# 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 = Co2CuMo # 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 1.574158254e+02 1.574158254e+02 1.30 1.445767818e+02 1.445767818e+02 1.32 1.327684821e+02 1.327684821e+02 1.34 1.218990605e+02 1.218990605e+02 1.36 1.118833049e+02 1.118833049e+02 1.38 1.026442656e+02 1.026442656e+02 1.40 9.411403669e+01 9.411403669e+01 1.42 8.623334891e+01 8.623334891e+01 1.44 7.894998841e+01 7.894998841e+01 1.46 7.221699872e+01 7.221699872e+01 1.48 6.599168726e+01 6.599168726e+01 1.50 6.023539698e+01 6.023539698e+01 1.52 5.491332418e+01 5.491332418e+01 1.54 4.999405105e+01 4.999405105e+01 1.56 4.544897931e+01 4.544897931e+01 1.58 4.125186093e+01 4.125186093e+01 1.60 3.737844907e+01 3.737844907e+01 1.62 3.380619174e+01 3.380619174e+01 1.64 3.051414639e+01 3.051414639e+01 1.66 2.748449508e+01 2.748449508e+01 1.68 2.469866142e+01 2.469866142e+01 1.70 2.213920764e+01 2.213920764e+01 1.72 1.978811904e+01 1.978811904e+01 1.74 1.762811058e+01 1.762811058e+01 1.76 1.564279603e+01 1.564279603e+01 1.78 1.381691268e+01 1.381691268e+01 1.80 1.213662097e+01 1.213662097e+01 1.82 1.058971649e+01 1.058971649e+01 1.84 9.165641985e+00 9.165641985e+00 1.86 7.855303875e+00 7.855303875e+00 1.88 6.650769202e+00 6.650769202e+00 1.90 5.544928285e+00 5.544928285e+00 1.92 4.531199485e+00 4.531199485e+00 1.94 3.603335137e+00 3.603335137e+00 1.96 2.755347599e+00 2.755347599e+00 1.98 1.981523679e+00 1.981523679e+00 2.00 1.276469054e+00 1.276469054e+00 2.02 6.351310412e-01 6.351310412e-01 2.04 5.277270011e-02 5.277270011e-02 2.06 -4.750944728e-01 -4.750944728e-01 2.08 -9.527826561e-01 -9.527826561e-01 2.10 -1.384465490e+00 -1.384465490e+00 2.12 -1.774165283e+00 -1.774165283e+00 2.14 -2.125699527e+00 -2.125699527e+00 2.16 -2.442610950e+00 -2.442610950e+00 2.18 -2.728107247e+00 -2.728107247e+00 2.20 -2.985030171e+00 -2.985030171e+00 2.22 -3.215861939e+00 -3.215861939e+00 2.24 -3.422764030e+00 -3.422764030e+00 2.26 -3.607634919e+00 -3.607634919e+00 2.28 -3.772171727e+00 -3.772171727e+00 2.30 -3.917907485e+00 -3.917907485e+00 2.32 -4.046120626e+00 -4.046120626e+00 2.34 -4.158288243e+00 -4.158288243e+00 2.36 -4.255823069e+00 -4.255823069e+00 2.38 -4.339979257e+00 -4.339979257e+00 2.40 -4.411862996e+00 -4.411862996e+00 2.42 -4.472449886e+00 -4.472449886e+00 2.44 -4.522609237e+00 -4.522609237e+00 2.46 -4.563048101e+00 -4.563048101e+00 2.48 -4.594236208e+00 -4.594236208e+00 2.50 -4.616713755e+00 -4.616713755e+00 2.52 -4.630933201e+00 -4.630933201e+00 2.54 -4.637325697e+00 -4.637325697e+00 2.56 -4.636370065e+00 -4.636370065e+00 2.58 -4.628585937e+00 -4.628585937e+00 2.60 -4.614519894e+00 -4.614519894e+00 2.62 -4.594827777e+00 -4.594827777e+00 2.64 -4.570196860e+00 -4.570196860e+00 2.66 -4.540772201e+00 -4.540772201e+00 2.68 -4.506576221e+00 -4.506576221e+00 2.70 -4.467625036e+00 -4.467625036e+00 2.72 -4.423962090e+00 -4.423962090e+00 2.74 -4.375657143e+00 -4.375657143e+00 2.76 -4.322813829e+00 -4.322813829e+00 2.78 -4.265598772e+00 -4.265598772e+00 2.80 -4.204196542e+00 -4.204196542e+00 2.82 -4.138794946e+00 -4.138794946e+00 2.84 -4.069588994e+00 -4.069588994e+00 2.86 -3.996788595e+00 -3.996788595e+00 2.88 -3.920628225e+00 -3.920628225e+00 2.90 -3.841376299e+00 -3.841376299e+00 2.92 -3.759342125e+00 -3.759342125e+00 2.94 -3.674878813e+00 -3.674878813e+00 2.96 -3.588381166e+00 -3.588381166e+00 2.98 -3.500278171e+00 -3.500278171e+00 3.00 -3.411020181e+00 -3.411020181e+00 3.02 -3.321061406e+00 -3.321061406e+00 3.04 -3.230839004e+00 -3.230839004e+00 3.06 -3.140750963e+00 -3.140750963e+00 3.08 -3.051135890e+00 -3.051135890e+00 3.10 -2.962258113e+00 -2.962258113e+00 3.12 -2.874300728e+00 -2.874300728e+00 3.14 -2.787367527e+00 -2.787367527e+00 3.16 -2.701492719e+00 -2.701492719e+00 3.18 -2.616655980e+00 -2.616655980e+00 3.20 -2.532799977e+00 -2.532799977e+00 3.22 -2.449847976e+00 -2.449847976e+00 3.24 -2.367719989e+00 -2.367719989e+00 3.26 -2.286346677e+00 -2.286346677e+00 3.28 -2.205680749e+00 -2.205680749e+00 3.30 -2.125705808e+00 -2.125705808e+00 3.32 -2.046442613e+00 -2.046442613e+00 3.34 -1.967952677e+00 -1.967952677e+00 3.36 -1.890339047e+00 -1.890339047e+00 3.38 -1.813744151e+00 -1.813744151e+00 3.40 -1.738344665e+00 -1.738344665e+00 3.42 -1.664343632e+00 -1.664343632e+00 3.44 -1.591960260e+00 -1.591960260e+00 3.46 -1.521418187e+00 -1.521418187e+00 3.48 -1.452933182e+00 -1.452933182e+00 3.50 -1.386701377e+00 -1.386701377e+00 3.52 -1.322889080e+00 -1.322889080e+00 3.54 -1.261625039e+00 -1.261625039e+00 3.56 -1.202995672e+00 -1.202995672e+00 3.58 -1.147043458e+00 -1.147043458e+00 3.60 -1.093768298e+00 -1.093768298e+00 3.62 -1.043131394e+00 -1.043131394e+00 3.64 -9.950610079e-01 -9.950610079e-01 3.66 -9.494594078e-01 -9.494594078e-01 3.68 -9.062103337e-01 -9.062103337e-01 3.70 -8.651863876e-01 -8.651863876e-01 3.72 -8.262558759e-01 -8.262558759e-01 3.74 -7.892887327e-01 -7.892887327e-01 3.76 -7.541612539e-01 -7.541612539e-01 3.78 -7.207594618e-01 -7.207594618e-01 3.80 -6.889810073e-01 -6.889810073e-01 3.82 -6.587356219e-01 -6.587356219e-01 3.84 -6.299442513e-01 -6.299442513e-01 3.86 -6.025371322e-01 -6.025371322e-01 3.88 -5.764511897e-01 -5.764511897e-01 3.90 -5.516271975e-01 -5.516271975e-01 3.92 -5.280071408e-01 -5.280071408e-01 3.94 -5.055321359e-01 -5.055321359e-01 3.96 -4.841411199e-01 -4.841411199e-01 3.98 -4.637703611e-01 -4.637703611e-01 4.00 -4.443536991e-01 -4.443536991e-01 4.02 -4.258233327e-01 -4.258233327e-01 4.04 -4.081109417e-01 -4.081109417e-01 4.06 -3.911489508e-01 -3.911489508e-01 4.08 -3.748717901e-01 -3.748717901e-01 4.10 -3.592170692e-01 -3.592170692e-01 4.12 -3.441266296e-01 -3.441266296e-01 4.14 -3.295474712e-01 -3.295474712e-01 4.16 -3.154325619e-01 -3.154325619e-01 4.18 -3.017415269e-01 -3.017415269e-01 4.20 -2.884411955e-01 -2.884411955e-01 4.22 -2.755059577e-01 -2.755059577e-01 4.24 -2.629178685e-01 -2.629178685e-01 4.26 -2.506664356e-01 -2.506664356e-01 4.28 -2.387480532e-01 -2.387480532e-01 4.30 -2.271650865e-01 -2.271650865e-01 4.32 -2.159246695e-01 -2.159246695e-01 4.34 -2.050373250e-01 -2.050373250e-01 4.36 -1.945155403e-01 -1.945155403e-01 4.38 -1.843724203e-01 -1.843724203e-01 4.40 -1.746205011e-01 -1.746205011e-01 4.42 -1.652707568e-01 -1.652707568e-01 4.44 -1.563317870e-01 -1.563317870e-01 4.46 -1.478091548e-01 -1.478091548e-01 4.48 -1.397048517e-01 -1.397048517e-01 4.50 -1.320168878e-01 -1.320168878e-01 4.52 -1.247390261e-01 -1.247390261e-01 4.54 -1.178606968e-01 -1.178606968e-01 4.56 -1.113671137e-01 -1.113671137e-01 4.58 -1.052396058e-01 -1.052396058e-01 4.60 -9.945614318e-02 -9.945614318e-02 4.62 -9.399201704e-02 -9.399201704e-02 4.64 -8.882035763e-02 -8.882035763e-02 4.66 -8.391347586e-02 -8.391347586e-02 4.68 -7.924370442e-02 -7.924370442e-02 4.70 -7.478379089e-02 -7.478379089e-02 4.72 -7.050768374e-02 -7.050768374e-02 4.74 -6.639123742e-02 -6.639123742e-02 4.76 -6.241284028e-02 -6.241284028e-02 4.78 -5.855396945e-02 -5.855396945e-02 4.80 -5.479967080e-02 -5.479967080e-02 4.82 -5.113895249e-02 -5.113895249e-02 4.84 -4.756506645e-02 -4.756506645e-02 4.86 -4.407564361e-02 -4.407564361e-02 4.88 -4.067264191e-02 -4.067264191e-02 4.90 -3.736206745e-02 -3.736206745e-02 4.92 -3.415344072e-02 -3.415344072e-02 4.94 -3.105901215e-02 -3.105901215e-02 4.96 -2.809276103e-02 -2.809276103e-02 4.98 -2.526924197e-02 -2.526924197e-02 5.00 -2.260239120e-02 -2.260239120e-02 5.02 -2.010440615e-02 -2.010440615e-02 5.04 -1.778480529e-02 -1.778480529e-02 5.06 -1.564975983e-02 -1.564975983e-02 5.08 -1.370152452e-02 -1.370152452e-02 5.10 -1.193870971e-02 -1.193870971e-02 5.12 -1.035688919e-02 -1.035688919e-02 5.14 -8.948552381e-03 -8.948552381e-03 5.16 -7.703744574e-03 -7.703744574e-03 5.18 -6.610764388e-03 -6.610764388e-03 5.20 -5.656841042e-03 -5.656841042e-03 5.22 -4.828740588e-03 -4.828740588e-03 5.24 -4.113271142e-03 -4.113271142e-03 5.26 -3.497675458e-03 -3.497675458e-03 5.28 -2.969913135e-03 -2.969913135e-03 5.30 -2.518843818e-03 -2.518843818e-03 5.32 -2.134327550e-03 -2.134327550e-03 5.34 -1.807259898e-03 -1.807259898e-03 5.36 -1.529558723e-03 -1.529558723e-03 5.38 -1.294117411e-03 -1.294117411e-03 5.40 -1.094736774e-03 -1.094736774e-03 5.42 -9.260451770e-04 -9.260451770e-04 5.44 -7.834139603e-04 -7.834139603e-04 5.46 -6.628731814e-04 -6.628731814e-04 5.48 -5.610309879e-04 -5.610309879e-04 5.50 -4.749986594e-04 -4.749986594e-04 5.52 -4.023223971e-04 -4.023223971e-04 5.54 -3.409222650e-04 -3.409222650e-04 5.56 -2.890382324e-04 -2.890382324e-04 5.58 -2.451829775e-04 -2.451829775e-04 5.60 -2.081009420e-04 -2.081009420e-04 5.62 -1.767330443e-04 -1.767330443e-04 5.64 -1.501864319e-04 -1.501864319e-04 5.66 -1.277086667e-04 -1.277086667e-04 5.68 -1.086657723e-04 -1.086657723e-04 5.70 -9.252361750e-05 -9.252361750e-05 5.72 -7.883216692e-05 -7.883216692e-05 5.74 -6.721218142e-05 -6.721218142e-05 5.76 -5.734400304e-05 -5.734400304e-05 5.78 -4.895810900e-05 -4.895810900e-05 5.80 -4.182716224e-05 -4.182716224e-05 5.82 -3.575932566e-05 -3.575932566e-05 5.84 -3.059264128e-05 -3.059264128e-05 5.86 -2.619030615e-05 -2.619030615e-05 5.88 -2.243670213e-05 -2.243670213e-05 5.90 -1.923405932e-05 -1.923405932e-05 5.92 -1.649965166e-05 -1.649965166e-05 5.94 -1.416343919e-05 -1.416343919e-05 5.96 -1.216608548e-05 -1.216608548e-05 5.98 -1.045728977e-05 -1.045728977e-05 6.00 -8.994383423e-06 -8.994383423e-06