# 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 = CdSZn2 # 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 1.066385471e+04 1.066385471e+04 0.96 9.379764124e+03 9.379764124e+03 0.98 8.275133333e+03 8.275133333e+03 1.00 7.323356423e+03 7.323356423e+03 1.02 6.499340045e+03 6.499340045e+03 1.04 5.780800524e+03 5.780800524e+03 1.06 5.149466872e+03 5.149466872e+03 1.08 4.592104245e+03 4.592104245e+03 1.10 4.098891039e+03 4.098891039e+03 1.12 3.660859205e+03 3.660859205e+03 1.14 3.270349598e+03 3.270349598e+03 1.16 2.921739346e+03 2.921739346e+03 1.18 2.611008053e+03 2.611008053e+03 1.20 2.335065565e+03 2.335065565e+03 1.22 2.091178178e+03 2.091178178e+03 1.24 1.876555791e+03 1.876555791e+03 1.26 1.688169564e+03 1.688169564e+03 1.28 1.522937246e+03 1.522937246e+03 1.30 1.377993124e+03 1.377993124e+03 1.32 1.250699490e+03 1.250699490e+03 1.34 1.138476286e+03 1.138476286e+03 1.36 1.038770093e+03 1.038770093e+03 1.38 9.491966991e+02 9.491966991e+02 1.40 8.677667274e+02 8.677667274e+02 1.42 7.930686537e+02 7.930686537e+02 1.44 7.242828564e+02 7.242828564e+02 1.46 6.609377262e+02 6.609377262e+02 1.48 6.026307415e+02 6.026307415e+02 1.50 5.489728007e+02 5.489728007e+02 1.52 4.996236633e+02 4.996236633e+02 1.54 4.543230671e+02 4.543230671e+02 1.56 4.128801908e+02 4.128801908e+02 1.58 3.751231180e+02 3.751231180e+02 1.60 3.408634899e+02 3.408634899e+02 1.62 3.098927269e+02 3.098927269e+02 1.64 2.819877092e+02 2.819877092e+02 1.66 2.569177054e+02 2.569177054e+02 1.68 2.344502005e+02 2.344502005e+02 1.70 2.143531693e+02 2.143531693e+02 1.72 1.963925956e+02 1.963925956e+02 1.74 1.803277868e+02 1.803277868e+02 1.76 1.659121035e+02 1.659121035e+02 1.78 1.529050461e+02 1.529050461e+02 1.80 1.410923101e+02 1.410923101e+02 1.82 1.303053184e+02 1.303053184e+02 1.84 1.204288371e+02 1.204288371e+02 1.86 1.113875024e+02 1.113875024e+02 1.88 1.031193928e+02 1.031193928e+02 1.90 9.555927015e+01 9.555927015e+01 1.92 8.863620326e+01 8.863620326e+01 1.94 8.227594342e+01 8.227594342e+01 1.96 7.640503499e+01 7.640503499e+01 1.98 7.095630274e+01 7.095630274e+01 2.00 6.587443862e+01 6.587443862e+01 2.02 6.111925802e+01 6.111925802e+01 2.04 5.666441624e+01 5.666441624e+01 2.06 5.249243488e+01 5.249243488e+01 2.08 4.859013197e+01 4.859013197e+01 2.10 4.494642907e+01 4.494642907e+01 2.12 4.155094441e+01 4.155094441e+01 2.14 3.839275618e+01 3.839275618e+01 2.16 3.545977916e+01 3.545977916e+01 2.18 3.273868022e+01 3.273868022e+01 2.20 3.021497850e+01 3.021497850e+01 2.22 2.787322961e+01 2.787322961e+01 2.24 2.569731744e+01 2.569731744e+01 2.26 2.367086982e+01 2.367086982e+01 2.28 2.177779786e+01 2.177779786e+01 2.30 2.000293152e+01 2.000293152e+01 2.32 1.833268681e+01 1.833268681e+01 2.34 1.675565886e+01 1.675565886e+01 2.36 1.526301183e+01 1.526301183e+01 2.38 1.384855396e+01 1.384855396e+01 2.40 1.250845088e+01 1.250845088e+01 2.42 1.124061765e+01 1.124061765e+01 2.44 1.004393188e+01 1.004393188e+01 2.46 8.917538960e+00 8.917538960e+00 2.48 7.860506537e+00 7.860506537e+00 2.50 6.871773937e+00 6.871773937e+00 2.52 5.950163483e+00 5.950163483e+00 2.54 5.094375505e+00 5.094375505e+00 2.56 