# 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 = Hg2SeTe # 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 1.588388911e+04 1.588388911e+04 0.96 1.396518251e+04 1.396518251e+04 0.98 1.231314561e+04 1.231314561e+04 1.00 1.088883249e+04 1.088883249e+04 1.02 9.659393881e+03 9.659393881e+03 1.04 8.597289823e+03 8.597289823e+03 1.06 7.675840317e+03 7.675840317e+03 1.08 6.869008004e+03 6.869008004e+03 1.10 6.155036135e+03 6.155036135e+03 1.12 5.518454375e+03 5.518454375e+03 1.14 4.949676095e+03 4.949676095e+03 1.16 4.442373442e+03 4.442373442e+03 1.18 3.990571214e+03 3.990571214e+03 1.20 3.588045220e+03 3.588045220e+03 1.22 3.228850381e+03 3.228850381e+03 1.24 2.907842872e+03 2.907842872e+03 1.26 2.620742133e+03 2.620742133e+03 1.28 2.363980008e+03 2.363980008e+03 1.30 2.134800755e+03 2.134800755e+03 1.32 1.931050514e+03 1.931050514e+03 1.34 1.750716191e+03 1.750716191e+03 1.36 1.591738283e+03 1.591738283e+03 1.38 1.451894032e+03 1.451894032e+03 1.40 1.328710124e+03 1.328710124e+03 1.42 1.219530890e+03 1.219530890e+03 1.44 1.121724840e+03 1.121724840e+03 1.46 1.032949052e+03 1.032949052e+03 1.48 9.513586026e+02 9.513586026e+02 1.50 8.756505431e+02 8.756505431e+02 1.52 8.049712562e+02 8.049712562e+02 1.54 7.388215750e+02 7.388215750e+02 1.56 6.769652242e+02 6.769652242e+02 1.58 6.192891124e+02 6.192891124e+02 1.60 5.657029053e+02 5.657029053e+02 1.62 5.161125516e+02 5.161125516e+02 1.64 4.704183325e+02 4.704183325e+02 1.66 4.285134000e+02 4.285134000e+02 1.68 3.902792474e+02 3.902792474e+02 1.70 3.555804527e+02 3.555804527e+02 1.72 3.242618795e+02 3.242618795e+02 1.74 2.961480304e+02 2.961480304e+02 1.76 2.710422417e+02 2.710422417e+02 1.78 2.487248203e+02 2.487248203e+02 1.80 2.289511898e+02 2.289511898e+02 1.82 2.114527771e+02 2.114527771e+02 1.84 1.959430413e+02 1.959430413e+02 1.86 1.821292484e+02 1.821292484e+02 1.88 1.697293865e+02 1.697293865e+02 1.90 1.584912147e+02 1.584912147e+02 1.92 1.482064474e+02 1.482064474e+02 1.94 1.387120182e+02 1.387120182e+02 1.96 1.298788580e+02 1.298788580e+02 1.98 1.216023593e+02 1.216023593e+02 2.00 1.138045484e+02 1.138045484e+02 2.02 1.064377113e+02 1.064377113e+02 2.04 9.947808090e+01 9.947808090e+01 2.06 9.291256978e+01 9.291256978e+01 2.08 8.672949599e+01 8.672949599e+01 2.10 8.091618864e+01 8.091618864e+01 2.12 7.545878349e+01 7.545878349e+01 2.14 7.034219250e+01 7.034219250e+01 2.16 6.555013577e+01 6.555013577e+01 2.18 6.106525679e+01 6.106525679e+01 2.20 5.686934035e+01 5.686934035e+01 2.22 5.294364604e+01 5.294364604e+01 2.24 4.926935462e+01 4.926935462e+01 2.26 4.582809720e+01 4.582809720e+01 2.28 4.260249725e+01 4.260249725e+01 2.30 3.957661411e+01 3.957661411e+01 2.32 3.673615715e+01 3.673615715e+01 2.34 3.406838292e+01 3.406838292e+01 2.36 3.156171989e+01 3.156171989e+01 2.38 2.920533956e+01 2.920533956e+01 2.40 2.698894624e+01 2.698894624e+01 2.42 2.490286287e+01 2.490286287e+01 2.44 2.293823821e+01 2.293823821e+01 2.46 2.108718361e+01 2.108718361e+01 2.48 1.934275771e+01 1.934275771e+01 2.50 1.769879025e+01 1.769879025e+01 2.52 1.614961411e+01 1.614961411e+01 