# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Do-E-C-Shin-Y-H-Lee-B-J--Ga-In-N # implementation = 2009--Do-E-C--Ga-In-N--LAMMPS--ipr1 # composition = GaIn2N # 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 1.563653656e+03 1.563653656e+03 0.86 1.435846626e+03 1.435846626e+03 0.88 1.318351340e+03 1.318351340e+03 0.90 1.210336201e+03 1.210336201e+03 0.92 1.111037888e+03 1.111037888e+03 0.94 1.019755565e+03 1.019755565e+03 0.96 9.358455809e+02 9.358455809e+02 0.98 8.587166183e+02 8.587166183e+02 1.00 7.878252681e+02 7.878252681e+02 1.02 7.226719964e+02 7.226719964e+02 1.04 6.627974721e+02 6.627974721e+02 1.06 6.077792222e+02 6.077792222e+02 1.08 5.572285843e+02 5.572285843e+02 1.10 5.107879316e+02 5.107879316e+02 1.12 4.681281383e+02 4.681281383e+02 1.14 4.289462704e+02 4.289462704e+02 1.16 3.929634699e+02 3.929634699e+02 1.18 3.599230244e+02 3.599230244e+02 1.20 3.295885956e+02 3.295885956e+02 1.22 3.017425977e+02 3.017425977e+02 1.24 2.761847087e+02 2.761847087e+02 1.26 2.527305037e+02 2.527305037e+02 1.28 2.312101992e+02 2.312101992e+02 1.30 2.114674983e+02 2.114674983e+02 1.32 1.933585285e+02 1.933585285e+02 1.34 1.767508639e+02 1.767508639e+02 1.36 1.615226248e+02 1.615226248e+02 1.38 1.475616482e+02 1.475616482e+02 1.40 1.347647239e+02 1.347647239e+02 1.42 1.230368901e+02 1.230368901e+02 1.44 1.122907841e+02 1.122907841e+02 1.46 1.024460442e+02 1.024460442e+02 1.48 9.342875773e+01 9.342875773e+01 1.50 8.517095238e+01 8.517095238e+01 1.52 7.761012704e+01 7.761012704e+01 1.54 7.068881956e+01 7.068881956e+01 1.56 6.435420762e+01 6.435420762e+01 1.58 5.855774138e+01 5.855774138e+01 1.60 5.325480419e+01 5.325480419e+01 1.62 4.840440027e+01 4.840440027e+01 1.64 4.396886645e+01 4.396886645e+01 1.66 3.991360672e+01 3.991360672e+01 1.68 3.620684738e+01 3.620684738e+01 1.70 3.281941144e+01 3.281941144e+01 1.72 2.972451081e+01 2.972451081e+01 1.74 2.689755467e+01 2.689755467e+01 1.76 2.431597305e+01 2.431597305e+01 1.78 2.195905421e+01 2.195905421e+01 1.80 1.980779498e+01 1.980779498e+01 1.82 1.784476270e+01 1.784476270e+01 1.84 1.605396841e+01 1.605396841e+01 1.86 1.442074975e+01 1.442074975e+01 1.88 1.293166341e+01 1.293166341e+01 1.90 1.157438600e+01 1.157438600e+01 1.92 1.033762283e+01 1.033762283e+01 1.94 9.211024016e+00 9.211024016e+00 1.96 8.185107217e+00 8.185107217e+00 1.98 7.251186619e+00 7.251186619e+00 2.00 6.401307539e+00 6.401307539e+00 2.02 5.628186367e+00 5.628186367e+00 2.04 4.925155241e+00 4.925155241e+00 2.06 4.286111267e+00 4.286111267e+00 2.08 3.705469764e+00 3.705469764e+00 2.10 3.178121344e+00 3.178121344e+00 2.12 2.699392426e+00 2.699392426e+00 2.14 2.265008982e+00 2.265008982e+00 2.16 1.871063214e+00 1.871063214e+00 2.18 1.513982947e+00 1.513982947e+00 2.20 1.190503528e+00 1.190503528e+00 2.22 8.976420007e-01 8.976420007e-01 2.24 6.326734247e-01 6.326734247e-01 2.26 3.931091059e-01 3.931091059e-01 2.28 1.766766453e-01 1.766766453e-01 2.30 -1.869839243e-02 -1.869839243e-02 2.32 -1.949092794e-01 -1.949092794e-01 2.34 -3.536835469e-01 -3.536835469e-01 2.36 -4.965971240e-01 -4.965971240e-01 2.38 -6.250873020e-01 -6.250873020e-01 2.40 -7.404646240e-01 -7.404646240e-01 2.42 -8.439237749e-01 -8.439237749e-01 