# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Ward-D-K-Zhou-X-Wong-B-M-Doty-F-P--Cd-Te-Zn # implementation = 2013--Ward-D-K--Cd-Te-Zn--LAMMPS--ipr1 # composition = CdTeZn2 # 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 1.478316632e+01 1.478316632e+01 2.02 1.360611878e+01 1.360611878e+01 2.04 1.250200101e+01 1.250200101e+01 2.06 1.146652848e+01 1.146652848e+01 2.08 1.049555412e+01 1.049555412e+01 2.10 9.585028521e+00 9.585028521e+00 2.12 8.731088853e+00 8.731088853e+00 2.14 7.930335347e+00 7.930335347e+00 2.16 7.180359329e+00 7.180359329e+00 2.18 6.478344443e+00 6.478344443e+00 2.20 5.823359224e+00 5.823359224e+00 2.22 5.212978411e+00 5.212978411e+00 2.24 4.644817412e+00 4.644817412e+00 2.26 4.116428496e+00 4.116428496e+00 2.28 3.625328041e+00 3.625328041e+00 2.30 3.169282734e+00 3.169282734e+00 2.32 2.745773088e+00 2.745773088e+00 2.34 2.353090824e+00 2.353090824e+00 2.36 1.989215243e+00 1.989215243e+00 2.38 1.652436885e+00 1.652436885e+00 2.40 1.340980496e+00 1.340980496e+00 2.42 1.053149374e+00 1.053149374e+00 2.44 7.875050526e-01 7.875050526e-01 2.46 5.428191931e-01 5.428191931e-01 2.48 3.179273680e-01 3.179273680e-01 2.50 1.117238852e-01 1.117238852e-01 2.52 -7.684402185e-02 -7.684402185e-02 2.54 -2.487831813e-01 -2.487831813e-01 2.56 -4.050630827e-01 -4.050630827e-01 2.58 -5.466276812e-01 -5.466276812e-01 2.60 -6.744111060e-01 -6.744111060e-01 2.62 -7.892828752e-01 -7.892828752e-01 2.64 -8.923794547e-01 -8.923794547e-01 2.66 -9.844639146e-01 -9.844639146e-01 2.68 -1.066419724e+00 -1.066419724e+00 2.70 -1.139004734e+00 -1.139004734e+00 2.72 -1.202768115e+00 -1.202768115e+00 2.74 -1.258444385e+00 -1.258444385e+00 2.76 -1.306186768e+00 -1.306186768e+00 2.78 -1.346554493e+00 -1.346554493e+00 2.80 -1.380055844e+00 -1.380055844e+00 2.82 -1.407173480e+00 -1.407173480e+00 2.84 -1.428365249e+00 -1.428365249e+00 2.86 -1.444064901e+00 -1.444064901e+00 2.88 -1.454682795e+00 -1.454682795e+00 2.90 -1.460606534e+00 -1.460606534e+00 2.92 -1.462201565e+00 -1.462201565e+00 2.94 -1.459811802e+00 -1.459811802e+00 2.96 -1.453760174e+00 -1.453760174e+00 2.98 -1.444349302e+00 -1.444349302e+00 3.00 -1.431862266e+00 -1.431862266e+00 3.02 -1.416563578e+00 -1.416563578e+00 3.04 -1.398700560e+00 -1.398700560e+00 3.06 -1.378505294e+00 -1.378505294e+00 3.08 -1.356197373e+00 -1.356197373e+00 3.10 -1.331987764e+00 -1.331987764e+00 3.12 -1.306083913e+00 -1.306083913e+00 3.14 -1.278696030e+00 -1.278696030e+00 3.16 -1.250043856e+00 -1.250043856e+00 3.18 -1.220362201e+00 -1.220362201e+00 3.20 -1.189902250e+00 -1.189902250e+00 3.22 -1.158924510e+00 -1.158924510e+00 3.24 -1.127680056e+00 -1.127680056e+00 3.26 -1.096381095e+00 -1.096381095e+00 3.28 -1.065170219e+00 -1.065170219e+00 3.30 -1.034105776e+00 -1.034105776e+00 3.32 -1.003178235e+00 -1.003178235e+00 3.34 -9.723534960e-01 -9.723534960e-01 3.36 -9.415864026e-01 -9.415864026e-01 3.38 -9.109863625e-01 -9.109863625e-01 3.40 -8.805111872e-01 -8.805111872e-01 3.42 -8.502233586e-01 -8.502233586e-01 3.44 -8.201692267e-01 -8.201692267e-01 3.46 -7.903890669e-01 -7.903890669e-01 3.48 -7.609174343e-01 -7.609174343e-01 3.50 -7.317835200e-01 -7.317835200e-01 3.52 -7.030115295e-01 -7.030115295e-01 3.54 -6.746210834e-01 -6.746210834e-01 3.56 -6.466276307e-01 -6.466276307e-01 3.58 -6.190429070e-01 -6.190429070e-01 3.60 -5.918754108e-01 -5.918754108e-01 3.62 -5.651309340e-01 -5.651309340e-01 3.64 -5.388130965e-01 -5.388130965e-01 3.66 -5.129239626e-01 -5.129239626e-01 3.68 -4.874646550e-01 -4.874646550e-01 3.70 -4.624360242e-01 -4.624360242e-01 3.72 -4.378393480e-01 -4.378393480e-01 3.74 -4.136770524e-01 -4.136770524e-01 3.76 -3.899534509e-01 -3.899534509e-01 3.78 -3.666753895e-01 -3.666753895e-01 3.80 -3.438527616e-01 -3.438527616e-01 3.82 -3.214986846e-01 -3.214986846e-01 3.84 -2.996292219e-01 -2.996292219e-01 3.86 -2.782625915e-01 -2.782625915e-01 3.88 -2.574180448e-01 -2.574180448e-01 3.90 -2.371149393e-01 -2.371149393e-01 3.92 -2.173727168e-01 -2.173727168e-01 3.94 -1.982124383e-01 -1.982124383e-01 3.96 -1.796599949e-01 -1.796599949e-01 3.98 -1.617228870e-01 -1.617228870e-01 4.00 -1.445257258e-01 -1.445257258e-01 4.02 -1.280640873e-01 -1.280640873e-01 4.04 -1.124364167e-01 -1.124364167e-01 4.06 -9.770207446e-02 -9.770207446e-02 4.08 -8.393611845e-02 -8.393611845e-02 4.10 -7.120130751e-02 -7.120130751e-02 4.12 -5.921276731e-02 -5.921276731e-02 4.14 -4.887310703e-02 -4.887310703e-02 4.16 -3.946693026e-02 -3.946693026e-02 4.18 -3.104659357e-02 -3.104659357e-02 4.20 -2.363291207e-02 -2.363291207e-02 4.22 -1.721904478e-02 -1.721904478e-02 4.24 -1.178467940e-02 -1.178467940e-02 4.26 -7.332572486e-03 -7.332572486e-03 4.28 -3.940167242e-03 -3.940167242e-03 4.30 -1.711749255e-03 -1.711749255e-03 4.32 2.873196014e-05 2.873196014e-05 4.34 1.282685476e-05 1.282685476e-05 4.36 2.939921649e-06 2.939921649e-06 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 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