# 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 = AuNi2Pb # 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 2.477109670e+02 2.477109670e+02 1.30 2.297619526e+02 2.297619526e+02 1.32 2.131255793e+02 2.131255793e+02 1.34 1.977001450e+02 1.977001450e+02 1.36 1.833922541e+02 1.833922541e+02 1.38 1.701148018e+02 1.701148018e+02 1.40 1.577868176e+02 1.577868176e+02 1.42 1.463340473e+02 1.463340473e+02 1.44 1.356890178e+02 1.356890178e+02 1.46 1.257905225e+02 1.257905225e+02 1.48 1.165830743e+02 1.165830743e+02 1.50 1.080164808e+02 1.080164808e+02 1.52 1.000450987e+02 1.000450987e+02 1.54 9.262663601e+01 9.262663601e+01 1.56 8.572102475e+01 8.572102475e+01 1.58 7.929000671e+01 7.929000671e+01 1.60 7.329738513e+01 7.329738513e+01 1.62 6.770955858e+01 6.770955858e+01 1.64 6.249586438e+01 6.249586438e+01 1.66 5.762855389e+01 5.762855389e+01 1.68 5.309025770e+01 5.309025770e+01 1.70 4.886804482e+01 4.886804482e+01 1.72 4.494372627e+01 4.494372627e+01 1.74 4.129608226e+01 4.129608226e+01 1.76 3.790580875e+01 3.790580875e+01 1.78 3.475544604e+01 3.475544604e+01 1.80 3.182912209e+01 3.182912209e+01 1.82 2.911215732e+01 2.911215732e+01 1.84 2.659070691e+01 2.659070691e+01 1.86 2.425158957e+01 2.425158957e+01 1.88 2.208227923e+01 2.208227923e+01 1.90 2.007093342e+01 2.007093342e+01 1.92 1.820638381e+01 1.820638381e+01 1.94 1.647811289e+01 1.647811289e+01 1.96 1.487622095e+01 1.487622095e+01 1.98 1.339142355e+01 1.339142355e+01 2.00 1.201507062e+01 1.201507062e+01 2.02 1.073917306e+01 1.073917306e+01 2.04 9.556413073e+00 9.556413073e+00 2.06 8.460127002e+00 8.460127002e+00 2.08 7.444263291e+00 7.444263291e+00 2.10 6.503319489e+00 6.503319489e+00 2.12 5.632276290e+00 5.632276290e+00 2.14 4.826524068e+00 4.826524068e+00 2.16 4.081793482e+00 4.081793482e+00 2.18 3.394092878e+00 3.394092878e+00 2.20 2.759656740e+00 2.759656740e+00 2.22 2.174915209e+00 2.174915209e+00 2.24 1.636485258e+00 1.636485258e+00 2.26 1.141180763e+00 1.141180763e+00 2.28 6.860292789e-01 6.860292789e-01 2.30 2.682790224e-01 2.682790224e-01 2.32 -1.146180405e-01 -1.146180405e-01 2.34 -4.650353143e-01 -4.650353143e-01 2.36 -7.852152033e-01 -7.852152033e-01 2.38 -1.077297154e+00 -1.077297154e+00 2.40 -1.343325709e+00 -1.343325709e+00 2.42 -1.585239623e+00 -1.585239623e+00 2.44 -1.804853164e+00 -1.804853164e+00 2.46 -2.003841026e+00 -2.003841026e+00 2.48 -2.183734035e+00 -2.183734035e+00 2.50 -2.345926312e+00 -2.345926312e+00 2.52 -2.491690807e+00 -2.491690807e+00 2.54 -2.622198987e+00 -2.622198987e+00 2.56 -2.738534740e+00 -2.738534740e+00 2.58 -2.841715000e+00 -2.841715000e+00 2.60 -2.932699985e+00 -2.932699985e+00 2.62 -3.012414997e+00 -3.012414997e+00 2.64 -3.081781903e+00 -3.081781903e+00 2.66 -3.141543656e+00 -3.141543656e+00 2.68 -3.192395946e+00 -3.192395946e+00 2.70 -3.234863231e+00 -3.234863231e+00 2.72 -3.269307951e+00 -3.269307951e+00 2.74 -3.296133881e+00 -3.296133881e+00 2.76 -3.315785123e+00 -3.315785123e+00 2.78 -3.328727064e+00 -3.328727064e+00 2.80 -3.335422407e+00 -3.335422407e+00 2.82 -3.336312110e+00 -3.336312110e+00 2.84 -3.331809095e+00 -3.331809095e+00 2.86 -3.322292573e+00 -3.322292573e+00 2.88 -3.308108735e+00 -3.308108735e+00 2.90 -3.289575714e+00 -3.289575714e+00 2.92 -3.266990443e+00 -3.266990443e+00 2.94 -3.240635634e+00 -3.240635634e+00 2.96 -3.210785910e+00 -3.210785910e+00 2.98 -3.177712697e+00 -3.177712697e+00 3.00 -3.141687682e+00 -3.141687682e+00 3.02 -3.102984698e+00 -3.102984698e+00 3.04 -3.061879240e+00 -3.061879240e+00 3.06 -3.018658525e+00 -3.018658525e+00 3.08 -2.973626296e+00 -2.973626296e+00 3.10 -2.927015649e+00 -2.927015649e+00 3.12 -2.879049064e+00 -2.879049064e+00 3.14 -2.829945300e+00 -2.829945300e+00 3.16 -2.779911256e+00 -2.779911256e+00 3.18 -2.729142415e+00 -2.729142415e+00 3.20 -2.677820312e+00 -2.677820312e+00 3.22 -2.626110385e+00 -2.626110385e+00 3.24 -2.574153471e+00 -2.574153471e+00 3.26 -2.522070076e+00 -2.522070076e+00 3.28 -2.469966645e+00 -2.469966645e+00 3.30 -2.417935609e+00 -2.417935609e+00 3.32 -2.366056110e+00 -2.366056110e+00 3.34 -2.314395219e+00 -2.314395219e+00 3.36 -2.263009383e+00 -2.263009383e+00 3.38 -2.211945839e+00 -2.211945839e+00 3.40 -2.161243635e+00 -2.161243635e+00 3.42 -2.110935313e+00 -2.110935313e+00 3.44 -2.061046467e+00 -2.061046467e+00 3.46 -2.011597148e+00 -2.011597148e+00 3.48 -1.962602235e+00 -1.962602235e+00 3.50 -1.914072101e+00 -1.914072101e+00 3.52 -1.866013437e+00 -1.866013437e+00 3.54 -1.818430245e+00 -1.818430245e+00 3.56 -1.771324949e+00 -1.771324949e+00 3.58 -1.724699579e+00 -1.724699579e+00 3.60 -1.678556936e+00 -1.678556936e+00 3.62 -1.632901660e+00 -1.632901660e+00 3.64 -1.587741146e+00 -1.587741146e+00 3.66 -1.543086294e+00 -1.543086294e+00 3.68 -1.498952061e+00 -1.498952061e+00 3.70 -1.455357862e+00 -1.455357862e+00 3.72 -1.412327829e+00 -1.412327829e+00 3.74 -1.369890959e+00 -1.369890959e+00 3.76 -1.328081148e+00 -1.328081148e+00 3.78 -1.286937102e+00 -1.286937102e+00 3.80 -1.246502025e+00 -1.246502025e+00 3.82 -1.206822999e+00 -1.206822999e+00 3.84 -1.167949866e+00 -1.167949866e+00 3.86 -1.129933523e+00 -1.129933523e+00 3.88 -1.092823578e+00 -1.092823578e+00 3.90 -1.056665482e+00 -1.056665482e+00 3.92 -1.021497086e+00 -1.021497086e+00 3.94 -9.873472330e-01 -9.873472330e-01 3.96 -9.542310855e-01 -9.542310855e-01 3.98 -9.221504699e-01 -9.221504699e-01 4.00 -8.910932311e-01 -8.910932311e-01 4.02 -8.610341226e-01 -8.610341226e-01 4.04 -8.319365705e-01 -8.319365705e-01 4.06 -8.037549957e-01 -8.037549957e-01 4.08 -7.764373684e-01 -7.764373684e-01 4.10 -7.499266676e-01 -7.499266676e-01 4.12 -7.241675687e-01 -7.241675687e-01 4.14 -6.991014846e-01 -6.991014846e-01 4.16 -6.746730593e-01 -6.746730593e-01 4.18 -6.508302058e-01 -6.508302058e-01 4.20 -6.275251808e-01 -6.275251808e-01 4.22 -6.047154644e-01 -6.047154644e-01 4.24 -5.823644914e-01 -5.823644914e-01 4.26 -5.604422686e-01 -5.604422686e-01 4.28 -5.389258947e-01 -5.389258947e-01 4.30 -5.177999898e-01 -5.177999898e-01 4.32 -4.970570299e-01 -4.970570299e-01 4.34 -4.766975659e-01 -4.766975659e-01 4.36 -4.567302914e-01 -4.567302914e-01 4.38 -4.371719005e-01 -4.371719005e-01 4.40 -4.180466539e-01 -4.180466539e-01 4.42 -3.993855609e-01 -3.993855609e-01 