# 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 = Cd2SeTe # 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 1.891998023e+04 1.891998023e+04 0.96 1.665005504e+04 1.665005504e+04 0.98 1.468530486e+04 1.468530486e+04 1.00 1.297840925e+04 1.297840925e+04 1.02 1.149540572e+04 1.149540572e+04 1.04 1.020988601e+04 1.020988601e+04 1.06 9.094992674e+03 9.094992674e+03 1.08 8.122853964e+03 8.122853964e+03 1.10 7.267771206e+03 7.267771206e+03 1.12 6.509875085e+03 6.509875085e+03 1.14 5.836116287e+03 5.836116287e+03 1.16 5.236375354e+03 5.236375354e+03 1.18 4.701611119e+03 4.701611119e+03 1.20 4.224804970e+03 4.224804970e+03 1.22 3.800483753e+03 3.800483753e+03 1.24 3.423258508e+03 3.423258508e+03 1.26 3.087693200e+03 3.087693200e+03 1.28 2.788975639e+03 2.788975639e+03 1.30 2.523060762e+03 2.523060762e+03 1.32 2.286241523e+03 2.286241523e+03 1.34 2.075182789e+03 2.075182789e+03 1.36 1.887228957e+03 1.887228957e+03 1.38 1.720266453e+03 1.720266453e+03 1.40 1.572227718e+03 1.572227718e+03 1.42 1.440841862e+03 1.440841862e+03 1.44 1.323693799e+03 1.323693799e+03 1.46 1.218383905e+03 1.218383905e+03 1.48 1.122736539e+03 1.122736539e+03 1.50 1.035009824e+03 1.035009824e+03 1.52 9.539711570e+02 9.539711570e+02 1.54 8.787732483e+02 8.787732483e+02 1.56 8.087676642e+02 8.087676642e+02 1.58 7.434162077e+02 7.434162077e+02 1.60 6.823071804e+02 6.823071804e+02 1.62 6.251824704e+02 6.251824704e+02 1.64 5.719083938e+02 5.719083938e+02 1.66 5.224018936e+02 5.224018936e+02 1.68 4.765835828e+02 4.765835828e+02 1.70 4.343648419e+02 4.343648419e+02 1.72 3.956430143e+02 3.956430143e+02 1.74 3.602996560e+02 3.602996560e+02 1.76 3.281996230e+02 3.281996230e+02 1.78 2.991889450e+02 2.991889450e+02 1.80 2.730920872e+02 2.730920872e+02 1.82 2.497109922e+02 2.497109922e+02 1.84 2.288275614e+02 2.288275614e+02 1.86 2.102091459e+02 2.102091459e+02 1.88 1.936161067e+02 1.936161067e+02 1.90 1.788103154e+02 1.788103154e+02 1.92 1.655628699e+02 1.655628699e+02 1.94 1.536598985e+02 1.536598985e+02 1.96 1.429078809e+02 1.429078809e+02 1.98 1.331407173e+02 1.331407173e+02 2.00 1.242243484e+02 1.242243484e+02 2.02 1.160503393e+02 1.160503393e+02 2.04 1.085223255e+02 1.085223255e+02 2.06 1.015503407e+02 1.015503407e+02 2.08 9.505553328e+01 9.505553328e+01 2.10 8.897661271e+01 8.897661271e+01 2.12 8.327237953e+01 8.327237953e+01 2.14 7.791784649e+01 7.791784649e+01 2.16 7.289589582e+01 7.289589582e+01 2.18 6.819049400e+01 6.819049400e+01 2.20 6.378448053e+01 6.378448053e+01 2.22 5.965957530e+01 5.965957530e+01 2.24 5.579674653e+01 5.579674653e+01 2.26 5.217670958e+01 5.217670958e+01 2.28 4.878052825e+01 4.878052825e+01 2.30 4.559024085e+01 4.559024085e+01 2.32 4.258938399e+01 4.258938399e+01 2.34 3.976326469e+01 3.976326469e+01 2.36 3.709888309e+01 3.709888309e+01 2.38 3.458456403e+01 3.458456403e+01 2.40 3.220955008e+01 3.220955008e+01 2.42 2.996383957e+01 2.996383957e+01 2.44 2.783830166e+01 2.783830166e+01 2.46 2.582483854e+01 2.582483854e+01 