# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Ward-D-K-Zhou-X-W-Wong-B-M-et-al--Cd-Te-Zn # implementation = 2012--Ward-D-K--Cd-Te-Zn--LAMMPS--ipr1 # composition = CdTe2Zn # 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 3.607272534e+01 3.607272534e+01 2.02 3.374040306e+01 3.374040306e+01 2.04 3.153909707e+01 3.153909707e+01 2.06 2.946163774e+01 2.946163774e+01 2.08 2.750067240e+01 2.750067240e+01 2.10 2.565072263e+01 2.565072263e+01 2.12 2.390563068e+01 2.390563068e+01 2.14 2.225949804e+01 2.225949804e+01 2.16 2.070662936e+01 2.070662936e+01 2.18 1.924157734e+01 1.924157734e+01 2.20 1.785928629e+01 1.785928629e+01 2.22 1.655533830e+01 1.655533830e+01 2.24 1.532528266e+01 1.532528266e+01 2.26 1.416590566e+01 1.416590566e+01 2.28 1.307337695e+01 1.307337695e+01 2.30 1.204422149e+01 1.204422149e+01 2.32 1.107509639e+01 1.107509639e+01 2.34 1.016300048e+01 1.016300048e+01 2.36 9.305073396e+00 9.305073396e+00 2.38 8.498550729e+00 8.498550729e+00 2.40 7.740724483e+00 7.740724483e+00 2.42 7.029076539e+00 7.029076539e+00 2.44 6.361248122e+00 6.361248122e+00 2.46 5.735046591e+00 5.735046591e+00 2.48 5.148394091e+00 5.148394091e+00 2.50 4.599320214e+00 4.599320214e+00 2.52 4.085952246e+00 4.085952246e+00 2.54 3.606501509e+00 3.606501509e+00 2.56 3.159239663e+00 3.159239663e+00 2.58 2.742469381e+00 2.742469381e+00 2.60 2.354505374e+00 2.354505374e+00 2.62 1.993704696e+00 1.993704696e+00 2.64 1.658183592e+00 1.658183592e+00 2.66 1.346418089e+00 1.346418089e+00 2.68 1.056835918e+00 1.056835918e+00 2.70 7.880741384e-01 7.880741384e-01 2.72 5.391311772e-01 5.391311772e-01 2.74 3.086283516e-01 3.086283516e-01 2.76 9.631659098e-02 9.631659098e-02 2.78 -9.884321709e-02 -9.884321709e-02 2.80 -2.777948549e-01 -2.777948549e-01 2.82 -4.414416419e-01 -4.414416419e-01 2.84 -5.906479736e-01 -5.906479736e-01 2.86 -7.262406944e-01 -7.262406944e-01 2.88 -8.490102770e-01 -8.490102770e-01 2.90 -9.597122644e-01 -9.597122644e-01 2.92 -1.059068283e+00 -1.059068283e+00 2.94 -1.147767412e+00 -1.147767412e+00 2.96 -1.226467131e+00 -1.226467131e+00 2.98 -1.295794465e+00 -1.295794465e+00 3.00 -1.356347024e+00 -1.356347024e+00 3.02 -1.408693894e+00 -1.408693894e+00 3.04 -1.453376616e+00 -1.453376616e+00 3.06 -1.490910062e+00 -1.490910062e+00 3.08 -1.521783293e+00 -1.521783293e+00 3.10 -1.546460299e+00 -1.546460299e+00 3.12 -1.565380783e+00 -1.565380783e+00 3.14 -1.578960831e+00 -1.578960831e+00 3.16 -1.587593589e+00 -1.587593589e+00 3.18 -1.591649849e+00 -1.591649849e+00 3.20 -1.591478674e+00 -1.591478674e+00 3.22 -1.587407950e+00 -1.587407950e+00 3.24 -1.579744983e+00 -1.579744983e+00 3.26 -1.568777172e+00 -1.568777172e+00 3.28 -1.554772795e+00 -1.554772795e+00 3.30 -1.537982023e+00 -1.537982023e+00 3.32 -1.518638318e+00 -1.518638318e+00 3.34 -1.496960368e+00 -1.496960368e+00 3.36 -1.473154758e+00 -1.473154758e+00 3.38 -1.447419615e+00 -1.447419615e+00 3.40 -1.419949181e+00 -1.419949181e+00 3.42 -1.390939166e+00 -1.390939166e+00 3.44 -1.360591916e+00 -1.360591916e+00 3.46 -1.329119593e+00 -1.329119593e+00 3.48 -1.296742614e+00 -1.296742614e+00 3.50 -1.263680387e+00 -1.263680387e+00 3.52 -1.230133224e+00 -1.230133224e+00 3.54 -1.196259614e+00 -1.196259614e+00 3.56 -1.161557869e+00 -1.161557869e+00 3.58 -1.127720312e+00 -1.127720312e+00 3.60 -1.093472829e+00 -1.093472829e+00 3.62 -1.058964271e+00 -1.058964271e+00 3.64 -1.024358391e+00 -1.024358391e+00 3.66 -9.898302509e-01 -9.898302509e-01 3.68 -9.555631679e-01 -9.555631679e-01 3.70 -9.217334351e-01 -9.217334351e-01 3.72 -8.884890158e-01 -8.884890158e-01 3.74 -8.559290068e-01 -8.559290068e-01 3.76 -8.240939194e-01 -8.240939194e-01 3.78 -7.929733908e-01 -7.929733908e-01 3.80 -7.625279602e-01 -7.625279602e-01 3.82 -7.327126534e-01 -7.327126534e-01 3.84 -7.033510343e-01 -7.033510343e-01 3.86 -6.748786527e-01 -6.748786527e-01 3.88 -6.468323360e-01 -6.468323360e-01 3.90 -6.193197402e-01 -6.193197402e-01 3.92 -5.923761241e-01 -5.923761241e-01 3.94 -5.660399791e-01 -5.660399791e-01 3.96 -5.403532433e-01 -5.403532433e-01 3.98 -5.153610734e-01 -5.153610734e-01 4.00 -4.911110696e-01 -4.911110696e-01 4.02 -4.676517958e-01 -4.676517958e-01 4.04 -4.450304658e-01 -4.450304658e-01 4.06 -4.232897938e-01 -4.232897938e-01 4.08 -4.024640814e-01 -4.024640814e-01 4.10 -3.825749040e-01 -3.825749040e-01 4.12 -3.636268920e-01 -3.636268920e-01 4.14 -3.456044264e-01 -3.456044264e-01 4.16 -3.284699960e-01 -3.284699960e-01 4.18 -3.121649851e-01 -3.121649851e-01 4.20 -2.966131938e-01 -2.966131938e-01 4.22 -2.817267872e-01 -2.817267872e-01 4.24 -2.674138417e-01 -2.674138417e-01 4.26 -2.535860838e-01 -2.535860838e-01 4.28 -2.401654068e-01 -2.401654068e-01 4.30 -2.270880399e-01 -2.270880399e-01 4.32 -2.142785484e-01 -2.142785484e-01 4.34 -2.017796897e-01 -2.017796897e-01 4.36 -1.895054944e-01 -1.895054944e-01 4.38 -1.774511629e-01 -1.774511629e-01 4.40 -1.656174134e-01 -1.656174134e-01 4.42 -1.540053673e-01 -1.540053673e-01 4.44 -1.426164738e-01 -1.426164738e-01 4.46 -1.314561514e-01 -1.314561514e-01 4.48 -1.205343860e-01 -1.205343860e-01 4.50 -1.098662888e-01 -1.098662888e-01 4.52 -9.947255310e-02 -9.947255310e-02 4.54 -8.937975204e-02 -8.937975204e-02 4.56 -7.962037918e-02 -7.962037918e-02 4.58 -7.023253839e-02 -7.023253839e-02 4.60 -6.125915991e-02 -6.125915991e-02 4.62 -5.274662982e-02 -5.274662982e-02 4.64 -4.474272817e-02 -4.474272817e-02 4.66 -3.729383420e-02 -3.729383420e-02 4.68 -3.044149241e-02 -3.044149241e-02 4.70 -2.421879232e-02 -2.421879232e-02 4.72 -1.864784542e-02 -1.864784542e-02 4.74 -1.374155312e-02 -1.374155312e-02 4.76 -9.515790208e-03 -9.515790208e-03 4.78 -6.016258527e-03 -6.016258527e-03 4.80 -3.335926862e-03 -3.335926862e-03 4.82 -1.549307744e-03 -1.549307744e-03 4.84 2.551286830e-05 2.551286830e-05 4.86 1.264836415e-05 1.264836415e-05 4.88 4.612652835e-06 4.612652835e-06 4.90 7.593686627e-18 7.598397368e-18 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