# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Zhou-X-W-Ward-D-K-Martin-J-E-et-al--Zn-Cd-Hg-S-Se-Te # implementation = SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_002 # composition = Cd2TeZn # 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 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 1.509504958e+04 1.509504958e+04 0.96 1.329851002e+04 1.329851002e+04 0.98 1.174386703e+04 1.174386703e+04 1.00 1.039363555e+04 1.039363555e+04 1.02 9.220096540e+03 9.220096540e+03 1.04 8.198834835e+03 8.198834835e+03 1.06 7.306613055e+03 7.306613055e+03 1.08 6.523062454e+03 6.523062454e+03 1.10 5.832551897e+03 5.832551897e+03 1.12 5.222450810e+03 5.222450810e+03 1.14 4.681457017e+03 4.681457017e+03 1.16 4.199575999e+03 4.199575999e+03 1.18 3.768575215e+03 3.768575215e+03 1.20 3.382888146e+03 3.382888146e+03 1.22 3.039048430e+03 3.039048430e+03 1.24 2.733888548e+03 2.733888548e+03 1.26 2.463783692e+03 2.463783692e+03 1.28 2.224834068e+03 2.224834068e+03 1.30 2.013219366e+03 2.013219366e+03 1.32 1.825407058e+03 1.825407058e+03 1.34 1.658309374e+03 1.658309374e+03 1.36 1.509488405e+03 1.509488405e+03 1.38 1.377013920e+03 1.377013920e+03 1.40 1.259023157e+03 1.259023157e+03 1.42 1.153568846e+03 1.153568846e+03 1.44 1.058797981e+03 1.058797981e+03 1.46 9.731542155e+02 9.731542155e+02 1.48 8.953892748e+02 8.953892748e+02 1.50 8.244257119e+02 8.244257119e+02 1.52 7.593014184e+02 7.593014184e+02 1.54 6.991965973e+02 6.991965973e+02 1.56 6.434495133e+02 6.434495133e+02 1.58 5.915373831e+02 5.915373831e+02 1.60 5.430723612e+02 5.430723612e+02 1.62 4.978178879e+02 4.978178879e+02 1.64 4.556589211e+02 4.556589211e+02 1.66 4.165293855e+02 4.165293855e+02 1.68 3.803653484e+02 3.803653484e+02 1.70 3.470908438e+02 3.470908438e+02 1.72 3.166114491e+02 3.166114491e+02 1.74 2.888114208e+02 2.888114208e+02 1.76 2.635535857e+02 2.635535857e+02 1.78 2.406812494e+02 2.406812494e+02 1.80 2.200226217e+02 2.200226217e+02 1.82 2.013983070e+02 2.013983070e+02 1.84 1.846314517e+02 1.846314517e+02 1.86 1.695580108e+02 1.695580108e+02 1.88 1.560320845e+02 1.560320845e+02 1.90 1.439220277e+02 1.439220277e+02 1.92 1.331004448e+02 1.331004448e+02 1.94 1.234370782e+02 1.234370782e+02 1.96 1.147978022e+02 1.147978022e+02 1.98 1.070478892e+02 1.070478892e+02 2.00 1.000576593e+02 1.000576593e+02 2.02 9.370763965e+01 9.370763965e+01 2.04 8.789088322e+01 8.789088322e+01 2.06 8.251341298e+01 8.251341298e+01 2.08 7.749652918e+01 7.749652918e+01 2.10 7.278119155e+01 7.278119155e+01 2.12 6.832957174e+01 6.832957174e+01 2.14 6.412052358e+01 6.412052358e+01 2.16 6.014111601e+01 6.014111601e+01 2.18 5.638003703e+01 5.638003703e+01 2.20 5.282550376e+01 5.282550376e+01 2.22 4.946527640e+01 4.946527640e+01 2.24 4.628698447e+01 4.628698447e+01 2.26 4.327854767e+01 4.327854767e+01 2.28 4.042866071e+01 4.042866071e+01 2.30 3.772726652e+01 3.772726652e+01 2.32 3.516589920e+01 3.516589920e+01 2.34 3.273776125e+01 3.273776125e+01 2.36 3.043745034e+01 3.043745034e+01 2.38 2.826039557e+01 2.826039557e+01 2.40 2.620224112e+01 2.620224112e+01 2.42 2.425844918e+01 2.425844918e+01 2.44 2.242418493e+01 2.242418493e+01 2.46 2.069433770e+01 2.069433770e+01 2.48 1.906357058e+01 1.906357058e+01 2.50 1.752638903e+01 1.752638903e+01 2.52 1.607723501e+01 1.607723501e+01 2.54 1.471060892e+01 1.471060892e+01 2.56 1.342121783e+01 1.342121783e+01 