# 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 = NiPbZr2 # 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 3.661650373e+02 3.661650373e+02 1.30 3.416143387e+02 3.416143387e+02 1.32 3.187932405e+02 3.187932405e+02 1.34 2.975653496e+02 2.975653496e+02 1.36 2.778063417e+02 2.778063417e+02 1.38 2.594040659e+02 2.594040659e+02 1.40 2.422577596e+02 2.422577596e+02 1.42 2.262763346e+02 2.262763346e+02 1.44 2.113762933e+02 2.113762933e+02 1.46 1.974797374e+02 1.974797374e+02 1.48 1.845131937e+02 1.845131937e+02 1.50 1.724076379e+02 1.724076379e+02 1.52 1.610992229e+02 1.610992229e+02 1.54 1.505296230e+02 1.505296230e+02 1.56 1.406457561e+02 1.406457561e+02 1.58 1.313990509e+02 1.313990509e+02 1.60 1.227447951e+02 1.227447951e+02 1.62 1.146417457e+02 1.146417457e+02 1.64 1.070520287e+02 1.070520287e+02 1.66 9.994099468e+01 9.994099468e+01 1.68 9.327695680e+01 9.327695680e+01 1.70 8.703086919e+01 8.703086919e+01 1.72 8.117589991e+01 8.117589991e+01 1.74 7.568702956e+01 7.568702956e+01 1.76 7.054073612e+01 7.054073612e+01 1.78 6.571483846e+01 6.571483846e+01 1.80 6.118847619e+01 6.118847619e+01 1.82 5.694215764e+01 5.694215764e+01 1.84 5.295779563e+01 5.295779563e+01 1.86 4.921870506e+01 4.921870506e+01 1.88 4.570945566e+01 4.570945566e+01 1.90 4.241569850e+01 4.241569850e+01 1.92 3.932468464e+01 3.932468464e+01 1.94 3.642370037e+01 3.642370037e+01 1.96 3.370045187e+01 3.370045187e+01 1.98 3.114690782e+01 3.114690782e+01 2.00 2.875410190e+01 2.875410190e+01 2.02 2.651157966e+01 2.651157966e+01 2.04 2.440971727e+01 2.440971727e+01 2.06 2.243965265e+01 2.243965265e+01 2.08 2.059320495e+01 2.059320495e+01 2.10 1.886282260e+01 1.886282260e+01 2.12 1.724151291e+01 1.724151291e+01 2.14 1.572278657e+01 1.572278657e+01 2.16 1.430060273e+01 1.430060273e+01 2.18 1.296930831e+01 1.296930831e+01 2.20 1.172359477e+01 1.172359477e+01 2.22 1.055844164e+01 1.055844164e+01 2.24 9.469081267e+00 9.469081267e+00 2.26 8.450982424e+00 8.450982424e+00 2.28 7.499829976e+00 7.499829976e+00 2.30 6.611549926e+00 6.611549926e+00 2.32 5.782278680e+00 5.782278680e+00 2.34 5.008360287e+00 5.008360287e+00 2.36 4.286326629e+00 4.286326629e+00 2.38 3.612890215e+00 3.612890215e+00 2.40 2.984941997e+00 2.984941997e+00 2.42 2.399543946e+00 2.399543946e+00 2.44 1.853933028e+00 1.853933028e+00 2.46 1.345513430e+00 1.345513430e+00 2.48 8.718610417e-01 8.718610417e-01 2.50 4.307297245e-01 4.307297245e-01 2.52 2.005483913e-02 2.005483913e-02 2.54 -3.620514538e-01 -3.620514538e-01 2.56 -7.173138568e-01 -7.173138568e-01 2.58 -1.047313426e+00 -1.047313426e+00 2.60 -1.353509224e+00 -1.353509224e+00 2.62 -1.637258267e+00 -1.637258267e+00 2.64 -1.899842157e+00 -1.899842157e+00 2.66 -2.142474328e+00 -2.142474328e+00 2.68 -2.366322066e+00 -2.366322066e+00 2.70 -2.572514797e+00 -2.572514797e+00 2.72 -2.762248855e+00 -2.762248855e+00 2.74 -2.936562928e+00 -2.936562928e+00 2.76 -3.096363145e+00 -3.096363145e+00 2.78 -3.242526339e+00 -3.242526339e+00 2.80 -3.375895300e+00 -3.375895300e+00 2.82 -3.497249549e+00 -3.497249549e+00 2.84 -3.607313487e+00 -3.607313487e+00 2.86 -3.706754584e+00 -3.706754584e+00 2.88 -3.796176697e+00 -3.796176697e+00 2.90 -3.875969987e+00 -3.875969987e+00 2.92 -3.946408383e+00 -3.946408383e+00 2.94 -4.007792321e+00 -4.007792321e+00 2.96 -4.060447267e+00 -4.060447267e+00 2.98 -4.104718583e+00 -4.104718583e+00 3.00 -4.140964896e+00 -4.140964896e+00 3.02 -4.169555407e+00 -4.169555407e+00 3.04 -4.190862108e+00 -4.190862108e+00 3.06 -4.205276159e+00 -4.205276159e+00 3.08 -4.213177733e+00 -4.213177733e+00 3.10 -4.214957854e+00 -4.214957854e+00 3.12 -4.211011549e+00 -4.211011549e+00 3.14 -4.201749567e+00 -4.201749567e+00 3.16 -4.187573007e+00 -4.187573007e+00 3.18 -4.168831090e+00 -4.168831090e+00 3.20 -4.145855099e+00 -4.145855099e+00 3.22 -4.118982976e+00 -4.118982976e+00 3.24 -4.088551775e+00 -4.088551775e+00 3.26 -4.054891804e+00 -4.054891804e+00 3.28 -4.018322956e+00 -4.018322956e+00 3.30 -3.979152410e+00 -3.979152410e+00 3.32 -3.937672360e+00 -3.937672360e+00 3.34 -3.894156800e+00 -3.894156800e+00 3.36 -3.848857350e+00 -3.848857350e+00 3.38 -3.801999032e+00 -3.801999032e+00 3.40 -3.753775594e+00 -3.753775594e+00 3.42 -3.704356017e+00 -3.704356017e+00 3.44 -3.653874700e+00 -3.653874700e+00 3.46 -3.602443253e+00 -3.602443253e+00 3.48 -3.550153008e+00 -3.550153008e+00 3.50 -3.497079929e+00 -3.497079929e+00 3.52 -3.443289143e+00 -3.443289143e+00 3.54 -3.388838752e+00 -3.388838752e+00 3.56 -3.333782852e+00 -3.333782852e+00 3.58 -3.278173784e+00 -3.278173784e+00 3.60 -3.222063738e+00 -3.222063738e+00 3.62 -3.165505822e+00 -3.165505822e+00 3.64 -3.108554755e+00 -3.108554755e+00 3.66 -3.051267337e+00 -3.051267337e+00 3.68 -2.993706048e+00 -2.993706048e+00 3.70 -2.935958701e+00 -2.935958701e+00 3.72 -2.878077828e+00 -2.878077828e+00 3.74 -2.820114495e+00 -2.820114495e+00 3.76 -2.762130360e+00 -2.762130360e+00 3.78 -2.704198934e+00 -2.704198934e+00 3.80 -2.646406700e+00 -2.646406700e+00 3.82 -2.588853517e+00 -2.588853517e+00 3.84 -2.531651762e+00 -2.531651762e+00 3.86 -2.474923696e+00 -2.474923696e+00 3.88 -2.418795966e+00 -2.418795966e+00 3.90 -2.363389163e+00 -2.363389163e+00 3.92 -2.308810765e+00 -2.308810765e+00 3.94 -2.255166472e+00 -2.255166472e+00 3.96 -2.202530213e+00 -2.202530213e+00 3.98 -2.150957553e+00 -2.150957553e+00 4.00 -2.100480111e+00 -2.100480111e+00 4.02 -2.051106893e+00 -2.051106893e+00 4.04 -2.002827405e+00 -2.002827405e+00 4.06 -1.955615760e+00 -1.955615760e+00 4.08 -1.909435055e+00 -1.909435055e+00 4.10 -1.864233814e+00 -1.864233814e+00 4.12 -1.819981295e+00 -1.819981295e+00 4.14 -1.776619971e+00 -1.776619971e+00 4.16 -1.734102687e+00 -1.734102687e+00 4.18 -1.692384618e+00 -1.692384618e+00 4.20 -1.651424082e+00 -1.651424082e+00 4.22 -1.611183046e+00 -1.611183046e+00 4.24 -1.571627447e+00 -1.571627447e+00 4.26 -1.532727435e+00 -1.532727435e+00 4.28 -1.494457621e+00 -1.494457621e+00 4.30 -1.456797357e+00 -1.456797357e+00 4.32 -1.419731056e+00 -1.419731056e+00 4.34 -1.383248521e+00 -1.383248521e+00 4.36 -1.347345240e+00 -1.347345240e+00 4.38 -1.312022553e+00 -1.312022553e+00 4.40 -1.277287617e+00 -1.277287617e+00 4.42 -1.243153082e+00 -1.243153082e+00 