# 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 = FePb2Pd # 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 3.622557811e+02 3.622557811e+02 1.30 3.369603210e+02 3.369603210e+02 1.32 3.134932740e+02 3.134932740e+02 1.34 2.917135199e+02 2.917135199e+02 1.36 2.714878637e+02 2.714878637e+02 1.38 2.526915557e+02 2.526915557e+02 1.40 2.352098787e+02 2.352098787e+02 1.42 2.189391201e+02 2.189391201e+02 1.44 2.037860807e+02 2.037860807e+02 1.46 1.896666301e+02 1.896666301e+02 1.48 1.765042179e+02 1.765042179e+02 1.50 1.642286916e+02 1.642286916e+02 1.52 1.527753209e+02 1.527753209e+02 1.54 1.420841062e+02 1.420841062e+02 1.56 1.320994142e+02 1.320994142e+02 1.58 1.227699228e+02 1.227699228e+02 1.60 1.140486274e+02 1.140486274e+02 1.62 1.058927441e+02 1.058927441e+02 1.64 9.826344261e+01 9.826344261e+01 1.66 9.112555754e+01 9.112555754e+01 1.68 8.444736920e+01 8.444736920e+01 1.70 7.821273156e+01 7.821273156e+01 1.72 7.241404415e+01 7.241404415e+01 1.74 6.702560535e+01 6.702560535e+01 1.76 6.201950197e+01 6.201950197e+01 1.78 5.736888405e+01 5.736888405e+01 1.80 5.304796793e+01 5.304796793e+01 1.82 4.903220953e+01 4.903220953e+01 1.84 4.529856153e+01 4.529856153e+01 1.86 4.182569762e+01 4.182569762e+01 1.88 3.859415055e+01 3.859415055e+01 1.90 3.558629116e+01 3.558629116e+01 1.92 3.278614888e+01 3.278614888e+01 1.94 3.017915945e+01 3.017915945e+01 1.96 2.775189993e+01 2.775189993e+01 1.98 2.549189005e+01 2.549189005e+01 2.00 2.338746753e+01 2.338746753e+01 2.02 2.142772782e+01 2.142772782e+01 2.04 1.960250237e+01 1.960250237e+01 2.06 1.790235779e+01 1.790235779e+01 2.08 1.631860004e+01 1.631860004e+01 2.10 1.484325789e+01 1.484325789e+01 2.12 1.346904981e+01 1.346904981e+01 2.14 1.218931870e+01 1.218931870e+01 2.16 1.099795300e+01 1.099795300e+01 2.18 9.889306219e+00 9.889306219e+00 2.20 8.858122614e+00 8.858122614e+00 2.22 7.899484187e+00 7.899484187e+00 2.24 7.008774063e+00 7.008774063e+00 2.26 6.181653986e+00 6.181653986e+00 2.28 5.414050634e+00 5.414050634e+00 2.30 4.702139550e+00 4.702139550e+00 2.32 4.042325506e+00 4.042325506e+00 2.34 3.431230073e+00 3.431230073e+00 2.36 2.865666437e+00 2.865666437e+00 2.38 2.342624533e+00 2.342624533e+00 2.40 1.859261036e+00 1.859261036e+00 2.42 1.412897047e+00 1.412897047e+00 2.44 1.001020333e+00 1.001020333e+00 2.46 6.212887397e-01 6.212887397e-01 2.48 2.715289261e-01 2.715289261e-01 2.50 -5.027127360e-02 -5.027127360e-02 2.52 -3.459756842e-01 -3.459756842e-01 2.54 -6.173143666e-01 -6.173143666e-01 2.56 -8.658967085e-01 -8.658967085e-01 2.58 -1.093221648e+00 -1.093221648e+00 2.60 -1.300685498e+00 -1.300685498e+00 2.62 -1.489587597e+00 -1.489587597e+00 2.64 -1.661141052e+00 -1.661141052e+00 2.66 -1.816644687e+00 -1.816644687e+00 2.68 -1.957349580e+00 -1.957349580e+00 2.70 -2.084066536e+00 -2.084066536e+00 2.72 -2.197564869e+00 -2.197564869e+00 2.74 -2.298583544e+00 -2.298583544e+00 2.76 -2.387826359e+00 -2.387826359e+00 2.78 -2.465971556e+00 -2.465971556e+00 2.80 -2.533680039e+00 -2.533680039e+00 2.82 -2.591617529e+00 -2.591617529e+00 2.84 -2.640486376e+00 -2.640486376e+00 2.86 -2.680978701e+00 -2.680978701e+00 2.88 -2.713769369e+00 -2.713769369e+00 2.90 -2.739514009e+00 -2.739514009e+00 2.92 -2.758806522e+00 -2.758806522e+00 2.94 -2.772154118e+00 -2.772154118e+00 2.96 -2.780036457e+00 -2.780036457e+00 2.98 -2.782902413e+00 -2.782902413e+00 3.00 -2.781162571e+00 -2.781162571e+00 3.02 -2.775186033e+00 -2.775186033e+00 3.04 -2.765300923e+00 -2.765300923e+00 3.06 -2.751802164e+00 -2.751802164e+00 3.08 -2.734953736e+00 -2.734953736e+00 3.10 -2.715009027e+00 -2.715009027e+00 3.12 -2.692277782e+00 -2.692277782e+00 3.14 -2.666919296e+00 -2.666919296e+00 3.16 -2.639064424e+00 -2.639064424e+00 3.18 -2.608866479e+00 -2.608866479e+00 3.20 -2.576497618e+00 -2.576497618e+00 3.22 -2.542145456e+00 -2.542145456e+00 3.24 -2.506008372e+00 -2.506008372e+00 3.26 -2.468274578e+00 -2.468274578e+00 3.28 -2.429111752e+00 -2.429111752e+00 3.30 -2.388694646e+00 -2.388694646e+00 3.32 -2.347204029e+00 -2.347204029e+00 3.34 -2.304823035e+00 -2.304823035e+00 3.36 -2.261733399e+00 -2.261733399e+00 3.38 -2.218111537e+00 -2.218111537e+00 3.40 -2.174124310e+00 -2.174124310e+00 3.42 -2.129926980e+00 -2.129926980e+00 3.44 -2.085658122e+00 -2.085658122e+00 3.46 -2.041439456e+00 -2.041439456e+00 3.48 -1.997374691e+00 -1.997374691e+00 3.50 -1.953549833e+00 -1.953549833e+00 3.52 -1.910034345e+00 -1.910034345e+00 3.54 -1.866882958e+00 -1.866882958e+00 3.56 -1.824137904e+00 -1.824137904e+00 3.58 -1.781831368e+00 -1.781831368e+00 3.60 -1.739988012e+00 -1.739988012e+00 3.62 -1.698627392e+00 -1.698627392e+00 3.64 -1.657766175e+00 -1.657766175e+00 3.66 -1.617419992e+00 -1.617419992e+00 3.68 -1.577604817e+00 -1.577604817e+00 3.70 -1.538337759e+00 -1.538337759e+00 3.72 -1.499637201e+00 -1.499637201e+00 3.74 -1.461522315e+00 -1.461522315e+00 3.76 -1.424012049e+00 -1.424012049e+00 3.78 -1.387123829e+00 -1.387123829e+00 3.80 -1.350872220e+00 -1.350872220e+00 3.82 -1.315267839e+00 -1.315267839e+00 3.84 -1.280316706e+00 -1.280316706e+00 3.86 -1.246020150e+00 -1.246020150e+00 3.88 -1.212375238e+00 -1.212375238e+00 3.90 -1.179375625e+00 -1.179375625e+00 3.92 -1.147011858e+00 -1.147011858e+00 3.94 -1.115276013e+00 -1.115276013e+00 3.96 -1.084157520e+00 -1.084157520e+00 3.98 -1.053648021e+00 -1.053648021e+00 4.00 -1.023741272e+00 -1.023741272e+00 4.02 -9.944338173e-01 -9.944338173e-01 4.04 -9.657254095e-01 -9.657254095e-01 4.06 -9.376191353e-01 -9.376191353e-01 4.08 -9.101212164e-01 -9.101212164e-01 4.10 -8.832383273e-01 -8.832383273e-01 4.12 -8.569856902e-01 -8.569856902e-01 4.14 -8.313718448e-01 -8.313718448e-01 4.16 -8.064072350e-01 -8.064072350e-01 4.18 -7.821002544e-01 -7.821002544e-01 4.20 -7.584560335e-01 -7.584560335e-01 4.22 -7.354754903e-01 -7.354754903e-01 4.24 -7.131547435e-01 -7.131547435e-01 4.26 -6.914849304e-01 -6.914849304e-01 4.28 -6.704524095e-01 -6.704524095e-01 4.30 -6.500392784e-01 -6.500392784e-01 4.32 -6.302241071e-01 -6.302241071e-01 4.34 -6.109827817e-01 -6.109827817e-01 4.36 -5.922893618e-01 -5.922893618e-01 4.38 -5.741168816e-01 -5.741168816e-01 4.40 -5.564380500e-01 -5.564380500e-01 4.42 -5.392258328e-01 -5.392258328e-01 