2.58 1.220414267e+01 1.220414267e+01 2.60 1.105500841e+01 1.105500841e+01 2.62 9.970130797e+00 9.970130797e+00 2.64 8.946604042e+00 8.946604042e+00 2.66 7.982292745e+00 7.982292745e+00 2.68 7.075706886e+00 7.075706886e+00 2.70 6.225776991e+00 6.225776991e+00 2.72 5.431596545e+00 5.431596545e+00 2.74 4.692223154e+00 4.692223154e+00 2.76 4.006588195e+00 4.006588195e+00 2.78 3.373482193e+00 3.373482193e+00 2.80 2.791555461e+00 2.791555461e+00 2.82 2.259313587e+00 2.259313587e+00 2.84 1.775112126e+00 1.775112126e+00 2.86 1.337153039e+00 1.337153039e+00 2.88 9.434834988e-01 9.434834988e-01 2.90 5.919976025e-01 5.919976025e-01 2.92 2.804415953e-01 2.804415953e-01 2.94 6.423289413e-03 6.423289413e-03 2.96 -2.325735849e-01 -2.325735849e-01 2.98 -4.391693180e-01 -4.391693180e-01 3.00 -6.160616892e-01 -6.160616892e-01 3.02 -7.659922999e-01 -7.659922999e-01 3.04 -8.917053388e-01 -8.917053388e-01 3.06 -9.958987988e-01 -9.958987988e-01 3.08 -1.081168917e+00 -1.081168917e+00 3.10 -1.149949790e+00 -1.149949790e+00 3.12 -1.204451793e+00 -1.204451793e+00 3.14 -1.246604610e+00 -1.246604610e+00 3.16 -1.278013044e+00 -1.278013044e+00 3.18 -1.299935696e+00 -1.299935696e+00 3.20 -1.313296506e+00 -1.313296506e+00 3.22 -1.318735154e+00 -1.318735154e+00 3.24 -1.316692430e+00 -1.316692430e+00 3.26 -1.307511974e+00 -1.307511974e+00 3.28 -1.291527442e+00 -1.291527442e+00 3.30 -1.269108249e+00 -1.269108249e+00 3.32 -1.240664533e+00 -1.240664533e+00 3.34 -1.206639967e+00 -1.206639967e+00 3.36 -1.167513034e+00 -1.167513034e+00 3.38 -1.123800181e+00 -1.123800181e+00 3.40 -1.076051580e+00 -1.076051580e+00 3.42 -1.024841209e+00 -1.024841209e+00 3.44 -9.707568386e-01 -9.707568386e-01 3.46 -9.143929198e-01 -9.143929198e-01 3.48 -8.563454382e-01 -8.563454382e-01 3.50 -7.972070080e-01 -7.972070080e-01 3.52 -7.375615408e-01 -7.375615408e-01 3.54 -6.779784445e-01 -6.779784445e-01 3.56 -6.190064090e-01 -6.190064090e-01 3.58 -5.611668714e-01 -5.611668714e-01 3.60 -5.049472835e-01 -5.049472835e-01 3.62 -4.507943425e-01 -4.507943425e-01 3.64 -3.991073916e-01 -3.991073916e-01 3.66 -3.502322435e-01 -3.502322435e-01 3.68 -3.044557334e-01 -3.044557334e-01 3.70 -2.620013626e-01 -2.620013626e-01 3.72 -2.230264369e-01 -2.230264369e-01 3.74 -1.876211262e-01 -1.876211262e-01 3.76 -1.558098456e-01 -1.558098456e-01 3.78 -1.275552449e-01 -1.275552449e-01 3.80 -1.027648452e-01 -1.027648452e-01 3.82 -8.129993727e-02 -8.129993727e-02 3.84 -6.298575506e-02 -6.298575506e-02 3.86 -4.762126980e-02 -4.762126980e-02 3.88 -3.498651689e-02 -3.498651689e-02 3.90 -2.484569010e-02 -2.484569010e-02 3.92 -1.694581811e-02 -1.694581811e-02 3.94 -1.101353534e-02 -1.101353534e-02 3.96 -6.754701954e-03 -6.754701954e-03 3.98 -3.860984306e-03 -3.860984306e-03 4.00 -2.023700462e-03 -2.023700462e-03 4.02 -9.517794026e-04 -9.517794026e-04 4.04 -3.899597531e-04 -3.899597531e-04 4.06 -1.335347487e-04 -1.335347487e-04 4.08 -3.599431168e-05 -3.599431168e-05 4.10 -6.980082890e-06 -6.980082890e-06 4.12 -8.452617958e-07 -8.452617958e-07 4.14 -5.046547833e-08 -5.046547833e-08 4.16 -9.699529784e-10 -9.699529784e-10 4.18 -2.552363843e-12 -2.552363843e-12 4.20 -1.239681094e-16 -1.239681094e-16 4.22 -2.598250091e-25 -2.598250091e-25 4.24 -9.240118280e-52 -9.240118280e-52 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 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