# 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 = CuMo2Zr # 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 2.666912266e+02 2.666912266e+02 1.30 2.468313332e+02 2.468313332e+02 1.32 2.284816571e+02 2.284816571e+02 1.34 2.115117678e+02 2.115117678e+02 1.36 1.957985633e+02 1.957985633e+02 1.38 1.812287491e+02 1.812287491e+02 1.40 1.677012763e+02 1.677012763e+02 1.42 1.551280326e+02 1.551280326e+02 1.44 1.434326694e+02 1.434326694e+02 1.46 1.325485714e+02 1.325485714e+02 1.48 1.224169352e+02 1.224169352e+02 1.50 1.129852778e+02 1.129852778e+02 1.52 1.042064245e+02 1.042064245e+02 1.54 9.603776958e+01 9.603776958e+01 1.56 8.844070354e+01 8.844070354e+01 1.58 8.138007389e+01 8.138007389e+01 1.60 7.482354520e+01 7.482354520e+01 1.62 6.874079991e+01 6.874079991e+01 1.64 6.310273744e+01 6.310273744e+01 1.66 5.788086141e+01 5.788086141e+01 1.68 5.304699815e+01 5.304699815e+01 1.70 4.857338395e+01 4.857338395e+01 1.72 4.443285385e+01 4.443285385e+01 1.74 4.059905727e+01 4.059905727e+01 1.76 3.704666687e+01 3.704666687e+01 1.78 3.375166547e+01 3.375166547e+01 1.80 3.069168954e+01 3.069168954e+01 1.82 2.784639853e+01 2.784639853e+01 1.84 2.519785315e+01 2.519785315e+01 1.86 2.273115593e+01 2.273115593e+01 1.88 2.043643399e+01 2.043643399e+01 1.90 1.830327359e+01 1.830327359e+01 1.92 1.632153259e+01 1.632153259e+01 1.94 1.448226300e+01 1.448226300e+01 1.96 1.277721454e+01 1.277721454e+01 1.98 1.119854388e+01 1.119854388e+01 2.00 9.738658465e+00 9.738658465e+00 2.02 8.390128109e+00 8.390128109e+00 2.04 7.145630773e+00 7.145630773e+00 2.06 5.997921820e+00 5.997921820e+00 2.08 4.939831336e+00 4.939831336e+00 2.10 3.964321352e+00 3.964321352e+00 2.12 3.064594837e+00 3.064594837e+00 2.14 2.234240200e+00 2.234240200e+00 2.16 1.467380527e+00 1.467380527e+00 2.18 7.587649813e-01 7.587649813e-01 2.20 1.037896684e-01 1.037896684e-01 2.22 -5.015653652e-01 -5.015653652e-01 2.24 -1.060832815e+00 -1.060832815e+00 2.26 -1.577157966e+00 -1.577157966e+00 2.28 -2.053394791e+00 -2.053394791e+00 2.30 -2.492149974e+00 -2.492149974e+00 2.32 -2.895852546e+00 -2.895852546e+00 2.34 -3.266757370e+00 -3.266757370e+00 2.36 -3.606974195e+00 -3.606974195e+00 2.38 -3.918470883e+00 -3.918470883e+00 2.40 -4.203082120e+00 -4.203082120e+00 2.42 -4.462527469e+00 -4.462527469e+00 2.44 -4.698424879e+00 -4.698424879e+00 2.46 -4.912307131e+00 -4.912307131e+00 2.48 -5.105623428e+00 -5.105623428e+00 2.50 -5.279731285e+00 -5.279731285e+00 2.52 -5.435882789e+00 -5.435882789e+00 2.54 -5.575211698e+00 -5.575211698e+00 2.56 -5.698726655e+00 -5.698726655e+00 2.58 -5.807314081e+00 -5.807314081e+00 2.60 -5.901752189e+00 -5.901752189e+00 2.62 -5.982732122e+00 -5.982732122e+00 2.64 -6.050908433e+00 -6.050908433e+00 2.66 -6.106938038e+00 -6.106938038e+00 2.68 -6.151374025e+00 -6.151374025e+00 2.70 -6.184661883e+00 -6.184661883e+00 2.72 -6.207243350e+00 -6.207243350e+00 2.74 -6.219930455e+00 -6.219930455e+00 2.76 -6.223524001e+00 -6.223524001e+00 2.78 -6.218788618e+00 -6.218788618e+00 2.80 -6.206452308e+00 -6.206452308e+00 2.82 -6.187149331e+00 -6.187149331e+00 2.84 -6.161380302e+00 -6.161380302e+00 2.86 -6.129598197e+00 -6.129598197e+00 2.88 -6.091898070e+00 -6.091898070e+00 2.90 -6.048212159e+00 -6.048212159e+00 2.92 -5.998570437e+00 -5.998570437e+00 2.94 -5.943102493e+00 -5.943102493e+00 2.96 -5.882029944e+00 -5.882029944e+00 2.98 -5.815681195e+00 -5.815681195e+00 3.00 -5.744600429e+00 -5.744600429e+00 3.02 -5.669053926e+00 -5.669053926e+00 3.04 -5.589271463e+00 -5.589271463e+00 3.06 -5.505500886e+00 -5.505500886e+00 3.08 -5.417971735e+00 -5.417971735e+00 3.10 -5.326886084e+00 -5.326886084e+00 3.12 -5.232403000e+00 -5.232403000e+00 3.14 -5.134648205e+00 -5.134648205e+00 3.16 -5.033712413e+00 -5.033712413e+00 3.18 -4.929683472e+00 -4.929683472e+00 3.20 -4.822630269e+00 -4.822630269e+00 3.22 -4.712615730e+00 -4.712615730e+00 3.24 -4.599714563e+00 -4.599714563e+00 3.26 -4.484031488e+00 -4.484031488e+00 3.28 -4.365718209e+00 -4.365718209e+00 3.30 -4.244987158e+00 -4.244987158e+00 3.32 -4.122120349e+00 -4.122120349e+00 3.34 -3.997472582e+00 -3.997472582e+00 3.36 -3.871469305e+00 -3.871469305e+00 3.38 -3.744600195e+00 -3.744600195e+00 3.40 -3.617408441e+00 -3.617408441e+00 3.42 -3.490482669e+00 -3.490482669e+00 3.44 -3.364434755e+00 -3.364434755e+00 3.46 -3.239886456e+00 -3.239886456e+00 3.48 -3.117447200e+00 -3.117447200e+00 3.50 -2.997691775e+00 -2.997691775e+00 3.52 -2.881138542e+00 -2.881138542e+00 3.54 -2.768230439e+00 -2.768230439e+00 3.56 -2.659320746e+00 -2.659320746e+00 3.58 -2.554664957e+00 -2.554664957e+00 3.60 -2.454419180e+00 -2.454419180e+00 3.62 -2.358644672e+00 -2.358644672e+00 3.64 -2.267317441e+00 -2.267317441e+00 3.66 -2.180341496e+00 -2.180341496e+00 3.68 -2.097564247e+00 -2.097564247e+00 3.70 -2.018792641e+00 -2.018792641e+00 3.72 -1.943808881e+00 -1.943808881e+00 3.74 -1.872384835e+00 -1.872384835e+00 3.76 -1.804294455e+00 -1.804294455e+00 3.78 -1.739323740e+00 -1.739323740e+00 3.80 -1.677277888e+00 -1.677277888e+00 3.82 -1.617985424e+00 -1.617985424e+00 3.84 -1.561299249e+00 -1.561299249e+00 3.86 -1.507094797e+00 -1.507094797e+00 3.88 -1.455265789e+00 -1.455265789e+00 3.90 -1.405718387e+00 -1.405718387e+00 3.92 -1.358363384e+00 -1.358363384e+00 3.94 -1.313116307e+00 -1.313116307e+00 3.96 -1.269883575e+00 -1.269883575e+00 3.98 -1.228566715e+00 -1.228566715e+00 4.00 -1.189060184e+00 -1.189060184e+00 4.02 -1.151252651e+00 -1.151252651e+00 4.04 -1.115029382e+00 -1.115029382e+00 4.06 -1.080275103e+00 -1.080275103e+00 4.08 -1.046876769e+00 -1.046876769e+00 4.10 -1.014720623e+00 -1.014720623e+00 4.12 -9.837161755e-01 -9.837161755e-01 4.14 -9.537622830e-01 -9.537622830e-01 4.16 -9.247724977e-01 -9.247724977e-01 4.18 -8.966684966e-01 -8.966684966e-01 4.20 -8.693806275e-01 -8.693806275e-01 4.22 -8.428477729e-01 -8.428477729e-01 4.24 -8.170168092e-01 -8.170168092e-01 4.26 -7.918425955e-01 -7.918425955e-01 4.28 -7.672879596e-01 -7.672879596e-01 4.30 -7.433236810e-01 -7.433236810e-01 4.32 -7.199284329e-01 -7.199284329e-01 4.34 -6.970886169e-01 -6.970886169e-01 4.36 -6.747980120e-01 -6.747980120e-01 4.38 -6.530571622e-01 -6.530571622e-01 4.40 -6.318724489e-01 -6.318724489e-01 4.42 -6.112548336e-01 -6.112548336e-01 