# 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 = 2013--Zhou-X-W--Zn-Cd-Hg-S-Se-Te--LAMMPS--ipr1 # 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 1.509504901e+04 1.509504897e+04 0.96 1.329850951e+04 1.329850948e+04 0.98 1.174386659e+04 1.174386656e+04 1.00 1.039363516e+04 1.039363514e+04 1.02 9.220096193e+03 9.220096174e+03 1.04 8.198834531e+03 8.198834513e+03 1.06 7.306612786e+03 7.306612770e+03 1.08 6.523062218e+03 6.523062203e+03 1.10 5.832551686e+03 5.832551672e+03 1.12 5.222450624e+03 5.222450611e+03 1.14 4.681456852e+03 4.681456840e+03 1.16 4.199575858e+03 4.199575849e+03 1.18 3.768575090e+03 3.768575081e+03 1.20 3.382888027e+03 3.382888019e+03 1.22 3.039048324e+03 3.039048316e+03 1.24 2.733888456e+03 2.733888447e+03 1.26 2.463783607e+03 2.463783601e+03 1.28 2.224833993e+03 2.224833987e+03 1.30 2.013219298e+03 2.013219293e+03 1.32 1.825406998e+03 1.825406992e+03 1.34 1.658309319e+03 1.658309314e+03 1.36 1.509488356e+03 1.509488351e+03 1.38 1.377013876e+03 1.377013872e+03 1.40 1.259023117e+03 1.259023113e+03 1.42 1.153568810e+03 1.153568806e+03 1.44 1.058797949e+03 1.058797945e+03 1.46 9.731541843e+02 9.731541812e+02 1.48 8.953892445e+02 8.953892422e+02 1.50 8.244256891e+02 8.244256852e+02 1.52 7.593013964e+02 7.593013935e+02 1.54 6.991965767e+02 6.991965743e+02 1.56 6.434494919e+02 6.434494904e+02 1.58 5.915373664e+02 5.915373650e+02 1.60 5.430723462e+02 5.430723449e+02 1.62 4.978178747e+02 4.978178735e+02 1.64 4.556589094e+02 4.556589083e+02 1.66 4.165293752e+02 4.165293742e+02 1.68 3.803653393e+02 3.803653384e+02 1.70 3.470908359e+02 3.470908351e+02 1.72 3.166114422e+02 3.166114416e+02 1.74 2.888114147e+02 2.888114142e+02 1.76 2.635535800e+02 2.635535795e+02 1.78 2.406812448e+02 2.406812442e+02 1.80 2.200226174e+02 2.200226170e+02 1.82 2.013983039e+02 2.013983037e+02 1.84 1.846314485e+02 1.846314482e+02 1.86 1.695580080e+02 1.695580077e+02 1.88 1.560320823e+02 1.560320821e+02 1.90 1.439220258e+02 1.439220256e+02 1.92 1.331004431e+02 1.331004429e+02 1.94 1.234370766e+02 1.234370764e+02 1.96 1.147978007e+02 1.147978005e+02 1.98 1.070478878e+02 1.070478877e+02 2.00 1.000576580e+02 1.000576578e+02 2.02 9.370763835e+01 9.370763825e+01 2.04 8.789088198e+01 8.789088187e+01 2.06 8.251341178e+01 8.251341167e+01 2.08 7.749652801e+01 7.749652791e+01 2.10 7.278119042e+01 7.278119032e+01 2.12 6.832957064e+01 6.832957054e+01 2.14 6.412052251e+01 6.412052241e+01 2.16 6.014111485e+01 6.014111481e+01 2.18 5.638003598e+01 5.638003591e+01 2.20 5.282550266e+01 5.282550263e+01 2.22 4.946527533e+01 4.946527530e+01 2.24 4.628698356e+01 4.628698346e+01 2.26 4.327854668e+01 4.327854665e+01 2.28 4.042865980e+01 4.042865974e+01 2.30 3.772726567e+01 3.772726561e+01 2.32 3.516589838e+01 3.516589832e+01 2.34 3.273776046e+01 3.273776037e+01 2.36 3.043744957e+01 3.043744949e+01 2.38 2.826039486e+01 2.826039481e+01 2.40 2.620224046e+01 2.620224038e+01 2.42 2.425844854e+01 2.425844848e+01 2.44 2.242418435e+01 2.242418427e+01 2.46 2.069433715e+01 2.069433711e+01 2.48 1.906357008e+01 1.906357004e+01 2.50 1.752638858e+01 1.752638854e+01 2.52 1.607723461e+01 1.607723457e+01 2.54 1.471060856e+01 1.471060853e+01 2.56 1.342121752e+01 1.342121748e+01 2.58 1.220414240e+01 1.220414237e+01 2.60 