 -5.659988471e-01 -5.659988471e-01 3.92 -5.777776073e-01 -5.777776073e-01 3.94 -5.882613489e-01 -5.882613489e-01 3.96 -5.975571429e-01 -5.975571429e-01 3.98 -6.057599427e-01 -6.057599427e-01 4.00 -6.129539503e-01 -6.129539503e-01 4.02 -6.192138704e-01 -6.192138704e-01 4.04 -6.246059734e-01 -6.246059734e-01 4.06 -6.291889545e-01 -6.291889545e-01 4.08 -6.330160089e-01 -6.330160089e-01 4.10 -6.361342781e-01 -6.361342781e-01 4.12 -6.385861401e-01 -6.385861401e-01 4.14 -6.404098792e-01 -6.404098792e-01 4.16 -6.416402759e-01 -6.416402759e-01 4.18 -6.423082854e-01 -6.423082854e-01 4.20 -6.424439650e-01 -6.424439650e-01 4.22 -6.421541311e-01 -6.421541311e-01 4.24 -6.413919409e-01 -6.413919409e-01 4.26 -6.401540229e-01 -6.401540229e-01 4.28 -6.384661369e-01 -6.384661369e-01 4.30 -6.363523708e-01 -6.363523708e-01 4.32 -6.338421075e-01 -6.338421075e-01 4.34 -6.309986085e-01 -6.309986085e-01 4.36 -6.277823541e-01 -6.277823541e-01 4.38 -6.242142233e-01 -6.242142233e-01 4.40 -6.203139471e-01 -6.203139471e-01 4.42 -6.161001892e-01 -6.161001892e-01 4.44 -6.115906297e-01 -6.115906297e-01 4.46 -6.068008902e-01 -6.068008902e-01 4.48 -6.017470178e-01 -6.017470178e-01 4.50 -5.965398958e-01 -5.965398958e-01 4.52 -5.911139235e-01 -5.911139235e-01 4.54 -5.854457692e-01 -5.854457692e-01 4.56 -5.795519612e-01 -5.795519612e-01 4.58 -5.734478853e-01 -5.734478853e-01 4.60 -5.671478707e-01 -5.671478707e-01 4.62 -5.606652728e-01 -5.606652728e-01 4.64 -5.540125523e-01 -5.540125523e-01 4.66 -5.472013519e-01 -5.472013519e-01 4.68 -5.402425689e-01 -5.402425689e-01 4.70 -5.331464252e-01 -5.331464252e-01 4.72 -5.259225336e-01 -5.259225336e-01 4.74 -5.185799616e-01 -5.185799616e-01 4.76 -5.111252753e-01 -5.111252753e-01 4.78 -5.035656717e-01 -5.035656717e-01 4.80 -4.959125374e-01 -4.959125374e-01 4.82 -4.881732518e-01 -4.881732518e-01 4.84 -4.803548296e-01 -4.803548296e-01 4.86 -4.724619278e-01 -4.724619278e-01 4.88 -4.645025884e-01 -4.645025884e-01 4.90 -4.564847063e-01 -4.564847063e-01 4.92 -4.484145930e-01 -4.484145930e-01 4.94 -4.402988457e-01 -4.402988457e-01 4.96 -4.321495315e-01 -4.321495315e-01 4.98 -4.239650327e-01 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