4.44 -5.912183068e-01 -5.912183068e-01 4.46 -5.717781351e-01 -5.717781351e-01 4.48 -5.529490430e-01 -5.529490430e-01 4.50 -5.347434918e-01 -5.347434918e-01 4.52 -5.171702158e-01 -5.171702158e-01 4.54 -5.002331436e-01 -5.002331436e-01 4.56 -4.839307805e-01 -4.839307805e-01 4.58 -4.682560649e-01 -4.682560649e-01 4.60 -4.531966527e-01 -4.531966527e-01 4.62 -4.387355403e-01 -4.387355403e-01 4.64 -4.248519118e-01 -4.248519118e-01 4.66 -4.115220965e-01 -4.115220965e-01 4.68 -3.987205332e-01 -3.987205332e-01 4.70 -3.864206640e-01 -3.864206640e-01 4.72 -3.745957062e-01 -3.745957062e-01 4.74 -3.632192774e-01 -3.632192774e-01 4.76 -3.522658675e-01 -3.522658675e-01 4.78 -3.417111682e-01 -3.417111682e-01 4.80 -3.315291011e-01 -3.315291011e-01 4.82 -3.217051690e-01 -3.217051690e-01 4.84 -3.122157004e-01 -3.122157004e-01 4.86 -3.030423508e-01 -3.030423508e-01 4.88 -2.941681956e-01 -2.941681956e-01 4.90 -2.855776304e-01 -2.855776304e-01 4.92 -2.772562567e-01 -2.772562567e-01 4.94 -2.691907639e-01 -2.691907639e-01 4.96 -2.613688105e-01 -2.613688105e-01 4.98 -2.537789118e-01 -2.537789118e-01 5.00 -2.464103354e-01 -2.464103354e-01 5.02 -2.392530060e-01 -2.392530060e-01 5.04 -2.322974215e-01 -2.322974215e-01 5.06 -2.255345808e-01 -2.255345808e-01 5.08 -2.189559231e-01 -2.189559231e-01 5.10 -2.125532797e-01 -2.125532797e-01 5.12 -2.063188386e-01 -2.063188386e-01 5.14 -2.002451223e-01 -2.002451223e-01 5.16 -1.943249786e-01 -1.943249786e-01 5.18 -1.885515871e-01 -1.885515871e-01 5.20 -1.829184786e-01 -1.829184786e-01 5.22 -1.774195707e-01 -1.774195707e-01 5.24 -1.720492167e-01 -1.720492167e-01 5.26 -1.668022681e-01 -1.668022681e-01 5.28 -1.616741465e-01 -1.616741465e-01 5.30 -1.566609226e-01 -1.566609226e-01 5.32 -1.517593945e-01 -1.517593945e-01 5.34 -1.469671578e-01 -1.469671578e-01 5.36 -1.422826590e-01 -1.422826590e-01 5.38 -1.377052200e-01 -1.377052200e-01 5.40 -1.332350246e-01 -1.332350246e-01 5.42 -1.288730576e-01 -1.288730576e-01 5.44 -1.246209916e-01 -1.246209916e-01 5.46 -1.204810213e-01 -1.204810213e-01 5.48 -1.164556516e-01 -1.164556516e-01 5.50 -1.125474525e-01 -1.125474525e-01 5.52 -1.087587988e-01 -1.087587988e-01 5.54 -1.050916168e-01 -1.050916168e-01 5.56 -1.015471588e-01 -1.015471588e-01 5.58 -9.812582563e-02 -9.812582563e-02 5.60 -9.482696784e-02 -9.482696784e-02 5.62 -9.164895885e-02 -9.164895885e-02 5.64 -8.858928752e-02 -8.858928752e-02 5.66 -8.564448144e-02 -8.564448144e-02 5.68 -8.281022533e-02 -8.281022533e-02 5.70 -8.008150732e-02 -8.008150732e-02 5.72 -7.745277690e-02 -7.745277690e-02 5.74 -7.491810130e-02 -7.491810130e-02 5.76 -7.247130993e-02 -7.247130993e-02 5.78 -7.010612048e-02 -7.010612048e-02 5.80 -6.781624330e-02 -6.781624330e-02 5.82 -6.559546389e-02 -6.559546389e-02 5.84 -6.343770498e-02 -6.343770498e-02 5.86 -6.133707128e-02 -6.133707128e-02 5.88 -5.928788084e-02 -5.928788084e-02 5.90 -5.728468691e-02 -5.728468691e-02 5.92 -5.532229433e-02 -5.532229433e-02 5.94 -5.339577422e-02 -5.339577422e-02 5.96 -5.150048001e-02 -5.150048001e-02 5.98 -4.963206773e-02 -4.963206773e-02 6.00 -4.778652404e-02 -4.778652404e-02