1.105500818e+01 1.105500817e+01 2.62 9.970130608e+00 9.970130600e+00 2.64 8.946603895e+00 8.946603887e+00 2.66 7.982292637e+00 7.982292629e+00 2.68 7.075706815e+00 7.075706806e+00 2.70 6.225776954e+00 6.225776946e+00 2.72 5.431596540e+00 5.431596532e+00 2.74 4.692223180e+00 4.692223167e+00 2.76 4.006588248e+00 4.006588235e+00 2.78 3.373482270e+00 3.373482258e+00 2.80 2.791555560e+00 2.791555549e+00 2.82 2.259313706e+00 2.259313695e+00 2.84 1.775112263e+00 1.775112252e+00 2.86 1.337153190e+00 1.337153181e+00 2.88 9.434836742e-01 9.434836585e-01 2.90 5.919977855e-01 5.919977805e-01 2.92 2.804417898e-01 2.804417756e-01 2.94 6.423487224e-03 6.423473754e-03 2.96 -2.325733864e-01 -2.325733921e-01 2.98 -4.391691193e-01 -4.391691178e-01 3.00 -6.160614852e-01 -6.160614901e-01 3.02 -7.659921029e-01 -7.659921028e-01 3.04 -8.917051428e-01 -8.917051427e-01 3.06 -9.958986050e-01 -9.958986049e-01 3.08 -1.081168726e+00 -1.081168726e+00 3.10 -1.149949603e+00 -1.149949603e+00 3.12 -1.204451611e+00 -1.204451611e+00 3.14 -1.246604434e+00 -1.246604434e+00 3.16 -1.278012874e+00 -1.278012874e+00 3.18 -1.299935532e+00 -1.299935532e+00 3.20 -1.313296349e+00 -1.313296349e+00 3.22 -1.318735004e+00 -1.318735004e+00 3.24 -1.316692287e+00 -1.316692287e+00 3.26 -1.307511838e+00 -1.307511838e+00 3.28 -1.291527313e+00 -1.291527313e+00 3.30 -1.269108127e+00 -1.269108127e+00 3.32 -1.240664418e+00 -1.240664418e+00 3.34 -1.206639860e+00 -1.206639860e+00 3.36 -1.167512934e+00 -1.167512934e+00 3.38 -1.123800088e+00 -1.123800088e+00 3.40 -1.076051494e+00 -1.076051494e+00 3.42 -1.024841130e+00 -1.024841130e+00 3.44 -9.707567661e-01 -9.707567661e-01 3.46 -9.143928538e-01 -9.143928538e-01 3.48 -8.563453786e-01 -8.563453786e-01 3.50 -7.972069543e-01 -7.972069543e-01 3.52 -7.375614929e-01 -7.375614929e-01 3.54 -6.779784020e-01 -6.779784020e-01 3.56 -6.190063716e-01 -6.190063716e-01 3.58 -5.611668389e-01 -5.611668389e-01 3.60 -5.049472553e-01 -5.049472553e-01 3.62 -4.507943183e-01 -4.507943183e-01 3.64 -3.991073712e-01 -3.991073712e-01 3.66 -3.502322264e-01 -3.502322264e-01 3.68 -3.044557191e-01 -3.044557191e-01 3.70 -2.620013509e-01 -2.620013509e-01 3.72 -2.230264274e-01 -2.230264274e-01 3.74 -1.876211186e-01 -1.876211186e-01 3.76 -1.558098396e-01 -1.558098396e-01 3.78 -1.275552402e-01 -1.275552402e-01 3.80 -1.027648416e-01 -1.027648416e-01 3.82 -8.129993452e-02 -8.129993452e-02 3.84 -6.298575300e-02 -6.298575300e-02 3.86 -4.762126829e-02 -4.762126829e-02 3.88 -3.498651581e-02 -3.498651581e-02 3.90 -2.484568935e-02 -2.484568935e-02 3.92 -1.694581761e-02 -1.694581761e-02 3.94 -1.101353502e-02 -1.101353502e-02 3.96 -6.754701765e-03 -6.754701765e-03 3.98 -3.860984200e-03 -3.860984200e-03 4.00 -2.023700408e-03 -2.023700408e-03 4.02 -9.517793777e-04 -9.517793777e-04 4.04 -3.899597432e-04 -3.899597432e-04 4.06 -1.335347453e-04 -1.335347453e-04 4.08 -3.599431080e-05 -3.599431080e-05 4.10 -6.980082722e-06 -6.980082722e-06 4.12 -8.452617759e-07 -8.452617759e-07 4.14 -5.046547717e-08 -5.046547717e-08 4.16 -9.699529566e-10 -9.699529566e-10 4.18 -2.552363787e-12 -2.552363787e-12 4.20 -1.239681067e-16 -1.239681067e-16 4.22 -2.598250037e-25 -2.598250037e-25 4.24 -9.240118089e-52 -9.240118089e-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