# 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 = Mg2TiZr # 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 4.130699216e+02 4.130699216e+02 1.30 3.836415483e+02 3.836415483e+02 1.32 3.563752985e+02 3.563752985e+02 1.34 3.310985412e+02 3.310985412e+02 1.36 3.076543262e+02 3.076543262e+02 1.38 2.859004855e+02 2.859004855e+02 1.40 2.657077266e+02 2.657077266e+02 1.42 2.469571442e+02 2.469571442e+02 1.44 2.295385874e+02 2.295385874e+02 1.46 2.133504861e+02 2.133504861e+02 1.48 1.983001035e+02 1.983001035e+02 1.50 1.843029930e+02 1.843029930e+02 1.52 1.712817564e+02 1.712817564e+02 1.54 1.591649021e+02 1.591649021e+02 1.56 1.478863698e+02 1.478863698e+02 1.58 1.373855678e+02 1.373855678e+02 1.60 1.276072087e+02 1.276072087e+02 1.62 1.185006720e+02 1.185006720e+02 1.64 1.100191673e+02 1.100191673e+02 1.66 1.021190474e+02 1.021190474e+02 1.68 9.475939032e+01 9.475939032e+01 1.70 8.790193336e+01 8.790193336e+01 1.72 8.151114272e+01 8.151114272e+01 1.74 7.555430384e+01 7.555430384e+01 1.76 7.000142873e+01 7.000142873e+01 1.78 6.482519797e+01 6.482519797e+01 1.80 6.000060247e+01 6.000060247e+01 1.82 5.550403027e+01 5.550403027e+01 1.84 5.131316469e+01 5.131316469e+01 1.86 4.740687262e+01 4.740687262e+01 1.88 4.376524517e+01 4.376524517e+01 1.90 4.037012246e+01 4.037012246e+01 1.92 3.720478034e+01 3.720478034e+01 1.94 3.425380067e+01 3.425380067e+01 1.96 3.150289341e+01 3.150289341e+01 1.98 2.893880039e+01 2.893880039e+01 2.00 2.654923219e+01 2.654923219e+01 2.02 2.432278209e+01 2.432278209e+01 2.04 2.224881353e+01 2.224881353e+01 2.06 2.031734727e+01 2.031734727e+01 2.08 1.851897492e+01 1.851897492e+01 2.10 1.684482032e+01 1.684482032e+01 2.12 1.528654628e+01 1.528654628e+01 2.14 1.383636954e+01 1.383636954e+01 2.16 1.248708227e+01 1.248708227e+01 2.18 1.123202988e+01 1.123202988e+01 2.20 1.006505701e+01 1.006505701e+01 2.22 8.980415470e+00 8.980415470e+00 2.24 7.972690820e+00 7.972690820e+00 2.26 7.036765476e+00 7.036765476e+00 2.28 6.167807755e+00 6.167807755e+00 2.30 5.361309653e+00 5.361309653e+00 2.32 4.613073801e+00 4.613073801e+00 2.34 3.919246292e+00 3.919246292e+00 2.36 3.276277754e+00 3.276277754e+00 2.38 2.680895726e+00 2.680895726e+00 2.40 2.130060878e+00 2.130060878e+00 2.42 1.620915880e+00 1.620915880e+00 2.44 1.150750054e+00 1.150750054e+00 2.46 7.169681480e-01 7.169681480e-01 2.48 3.170818209e-01 3.170818209e-01 2.50 -5.128470944e-02 -5.128470944e-02 2.52 -3.904169497e-01 -3.904169497e-01 2.54 -7.024375697e-01 -7.024375697e-01 2.56 -9.892111410e-01 -9.892111410e-01 2.58 -1.252451408e+00 -1.252451408e+00 2.60 -1.493725644e+00 -1.493725644e+00 2.62 -1.714466125e+00 -1.714466125e+00 2.64 -1.916002556e+00 -1.916002556e+00 2.66 -2.099564869e+00 -2.099564869e+00 2.68 -2.266260130e+00 -2.266260130e+00 2.70 -2.417038520e+00 -2.417038520e+00 2.72 -2.552816014e+00 -2.552816014e+00 2.74 -2.674425543e+00 -2.674425543e+00 2.76 -2.782691704e+00 -2.782691704e+00 2.78 -2.878421567e+00 -2.878421567e+00 2.80 -2.962404404e+00 -2.962404404e+00 2.82 -3.035391944e+00 -3.035391944e+00 2.84 -3.098105215e+00 -3.098105215e+00 2.86 -3.151231147e+00 -3.151231147e+00 2.88 -3.195380384e+00 -3.195380384e+00 2.90 -3.231083472e+00 -3.231083472e+00 2.92 -3.258862575e+00 -3.258862575e+00 2.94 -3.279235026e+00 -3.279235026e+00 2.96 -3.292710806e+00 -3.292710806e+00 2.98 -3.299789897e+00 -3.299789897e+00 3.00 -3.300959637e+00 -3.300959637e+00 3.02 -3.296691828e+00 -3.296691828e+00 3.04 -3.287436914e+00 -3.287436914e+00 3.06 -3.273629995e+00 -3.273629995e+00 3.08 -3.255671292e+00 -3.255671292e+00 3.10 -3.233935447e+00 -3.233935447e+00 3.12 -3.208766473e+00 -3.208766473e+00 3.14 -3.180490253e+00 -3.180490253e+00 3.16 -3.149403089e+00 -3.149403089e+00 3.18 -3.115787437e+00 -3.115787437e+00 3.20 -3.079912695e+00 -3.079912695e+00 3.22 -3.042038102e+00 -3.042038102e+00 3.24 -3.002414746e+00 -3.002414746e+00 3.26 -2.961286717e+00 -2.961286717e+00 3.28 -2.918891102e+00 -2.918891102e+00 3.30 -2.875456335e+00 -2.875456335e+00 3.32 -2.831198676e+00 -2.831198676e+00 3.34 -2.786317302e+00 -2.786317302e+00 3.36 -2.740989234e+00 -2.740989234e+00 3.38 -2.695365673e+00 -2.695365673e+00 3.40 -2.649569843e+00 -2.649569843e+00 3.42 -2.603703675e+00 -2.603703675e+00 3.44 -2.557844748e+00 -2.557844748e+00 3.46 -2.512057444e+00 -2.512057444e+00 3.48 -2.466397428e+00 -2.466397428e+00 3.50 -2.420916640e+00 -2.420916640e+00 3.52 -2.375666640e+00 -2.375666640e+00 3.54 -2.330700038e+00 -2.330700038e+00 3.56 -2.286070051e+00 -2.286070051e+00 3.58 -2.241828605e+00 -2.241828605e+00 3.60 -2.198023622e+00 -2.198023622e+00 3.62 -2.154702203e+00 -2.154702203e+00 3.64 -2.111921338e+00 -2.111921338e+00 3.66 -2.069685838e+00 -2.069685838e+00 3.68 -2.027989588e+00 -2.027989588e+00 3.70 -1.986823183e+00 -1.986823183e+00 3.72 -1.946175985e+00 -1.946175985e+00 3.74 -1.906038709e+00 -1.906038709e+00 3.76 -1.866406136e+00 -1.866406136e+00 3.78 -1.827279580e+00 -1.827279580e+00 3.80 -1.788668798e+00 -1.788668798e+00 3.82 -1.750590276e+00 -1.750590276e+00 3.84 -1.713044988e+00 -1.713044988e+00 3.86 -1.676031387e+00 -1.676031387e+00 3.88 -1.639560485e+00 -1.639560485e+00 3.90 -1.603651481e+00 -1.603651481e+00 3.92 -1.568325258e+00 -1.568325258e+00 3.94 -1.533607019e+00 -1.533607019e+00 3.96 -1.499511345e+00 -1.499511345e+00 3.98 -1.466047871e+00 -1.466047871e+00 4.00 -1.433218307e+00 -1.433218307e+00 4.02 -1.401016865e+00 -1.401016865e+00 4.04 -1.369431607e+00 -1.369431607e+00 4.06 -1.338446272e+00 -1.338446272e+00 4.08 -1.308042164e+00 -1.308042164e+00 4.10 -1.278196396e+00 -1.278196396e+00 4.12 -1.248897642e+00 -1.248897642e+00 4.14 -1.220124321e+00 -1.220124321e+00 4.16 -1.191861093e+00 -1.191861093e+00 4.18 -1.164094836e+00 -1.164094836e+00 4.20 -1.136814637e+00 -1.136814637e+00 4.22 -1.110011620e+00 -1.110011620e+00 4.24 -1.083678685e+00 -1.083678685e+00 4.26 -1.057810214e+00 -1.057810214e+00 4.28 -1.032401759e+00 -1.032401759e+00 4.30 -1.007449762e+00 -1.007449762e+00 4.32 -9.829512878e-01 -9.829512878e-01 4.34 -9.589038051e-01 -9.589038051e-01 4.36 -9.353049920e-01 -9.353049920e-01 4.38 -9.121525775e-01 -9.121525775e-01 4.40 -8.894442087e-01 -8.894442087e-01 4.42 -8.671773411e-01 -8.671773411e-01 