4.302979888e+00 4.302979888e+00 2.58 3.574408890e+00 3.574408890e+00 2.60 2.906951692e+00 2.906951692e+00 2.62 2.298751028e+00 2.298751028e+00 2.64 1.747802269e+00 1.747802269e+00 2.66 1.251955363e+00 1.251955363e+00 2.68 8.089200179e-01 8.089200179e-01 2.70 4.162744768e-01 4.162744768e-01 2.72 7.147816680e-02 7.147816680e-02 2.74 -2.281116876e-01 -2.281116876e-01 2.76 -4.852196229e-01 -4.852196229e-01 2.78 -7.026281898e-01 -7.026281898e-01 2.80 -8.831519264e-01 -8.831519264e-01 2.82 -1.029610700e+00 -1.029610700e+00 2.84 -1.144804738e+00 -1.144804738e+00 2.86 -1.231494233e+00 -1.231494233e+00 2.88 -1.292386549e+00 -1.292386549e+00 2.90 -1.330133352e+00 -1.330133352e+00 2.92 -1.347337912e+00 -1.347337912e+00 2.94 -1.346569082e+00 -1.346569082e+00 2.96 -1.330373598e+00 -1.330373598e+00 2.98 -1.301274422e+00 -1.301274422e+00 3.00 -1.261743678e+00 -1.261743678e+00 3.02 -1.214147340e+00 -1.214147340e+00 3.04 -1.160672439e+00 -1.160672439e+00 3.06 -1.103255318e+00 -1.103255318e+00 3.08 -1.043524568e+00 -1.043524568e+00 3.10 -9.827653268e-01 -9.827653268e-01 3.12 -9.219130882e-01 -9.219130882e-01 3.14 -8.615876382e-01 -8.615876382e-01 3.16 -8.021727970e-01 -8.021727970e-01 3.18 -7.439324966e-01 -7.439324966e-01 3.20 -6.871299433e-01 -6.871299433e-01 3.22 -6.320983786e-01 -6.320983786e-01 3.24 -5.792284716e-01 -5.792284716e-01 3.26 -5.288984296e-01 -5.288984296e-01 3.28 -4.814143714e-01 -4.814143714e-01 3.30 -4.369872917e-01 -4.369872917e-01 3.32 -3.957271753e-01 -3.957271753e-01 3.34 -3.576424561e-01 -3.576424561e-01 3.36 -3.226443380e-01 -3.226443380e-01 3.38 -2.905570256e-01 -2.905570256e-01 3.40 -2.611346805e-01 -2.611346805e-01 3.42 -2.340852884e-01 -2.340852884e-01 3.44 -2.091005034e-01 -2.091005034e-01 3.46 -1.858888929e-01 -1.858888929e-01 3.48 -1.642080231e-01 -1.642080231e-01 3.50 -1.438891168e-01 -1.438891168e-01 3.52 -1.248477180e-01 -1.248477180e-01 3.54 -1.070763171e-01 -1.070763171e-01 3.56 -9.062075798e-02 -9.062075798e-02 3.58 -7.554931722e-02 -7.554931722e-02 3.60 -6.192627457e-02 -6.192627457e-02 3.62 -4.979658937e-02 -4.979658937e-02 3.64 -3.917951041e-02 -3.917951041e-02 3.66 -3.006585999e-02 -3.006585999e-02 3.68 -2.241647673e-02 -2.241647673e-02 3.70 -1.616159757e-02 -1.616159757e-02 3.72 -1.120149937e-02 -1.120149937e-02 3.74 -7.408790626e-03 -7.408790626e-03 3.76 -4.632736230e-03 -4.632736230e-03 3.78 -2.705898139e-03 -2.705898139e-03 3.80 -1.453125778e-03 -1.453125778e-03 3.82 -7.024779129e-04 -7.024779129e-04 3.84 -2.969917357e-04 -2.969917357e-04 3.86 -1.054395306e-04 -1.054395306e-04 3.88 -2.963754051e-05 -2.963754051e-05 3.90 -6.035828575e-06 -6.035828575e-06 3.92 -7.741308171e-07 -7.741308171e-07 3.94 -4.941920158e-08 -4.941920158e-08 3.96 -1.024014538e-09 -1.024014538e-09 3.98 -2.895298284e-12 -2.895298284e-12 4.00 -1.418127177e-16 -1.418127177e-16 4.02 -1.959267585e-25 -1.959267585e-25 4.04 -4.306275033e-54 -4.306275033e-54 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 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 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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