4.44 -3.812250952e-01 -3.812250952e-01 4.46 -3.636054007e-01 -3.636054007e-01 4.48 -3.465680209e-01 -3.465680209e-01 4.50 -3.301532729e-01 -3.301532729e-01 4.52 -3.143974836e-01 -3.143974836e-01 4.54 -2.993303635e-01 -2.993303635e-01 4.56 -2.849728086e-01 -2.849728086e-01 4.58 -2.713353740e-01 -2.713353740e-01 4.60 -2.584175709e-01 -2.584175709e-01 4.62 -2.462080090e-01 -2.462080090e-01 4.64 -2.346853101e-01 -2.346853101e-01 4.66 -2.238196257e-01 -2.238196257e-01 4.68 -2.135745243e-01 -2.135745243e-01 4.70 -2.039090268e-01 -2.039090268e-01 4.72 -1.947796184e-01 -1.947796184e-01 4.74 -1.861419360e-01 -1.861419360e-01 4.76 -1.779519072e-01 -1.779519072e-01 4.78 -1.701689296e-01 -1.701689296e-01 4.80 -1.627545419e-01 -1.627545419e-01 4.82 -1.556762901e-01 -1.556762901e-01 4.84 -1.489030894e-01 -1.489030894e-01 4.86 -1.424091014e-01 -1.424091014e-01 4.88 -1.361728222e-01 -1.361728222e-01 4.90 -1.301769331e-01 -1.301769331e-01 4.92 -1.244079967e-01 -1.244079967e-01 4.94 -1.188560276e-01 -1.188560276e-01 4.96 -1.135139654e-01 -1.135139654e-01 4.98 -1.083770780e-01 -1.083770780e-01 5.00 -1.034423320e-01 -1.034423320e-01 5.02 -9.870776355e-02 -9.870776355e-02 5.04 -9.417189116e-02 -9.417189116e-02 5.06 -8.983320299e-02 -8.983320299e-02 5.08 -8.568974806e-02 -8.568974806e-02 5.10 -8.173884853e-02 -8.173884853e-02 5.12 -7.797693828e-02 -7.797693828e-02 5.14 -7.439951976e-02 -7.439951976e-02 5.16 -7.100122080e-02 -7.100122080e-02 5.18 -6.777592530e-02 -6.777592530e-02 5.20 -6.471694888e-02 -6.471694888e-02 5.22 -6.181723089e-02 -6.181723089e-02 5.24 -5.906951845e-02 -5.906951845e-02 5.26 -5.646651721e-02 -5.646651721e-02 5.28 -5.400093702e-02 -5.400093702e-02 5.30 -5.166575607e-02 -5.166575607e-02 5.32 -4.945419434e-02 -4.945419434e-02 5.34 -4.735968607e-02 -4.735968607e-02 5.36 -4.537586898e-02 -4.537586898e-02 5.38 -4.349656163e-02 -4.349656163e-02 5.40 -4.171573763e-02 -4.171573763e-02 5.42 -4.002750385e-02 -4.002750385e-02 5.44 -3.842608675e-02 -3.842608675e-02 5.46 -3.690582889e-02 -3.690582889e-02 5.48 -3.546119515e-02 -3.546119515e-02 5.50 -3.408678699e-02 -3.408678699e-02 5.52 -3.277736193e-02 -3.277736193e-02 5.54 -3.152785554e-02 -3.152785554e-02 5.56 -3.033340318e-02 -3.033340318e-02 5.58 -2.918935960e-02 -2.918935960e-02 5.60 -2.809131501e-02 -2.809131501e-02 5.62 -2.703510713e-02 -2.703510713e-02 5.64 -2.601682894e-02 -2.601682894e-02 5.66 -2.503283287e-02 -2.503283287e-02 5.68 -2.407973237e-02 -2.407973237e-02 5.70 -2.315440139e-02 -2.315440139e-02 5.72 -2.225397310e-02 -2.225397310e-02 5.74 -2.137583852e-02 -2.137583852e-02 5.76 -2.051764605e-02 -2.051764605e-02 5.78 -1.967730229e-02 -1.967730229e-02 5.80 -1.885297463e-02 -1.885297463e-02 5.82 -1.804309558e-02 -1.804309558e-02 5.84 -1.724636862e-02 -1.724636862e-02 5.86 -1.646177515e-02 -1.646177515e-02 5.88 -1.568858152e-02 -1.568858152e-02 5.90 -1.492634530e-02 -1.492634530e-02 5.92 -1.417491932e-02 -1.417491932e-02 5.94 -1.343444027e-02 -1.343444027e-02 5.96 -1.270526813e-02 -1.270526813e-02 5.98 -1.198812490e-02 -1.198812490e-02 6.00 -1.128401022e-02 -1.128401022e-02