4.44 -5.224539207e-01 -5.224539207e-01 4.46 -5.060971001e-01 -5.060971001e-01 4.48 -4.901315523e-01 -4.901315523e-01 4.50 -4.745351078e-01 -4.745351078e-01 4.52 -4.592874823e-01 -4.592874823e-01 4.54 -4.443705108e-01 -4.443705108e-01 4.56 -4.297683933e-01 -4.297683933e-01 4.58 -4.154679528e-01 -4.154679528e-01 4.60 -4.014588948e-01 -4.014588948e-01 4.62 -3.877340500e-01 -3.877340500e-01 4.64 -3.742895683e-01 -3.742895683e-01 4.66 -3.611250272e-01 -3.611250272e-01 4.68 -3.482434120e-01 -3.482434120e-01 4.70 -3.356509325e-01 -3.356509325e-01 4.72 -3.233566455e-01 -3.233566455e-01 4.74 -3.113718746e-01 -3.113718746e-01 4.76 -2.997094412e-01 -2.997094412e-01 4.78 -2.883827470e-01 -2.883827470e-01 4.80 -2.774032394e-01 -2.774032394e-01 4.82 -2.667857811e-01 -2.667857811e-01 4.84 -2.565377750e-01 -2.565377750e-01 4.86 -2.466653594e-01 -2.466653594e-01 4.88 -2.371710735e-01 -2.371710735e-01 4.90 -2.280536090e-01 -2.280536090e-01 4.92 -2.193078311e-01 -2.193078311e-01 4.94 -2.109250419e-01 -2.109250419e-01 4.96 -2.028934392e-01 -2.028934392e-01 4.98 -1.951987117e-01 -1.951987117e-01 5.00 -1.878247093e-01 -1.878247093e-01 5.02 -1.807541264e-01 -1.807541264e-01 5.04 -1.739691644e-01 -1.739691644e-01 5.06 -1.674521301e-01 -1.674521301e-01 5.08 -1.611859512e-01 -1.611859512e-01 5.10 -1.551545977e-01 -1.551545977e-01 5.12 -1.493434070e-01 -1.493434070e-01 5.14 -1.437393088e-01 -1.437393088e-01 5.16 -1.383309584e-01 -1.383309584e-01 5.18 -1.331087829e-01 -1.331087829e-01 5.20 -1.280649442e-01 -1.280649442e-01 5.22 -1.231932272e-01 -1.231932272e-01 5.24 -1.184888614e-01 -1.184888614e-01 5.26 -1.139482855e-01 -1.139482855e-01 5.28 -1.095687475e-01 -1.095687475e-01 5.30 -1.053476260e-01 -1.053476260e-01 5.32 -1.012834722e-01 -1.012834722e-01 5.34 -9.737493441e-02 -9.737493441e-02 5.36 -9.362034462e-02 -9.362034462e-02 5.38 -9.001751142e-02 -9.001751142e-02 5.40 -8.656357026e-02 -8.656357026e-02 5.42 -8.325489690e-02 -8.325489690e-02 5.44 -8.008708289e-02 -8.008708289e-02 5.46 -7.705496666e-02 -7.705496666e-02 5.48 -7.415270991e-02 -7.415270991e-02 5.50 -7.137390680e-02 -7.137390680e-02 5.52 -6.871171300e-02 -6.871171300e-02 5.54 -6.615898247e-02 -6.615898247e-02 5.56 -6.370840221e-02 -6.370840221e-02 5.58 -6.135261721e-02 -6.135261721e-02 5.60 -5.908434112e-02 -5.908434112e-02 5.62 -5.689645004e-02 -5.689645004e-02 5.64 -5.478205920e-02 -5.478205920e-02 5.66 -5.273458371e-02 -5.273458371e-02 5.68 -5.074778559e-02 -5.074778559e-02 5.70 -4.881580975e-02 -4.881580975e-02 5.72 -4.693321190e-02 -4.693321190e-02 5.74 -4.509498109e-02 -4.509498109e-02 5.76 -4.329655954e-02 -4.329655954e-02 5.78 -4.153386157e-02 -4.153386157e-02 5.80 -3.980329209e-02 -3.980329209e-02 5.82 -3.810176743e-02 -3.810176743e-02 5.84 -3.642673689e-02 -3.642673689e-02 5.86 -3.477620475e-02 -3.477620475e-02 5.88 -3.314875136e-02 -3.314875136e-02 5.90 -3.154355127e-02 -3.154355127e-02 5.92 -2.996038585e-02 -2.996038585e-02 5.94 -2.839964745e-02 -2.839964745e-02 5.96 -2.686233204e-02 -2.686233204e-02 5.98 -2.535001773e-02 -2.535001773e-02 6.00 -2.386482503e-02 -2.386482503e-02