2.54 1.468984641e+01 1.468984641e+01 2.56 1.331434031e+01 1.331434031e+01 2.58 1.201829864e+01 1.201829864e+01 2.60 1.079743717e+01 1.079743717e+01 2.62 9.648116854e+00 9.648116854e+00 2.64 8.567413943e+00 8.567413943e+00 2.66 7.553100288e+00 7.553100288e+00 2.68 6.603517600e+00 6.603517600e+00 2.70 5.717364535e+00 5.717364535e+00 2.72 4.893460793e+00 4.893460793e+00 2.74 4.130571810e+00 4.130571810e+00 2.76 3.427335440e+00 3.427335440e+00 2.78 2.782255685e+00 2.782255685e+00 2.80 2.193706806e+00 2.193706806e+00 2.82 1.659931137e+00 1.659931137e+00 2.84 1.179036004e+00 1.179036004e+00 2.86 7.489922936e-01 7.489922936e-01 2.88 3.676351122e-01 3.676351122e-01 2.90 3.266685592e-02 3.266685592e-02 2.92 -2.583369823e-01 -2.583369823e-01 2.94 -5.079189439e-01 -5.079189439e-01 2.96 -7.187273556e-01 -7.187273556e-01 2.98 -8.935004134e-01 -8.935004134e-01 3.00 -1.035046372e+00 -1.035046372e+00 3.02 -1.146219701e+00 -1.146219701e+00 3.04 -1.229893206e+00 -1.229893206e+00 3.06 -1.288926307e+00 -1.288926307e+00 3.08 -1.326129925e+00 -1.326129925e+00 3.10 -1.344228766e+00 -1.344228766e+00 3.12 -1.345822239e+00 -1.345822239e+00 3.14 -1.333345757e+00 -1.333345757e+00 3.16 -1.309034772e+00 -1.309034772e+00 3.18 -1.274894544e+00 -1.274894544e+00 3.20 -1.232679172e+00 -1.232679172e+00 3.22 -1.183883769e+00 -1.183883769e+00 3.24 -1.129753395e+00 -1.129753395e+00 3.26 -1.071311226e+00 -1.071311226e+00 3.28 -1.009405891e+00 -1.009405891e+00 3.30 -9.447737564e-01 -9.447737564e-01 3.32 -8.781064437e-01 -8.781064437e-01 3.34 -8.101087892e-01 -8.101087892e-01 3.36 -7.415311630e-01 -7.415311630e-01 3.38 -6.731667195e-01 -6.731667195e-01 3.40 -6.058192933e-01 -6.058192933e-01 3.42 -5.402621584e-01 -5.402621584e-01 3.44 -4.772066640e-01 -4.772066640e-01 3.46 -4.172834930e-01 -4.172834930e-01 3.48 -3.610295728e-01 -3.610295728e-01 3.50 -3.088769933e-01 -3.088769933e-01 3.52 -2.611440326e-01 -2.611440326e-01 3.54 -2.180292225e-01 -2.180292225e-01 3.56 -1.796095381e-01 -1.796095381e-01 3.58 -1.458438370e-01 -1.458438370e-01 3.60 -1.165825319e-01 -1.165825319e-01 3.62 -9.158401452e-02 -9.158401452e-02 3.64 -7.053739603e-02 -7.053739603e-02 3.66 -5.308957869e-02 -5.308957869e-02 3.68 -3.887266750e-02 -3.887266750e-02 3.70 -2.752593898e-02 -2.752593898e-02 3.72 -1.870644612e-02 -1.870644612e-02 3.74 -1.208566157e-02 -1.208566157e-02 3.76 -7.336717991e-03 -7.336717991e-03 3.78 -4.123899104e-03 -4.123899104e-03 3.80 -2.105529196e-03 -2.105529196e-03 3.82 -9.514255965e-04 -9.514255965e-04 3.84 -3.669305276e-04 -3.669305276e-04 3.86 -1.146235034e-04 -1.146235034e-04 3.88 -2.682135055e-05 -2.682135055e-05 3.90 -4.159570854e-06 -4.159570854e-06 3.92 -3.490153725e-07 -3.490153725e-07 3.94 -1.102375837e-08 -1.102375837e-08 3.96 -6.389815484e-11 -6.389815484e-11 3.98 -1.303169326e-14 -1.303169326e-14 4.00 -7.475579349e-22 -7.475579349e-22 4.02 -1.629049471e-42 -1.629049471e-42 4.04 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 0.000000000e+00 5.26 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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