# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Zhou-X-W-Foster-M-E-van-Swol-F-B-et-al--Cd-Te-Se # implementation = 2014--Zhou-X-W--Cd-Te-Se--LAMMPS--ipr1 # composition = CdSe2Te # 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 2022-05-24 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 2.00 2.940635077e+01 2.940635077e+01 2.02 2.746297306e+01 2.746297306e+01 2.04 2.563569214e+01 2.563569214e+01 2.06 2.391802158e+01 2.391802158e+01 2.08 2.230387577e+01 2.230387577e+01 2.10 2.078750251e+01 2.078750251e+01 2.12 1.936342461e+01 1.936342461e+01 2.14 1.802608312e+01 1.802608312e+01 2.16 1.676991673e+01 1.676991673e+01 2.18 1.558844643e+01 1.558844643e+01 2.20 1.447449831e+01 1.447449831e+01 2.22 1.342086711e+01 1.342086711e+01 2.24 1.242159522e+01 1.242159522e+01 2.26 1.147325623e+01 1.147325623e+01 2.28 1.057421594e+01 1.057421594e+01 2.30 9.725367880e+00 9.725367880e+00 2.32 8.926123474e+00 8.926123474e+00 2.34 8.173921571e+00 8.173921571e+00 2.36 7.466590025e+00 7.466590025e+00 2.38 6.801780116e+00 6.801780116e+00 2.40 6.177232712e+00 6.177232712e+00 2.42 5.590825918e+00 5.590825918e+00 2.44 5.040560953e+00 5.040560953e+00 2.46 4.524554648e+00 4.524554648e+00 2.48 4.041063090e+00 4.041063090e+00 2.50 3.588502169e+00 3.588502169e+00 2.52 3.165451215e+00 3.165451215e+00 2.54 2.770602134e+00 2.770602134e+00 2.56 2.402635381e+00 2.402635381e+00 2.58 2.060081339e+00 2.060081339e+00 2.60 1.741314575e+00 1.741314575e+00 2.62 1.444793703e+00 1.444793703e+00 2.64 1.168701404e+00 1.168701404e+00 2.66 9.119642456e-01 9.119642456e-01 2.68 6.734953251e-01 6.734953251e-01 2.70 4.522824350e-01 4.522824350e-01 2.72 2.474441060e-01 2.474441060e-01 2.74 5.792352125e-02 5.792352125e-02 2.76 -1.168651406e-01 -1.168651406e-01 2.78 -2.777663553e-01 -2.777663553e-01 2.80 -4.255488756e-01 -4.255488756e-01 2.82 -5.609463955e-01 -5.609463955e-01 2.84 -6.846589618e-01 -6.846589618e-01 2.86 -7.973543564e-01 -7.973543564e-01 2.88 -8.996694222e-01 -8.996694222e-01 2.90 -9.922112540e-01 -9.922112540e-01 2.92 -1.075558453e+00 -1.075558453e+00 2.94 -1.150262336e+00 -1.150262336e+00 2.96 -1.216847911e+00 -1.216847911e+00 2.98 -1.275815079e+00 -1.275815079e+00 3.00 -1.327639575e+00 -1.327639575e+00 3.02 -1.372773998e+00 -1.372773998e+00 3.04 -1.411648754e+00 -1.411648754e+00 3.06 -1.444672943e+00 -1.444672943e+00 3.08 -1.472235262e+00 -1.472235262e+00 3.10 -1.494704918e+00 -1.494704918e+00 3.12 -1.512432350e+00 -1.512432350e+00 3.14 -1.525750169e+00 -1.525750169e+00 3.16 -1.534973910e+00 -1.534973910e+00 3.18 -1.540402862e+00 -1.540402862e+00 3.20 -1.542320944e+00 -1.542320944e+00 3.22 -1.540997545e+00 -1.540997545e+00 3.24 -1.536688527e+00 -1.536688527e+00 3.26 -1.529637278e+00 -1.529637278e+00 3.28 -1.520075903e+00 -1.520075903e+00 3.30 -1.508226665e+00 -1.508226665e+00 3.32 -1.494303616e+00 -1.494303616e+00 3.34 -1.478514443e+00 -1.478514443e+00 3.36 -1.461062577e+00 -1.461062577e+00 3.38 -1.442149212e+00 -1.442149212e+00 3.40 -1.421975014e+00 -1.421975014e+00 3.42 -1.400740649e+00 -1.400740649e+00 3.44 -1.378645083e+00 -1.378645083e+00 3.46 -1.355880011e+00 -1.355880011e+00 3.48 -1.332618756e+00 -1.332618756e+00 3.50 -1.308998566e+00 -1.308998566e+00 3.52 -1.285097517e+00 -1.285097517e+00 3.54 -1.260911316e+00 -1.260911316e+00 3.56 -1.236340635e+00 -1.236340635e+00 3.58 -1.211203028e+00 -1.211203028e+00 3.60 -1.185279370e+00 -1.185279370e+00 3.62 -1.158389675e+00 -1.158389675e+00 3.64 -1.130470623e+00 -1.130470623e+00 3.66 -1.101614046e+00 -1.101614046e+00 3.68 -1.072036063e+00 -1.072036063e+00 3.70 -1.041752468e+00 -1.041752468e+00 3.72 -1.011392924e+00 -1.011392924e+00 3.74 -9.810427406e-01 -9.810427406e-01 3.76 -9.506881214e-01 -9.506881214e-01 3.78 -9.203009699e-01 -9.203009699e-01 3.80 -8.898378865e-01 -8.898378865e-01 3.82 -8.592398049e-01 -8.592398049e-01 3.84 -8.284325437e-01 -8.284325437e-01 3.86 -7.973286381e-01 -7.973286381e-01 3.88 -7.658305891e-01 -7.658305891e-01 3.90 -7.338355027e-01 -7.338355027e-01 3.92 -7.012407729e-01 -7.012407729e-01 3.94 -6.679501857e-01 -6.679501857e-01 3.96 -6.338799284e-01 -6.338799284e-01 3.98 -5.989565339e-01 -5.989565339e-01 4.00 -5.631597340e-01 -5.631597340e-01 4.02 -5.264596960e-01 -5.264596960e-01 4.04 -4.888383449e-01 -4.888383449e-01 4.06 -4.504459422e-01 -4.504459422e-01 4.08 -4.114592160e-01 -4.114592160e-01 4.10 -3.721272599e-01 -3.721272599e-01 4.12 -3.328282274e-01 -3.328282274e-01 4.14 -2.940822032e-01 -2.940822032e-01 4.16 -2.565432876e-01 -2.565432876e-01 4.18 -2.209555394e-01 -2.209555394e-01 4.20 -1.880628026e-01 -1.880628026e-01 4.22 -1.584865854e-01 -1.584865854e-01 4.24 -1.326198622e-01 -1.326198622e-01 4.26 -1.105798232e-01 -1.105798232e-01 4.28 -9.219594199e-02 -9.219594199e-02 4.30 -7.699443328e-02 -7.699443328e-02 4.32 -6.426371897e-02 -6.426371897e-02 4.34 -5.298650104e-02 -5.298650104e-02 4.36 -4.368324952e-02 -4.368324952e-02 4.38 -3.506402983e-02 -3.506402983e-02 4.40 -2.728574795e-02 -2.728574795e-02 4.42 -2.039137722e-02 -2.039137722e-02 4.44 -1.440563816e-02 -1.440563816e-02 4.46 -9.358916216e-03 -9.358916216e-03 4.48 -5.340587285e-03 -5.340587285e-03 4.50 -2.507827716e-03 -2.507827716e-03 4.52 4.254819161e-05 4.254819161e-05 4.54 2.360129730e-05 2.360129730e-05 4.56 8.148918400e-06 8.148918400e-06 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00