4.44 -1.209636421e+00 -1.209636421e+00 4.46 -1.176758883e+00 -1.176758883e+00 4.48 -1.144544118e+00 -1.144544118e+00 4.50 -1.113016542e+00 -1.113016542e+00 4.52 -1.082199598e+00 -1.082199598e+00 4.54 -1.052114071e+00 -1.052114071e+00 4.56 -1.022776639e+00 -1.022776639e+00 4.58 -9.941987790e-01 -9.941987790e-01 4.60 -9.663861306e-01 -9.663861306e-01 4.62 -9.393383305e-01 -9.393383305e-01 4.64 -9.130492715e-01 -9.130492715e-01 4.66 -8.875077017e-01 -8.875077017e-01 4.68 -8.626980501e-01 -8.626980501e-01 4.70 -8.386013612e-01 -8.386013612e-01 4.72 -8.151962388e-01 -8.151962388e-01 4.74 -7.924597212e-01 -7.924597212e-01 4.76 -7.703680375e-01 -7.703680375e-01 4.78 -7.488972217e-01 -7.488972217e-01 4.80 -7.280168846e-01 -7.280168846e-01 4.82 -7.077184483e-01 -7.077184483e-01 4.84 -6.879716222e-01 -6.879716222e-01 4.86 -6.687550884e-01 -6.687550884e-01 4.88 -6.500484896e-01 -6.500484896e-01 4.90 -6.318324164e-01 -6.318324164e-01 4.92 -6.140883580e-01 -6.140883580e-01 4.94 -5.967986321e-01 -5.967986321e-01 4.96 -5.799463049e-01 -5.799463049e-01 4.98 -5.635151120e-01 -5.635151120e-01 5.00 -5.474893845e-01 -5.474893845e-01 5.02 -5.318539871e-01 -5.318539871e-01 5.04 -5.165942706e-01 -5.165942706e-01 5.06 -5.016960412e-01 -5.016960412e-01 5.08 -4.871455464e-01 -4.871455464e-01 5.10 -4.729294810e-01 -4.729294810e-01 5.12 -4.590350101e-01 -4.590350101e-01 5.14 -4.454498106e-01 -4.454498106e-01 5.16 -4.321621311e-01 -4.321621311e-01 5.18 -4.191608680e-01 -4.191608680e-01 5.20 -4.064356595e-01 -4.064356595e-01 5.22 -3.939769955e-01 -3.939769955e-01 5.24 -3.817763425e-01 -3.817763425e-01 5.26 -3.698262821e-01 -3.698262821e-01 5.28 -3.581206592e-01 -3.581206592e-01 5.30 -3.466547339e-01 -3.466547339e-01 5.32 -3.354253272e-01 -3.354253272e-01 5.34 -3.244309465e-01 -3.244309465e-01 5.36 -3.136718721e-01 -3.136718721e-01 5.38 -3.031501831e-01 -3.031501831e-01 5.40 -2.928696990e-01 -2.928696990e-01 5.42 -2.828358163e-01 -2.828358163e-01 5.44 -2.730552272e-01 -2.730552272e-01 5.46 -2.635355164e-01 -2.635355164e-01 5.48 -2.542846509e-01 -2.542846509e-01 5.50 -2.453103922e-01 -2.453103922e-01 5.52 -2.366196725e-01 -2.366196725e-01 5.54 -2.282179918e-01 -2.282179918e-01 5.56 -2.201088866e-01 -2.201088866e-01 5.58 -2.122935207e-01 -2.122935207e-01 5.60 -2.047704303e-01 -2.047704303e-01 5.62 -1.975354384e-01 -1.975354384e-01 5.64 -1.905817335e-01 -1.905817335e-01 5.66 -1.839000908e-01 -1.839000908e-01 5.68 -1.774792017e-01 -1.774792017e-01 5.70 -1.713060728e-01 -1.713060728e-01 5.72 -1.653664540e-01 -1.653664540e-01 5.74 -1.596452647e-01 -1.596452647e-01 5.76 -1.541269878e-01 -1.541269878e-01 5.78 -1.487960192e-01 -1.487960192e-01 5.80 -1.436369602e-01 -1.436369602e-01 5.82 -1.386348533e-01 -1.386348533e-01 5.84 -1.337753636e-01 -1.337753636e-01 5.86 -1.290449131e-01 -1.290449131e-01 5.88 -1.244307747e-01 -1.244307747e-01 5.90 -1.199211366e-01 -1.199211366e-01 5.92 -1.155051441e-01 -1.155051441e-01 5.94 -1.111729251e-01 -1.111729251e-01 5.96 -1.069156069e-01 -1.069156069e-01 5.98 -1.027252275e-01 -1.027252275e-01 6.00 -9.859492437e-02 -9.859492437e-02