4.44 -8.453491457e-01 -8.453491457e-01 4.46 -8.239564325e-01 -8.239564325e-01 4.48 -8.029955849e-01 -8.029955849e-01 4.50 -7.824625076e-01 -7.824625076e-01 4.52 -7.623525853e-01 -7.623525853e-01 4.54 -7.426606546e-01 -7.426606546e-01 4.56 -7.233809900e-01 -7.233809900e-01 4.58 -7.045073056e-01 -7.045073056e-01 4.60 -6.860327729e-01 -6.860327729e-01 4.62 -6.679500572e-01 -6.679500572e-01 4.64 -6.502513715e-01 -6.502513715e-01 4.66 -6.329285477e-01 -6.329285477e-01 4.68 -6.159731243e-01 -6.159731243e-01 4.70 -5.993764493e-01 -5.993764493e-01 4.72 -5.831297940e-01 -5.831297940e-01 4.74 -5.672244773e-01 -5.672244773e-01 4.76 -5.516519963e-01 -5.516519963e-01 4.78 -5.364041615e-01 -5.364041615e-01 4.80 -5.214697693e-01 -5.214697693e-01 4.82 -5.068491795e-01 -5.068491795e-01 4.84 -4.925317992e-01 -4.925317992e-01 4.86 -4.785120444e-01 -4.785120444e-01 4.88 -4.647852693e-01 -4.647852693e-01 4.90 -4.513478454e-01 -4.513478454e-01 4.92 -4.381972007e-01 -4.381972007e-01 4.94 -4.253318049e-01 -4.253318049e-01 4.96 -4.127510873e-01 -4.127510873e-01 4.98 -4.004552762e-01 -4.004552762e-01 5.00 -3.884451581e-01 -3.884451581e-01 5.02 -3.767217625e-01 -3.767217625e-01 5.04 -3.652859931e-01 -3.652859931e-01 5.06 -3.541382358e-01 -3.541382358e-01 5.08 -3.432779822e-01 -3.432779822e-01 5.10 -3.327035082e-01 -3.327035082e-01 5.12 -3.224116433e-01 -3.224116433e-01 5.14 -3.123976547e-01 -3.123976547e-01 5.16 -3.026552550e-01 -3.026552550e-01 5.18 -2.931767294e-01 -2.931767294e-01 5.20 -2.839531634e-01 -2.839531634e-01 5.22 -2.749747469e-01 -2.749747469e-01 5.24 -2.662311246e-01 -2.662311246e-01 5.26 -2.577117678e-01 -2.577117678e-01 5.28 -2.494063405e-01 -2.494063405e-01 5.30 -2.413050426e-01 -2.413050426e-01 5.32 -2.333989129e-01 -2.333989129e-01 5.34 -2.256800794e-01 -2.256800794e-01 5.36 -2.181419462e-01 -2.181419462e-01 5.38 -2.107793053e-01 -2.107793053e-01 5.40 -2.035883673e-01 -2.035883673e-01 5.42 -1.965667041e-01 -1.965667041e-01 5.44 -1.897131038e-01 -1.897131038e-01 5.46 -1.830273456e-01 -1.830273456e-01 5.48 -1.765099085e-01 -1.765099085e-01 5.50 -1.701616380e-01 -1.701616380e-01 5.52 -1.639834022e-01 -1.639834022e-01 5.54 -1.579757688e-01 -1.579757688e-01 5.56 -1.521387390e-01 -1.521387390e-01 5.58 -1.464715613e-01 -1.464715613e-01 5.60 -1.409726437e-01 -1.409726437e-01 5.62 -1.356395674e-01 -1.356395674e-01 5.64 -1.304691910e-01 -1.304691910e-01 5.66 -1.254578256e-01 -1.254578256e-01 5.68 -1.206014521e-01 -1.206014521e-01 5.70 -1.158959477e-01 -1.158959477e-01 5.72 -1.113372920e-01 -1.113372920e-01 5.74 -1.069217253e-01 -1.069217253e-01 5.76 -1.026458257e-01 -1.026458257e-01 5.78 -9.850654380e-02 -9.850654380e-02 5.80 -9.450116075e-02 -9.450116075e-02 5.82 -9.062715088e-02 -9.062715088e-02 5.84 -8.688201742e-02 -8.688201742e-02 5.86 -8.326307499e-02 -8.326307499e-02 5.88 -7.976730536e-02 -7.976730536e-02 5.90 -7.639123877e-02 -7.639123877e-02 5.92 -7.313079103e-02 -7.313079103e-02 5.94 -6.998121032e-02 -6.998121032e-02 5.96 -6.693708591e-02 -6.693708591e-02 5.98 -6.399241729e-02 -6.399241729e-02 6.00 -6.114073665e-02 -6.114073665e-02