2.48 2.391639920e+01 2.391639920e+01 2.50 2.210680303e+01 2.210680303e+01 2.52 2.039044331e+01 2.039044331e+01 2.54 1.876202595e+01 1.876202595e+01 2.56 1.721648916e+01 1.721648916e+01 2.58 1.574911001e+01 1.574911001e+01 2.60 1.435568128e+01 1.435568128e+01 2.62 1.303266628e+01 1.303266628e+01 2.64 1.177729279e+01 1.177729279e+01 2.66 1.058755300e+01 1.058755300e+01 2.68 9.462087174e+00 9.462087174e+00 2.70 8.399966225e+00 8.399966225e+00 2.72 7.400438601e+00 7.400438601e+00 2.74 6.462732954e+00 6.462732954e+00 2.76 5.585967627e+00 5.585967627e+00 2.78 4.769135578e+00 4.769135578e+00 2.80 4.011104581e+00 4.011104581e+00 2.82 3.310612009e+00 3.310612009e+00 2.84 2.666258313e+00 2.666258313e+00 2.86 2.076501586e+00 2.076501586e+00 2.88 1.539653639e+00 1.539653639e+00 2.90 1.053877932e+00 1.053877932e+00 2.92 6.171897003e-01 6.171897003e-01 2.94 2.274586973e-01 2.274586973e-01 2.96 -1.175850437e-01 -1.175850437e-01 2.98 -4.203419598e-01 -4.203419598e-01 3.00 -6.833297770e-01 -6.833297770e-01 3.02 -9.091659575e-01 -9.091659575e-01 3.04 -1.100545394e+00 -1.100545394e+00 3.06 -1.260213078e+00 -1.260213078e+00 3.08 -1.390931636e+00 -1.390931636e+00 3.10 -1.495443925e+00 -1.495443925e+00 3.12 -1.576431258e+00 -1.576431258e+00 3.14 -1.636468413e+00 -1.636468413e+00 3.16 -1.677977313e+00 -1.677977313e+00 3.18 -1.703182217e+00 -1.703182217e+00 3.20 -1.714070298e+00 -1.714070298e+00 3.22 -1.712362604e+00 -1.712362604e+00 3.24 -1.699501093e+00 -1.699501093e+00 3.26 -1.676657421e+00 -1.676657421e+00 3.28 -1.644767513e+00 -1.644767513e+00 3.30 -1.604591957e+00 -1.604591957e+00 3.32 -1.556795542e+00 -1.556795542e+00 3.34 -1.502030912e+00 -1.502030912e+00 3.36 -1.441005125e+00 -1.441005125e+00 3.38 -1.374510307e+00 -1.374510307e+00 3.40 -1.303414886e+00 -1.303414886e+00 3.42 -1.228632875e+00 -1.228632875e+00 3.44 -1.151095392e+00 -1.151095392e+00 3.46 -1.071733448e+00 -1.071733448e+00 3.48 -9.914662971e-01 -9.914662971e-01 3.50 -9.111900940e-01 -9.111900940e-01 3.52 -8.317656160e-01 -8.317656160e-01 3.54 -7.540051226e-01 -7.540051226e-01 3.56 -6.786585953e-01 -6.786585953e-01 3.58 -6.063997278e-01 -6.063997278e-01 3.60 -5.378121716e-01 -5.378121716e-01 3.62 -4.733767107e-01 -4.733767107e-01 3.64 -4.134602359e-01 -4.134602359e-01 3.66 -3.583076162e-01 -3.583076162e-01 3.68 -3.080377837e-01 -3.080377837e-01 3.70 -2.626455178e-01 -2.626455178e-01 3.72 -2.220104200e-01 -2.220104200e-01 3.74 -1.859142412e-01 -1.859142412e-01 3.76 -1.540668162e-01 -1.540668162e-01 3.78 -1.261391292e-01 -1.261391292e-01 3.80 -1.017994077e-01 -1.017994077e-01 3.82 -8.074509858e-02 -8.074509858e-02 3.84 -6.272162382e-02 -6.272162382e-02 3.86 -4.752053243e-02 -4.752053243e-02 3.88 -3.495722700e-02 -3.495722700e-02 3.90 -2.483966387e-02 -2.483966387e-02 3.92 -1.694504410e-02 -1.694504410e-02 3.94 -1.101348592e-02 -1.101348592e-02 3.96 -6.754700930e-03 -6.754700930e-03 3.98 -3.860984303e-03 -3.860984303e-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