2.44 -9.365535711e-01 -9.365535711e-01 2.46 -1.019346102e+00 -1.019346102e+00 2.48 -1.093205114e+00 -1.093205114e+00 2.50 -1.158953681e+00 -1.158953681e+00 2.52 -1.217341233e+00 -1.217341233e+00 2.54 -1.269049988e+00 -1.269049988e+00 2.56 -1.314700837e+00 -1.314700837e+00 2.58 -1.354858733e+00 -1.354858733e+00 2.60 -1.390037617e+00 -1.390037617e+00 2.62 -1.420704927e+00 -1.420704927e+00 2.64 -1.447285715e+00 -1.447285715e+00 2.66 -1.470166418e+00 -1.470166418e+00 2.68 -1.489698298e+00 -1.489698298e+00 2.70 -1.506200591e+00 -1.506200591e+00 2.72 -1.519963377e+00 -1.519963377e+00 2.74 -1.531250204e+00 -1.531250204e+00 2.76 -1.540300485e+00 -1.540300485e+00 2.78 -1.547331687e+00 -1.547331687e+00 2.80 -1.552541319e+00 -1.552541319e+00 2.82 -1.556108757e+00 -1.556108757e+00 2.84 -1.558196902e+00 -1.558196902e+00 2.86 -1.558953691e+00 -1.558953691e+00 2.88 -1.558513478e+00 -1.558513478e+00 2.90 -1.556998286e+00 -1.556998286e+00 2.92 -1.554518955e+00 -1.554518955e+00 2.94 -1.551176177e+00 -1.551176177e+00 2.96 -1.547061448e+00 -1.547061448e+00 2.98 -1.542257924e+00 -1.542257924e+00 3.00 -1.536841209e+00 -1.536841209e+00 3.02 -1.530880063e+00 -1.530880063e+00 3.04 -1.524437047e+00 -1.524437047e+00 3.06 -1.517569111e+00 -1.517569111e+00 3.08 -1.510328123e+00 -1.510328123e+00 3.10 -1.502761353e+00 -1.502761353e+00 3.12 -1.494911904e+00 -1.494911904e+00 3.14 -1.486819111e+00 -1.486819111e+00 3.16 -1.478518890e+00 -1.478518890e+00 3.18 -1.470044063e+00 -1.470044063e+00 3.20 -1.461424646e+00 -1.461424646e+00 3.22 -1.452688102e+00 -1.452688102e+00 3.24 -1.443859578e+00 -1.443859578e+00 3.26 -1.434962109e+00 -1.434962109e+00 3.28 -1.426016798e+00 -1.426016798e+00 3.30 -1.417042982e+00 -1.417042982e+00 3.32 -1.408058369e+00 -1.408058369e+00 3.34 -1.399079163e+00 -1.399079163e+00 3.36 -1.390120170e+00 -1.390120170e+00 3.38 -1.381194759e+00 -1.381194759e+00 3.40 -1.371511502e+00 -1.371511502e+00 3.42 -1.353417400e+00 -1.353417400e+00 3.44 -1.311481792e+00 -1.311481792e+00 3.46 -1.253810114e+00 -1.253810114e+00 3.48 -1.243087726e+00 -1.243087726e+00 3.50 -1.235701589e+00 -1.235701589e+00 3.52 -1.228464373e+00 -1.228464373e+00 3.54 -1.221362994e+00 -1.221362994e+00 3.56 -1.214382786e+00 -1.214382786e+00 3.58 -1.207507476e+00 -1.207507476e+00 3.60 -1.200719180e+00 -1.200719180e+00 3.62 -1.193998436e+00 -1.193998436e+00 3.64 -1.187324278e+00 -1.187324278e+00 3.66 -1.180674366e+00 -1.180674366e+00 3.68 -1.174025183e+00 -1.174025183e+00 3.70 -1.167352308e+00 -1.167352308e+00 3.72 -1.160630776e+00 -1.160630776e+00 3.74 -1.153835525e+00 -1.153835525e+00 3.76 -1.146941925e+00 -1.146941925e+00 3.78 -1.139926388e+00 -1.139926388e+00 3.80 -1.132767014e+00 -1.132767014e+00 3.82 -1.125444269e+00 -1.125444269e+00 3.84 -1.117941623e+00 -1.117941623e+00 3.86 -1.110246122e+00 -1.110246122e+00 3.88 -1.102348834e+00 -1.102348834e+00 3.90 -1.094245122e+00 -1.094245122e+00 3.92 -1.084553653e+00 -1.084553653e+00 3.94 -1.054265272e+00 -1.054265272e+00 3.96 -9.393278745e-01 -9.393278745e-01 3.98 -5.890839995e-01 -5.890839995e-01 4.00 -2.760810207e-22 -2.762141061e-22 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 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