# 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 = Hg2Se # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 1.285179248e+04 0.88 1.120440417e+04 0.90 9.787187729e+03 0.92 8.564705895e+03 0.94 7.510004696e+03 0.96 6.599929172e+03 0.98 5.815301643e+03 1.00 5.140259111e+03 1.02 4.559715530e+03 1.04 4.057873667e+03 1.06 3.619266534e+03 1.08 3.231337420e+03 1.10 2.886339241e+03 1.12 2.579948988e+03 1.14 2.308781058e+03 1.16 2.069289837e+03 1.18 1.857583543e+03 1.20 1.669681025e+03 1.22 1.502064857e+03 1.24 1.352262134e+03 1.26 1.218741892e+03 1.28 1.100246886e+03 1.30 9.954624901e+02 1.32 9.030164063e+02 1.34 8.215294731e+02 1.36 7.496319277e+02 1.38 6.859292550e+02 1.40 6.289859414e+02 1.42 5.774104771e+02 1.44 5.300189871e+02 1.46 4.859871291e+02 1.48 4.448822718e+02 1.50 4.065309933e+02 1.52 3.708434289e+02 1.54 3.377343141e+02 1.56 3.071111648e+02 1.58 2.788753460e+02 1.60 2.529247660e+02 1.62 2.291569770e+02 1.64 2.074713704e+02 1.66 1.877689119e+02 1.68 1.699490822e+02 1.70 1.539062594e+02 1.72 1.395283023e+02 1.74 1.266968402e+02 1.76 1.152870892e+02 1.78 1.051664044e+02 1.80 9.619257921e+01 1.82 8.821431411e+01 1.84 8.107567253e+01 1.86 7.462458290e+01 1.88 6.872463263e+01 1.90 6.326776418e+01 1.92 5.818252753e+01 1.94 5.343158319e+01 1.96 4.899815513e+01 1.98 4.487169022e+01 2.00 4.104186686e+01 2.02 3.749782920e+01 2.04 3.422811598e+01 2.06 3.122059194e+01 2.08 2.846239544e+01 2.10 2.593990875e+01 2.12 2.363875888e+01 2.14 2.154385898e+01 2.16 1.963950255e+01 2.18 1.790952395e+01 2.20 1.633753711e+01 2.22 1.490725805e+01 2.24 1.360290316e+01 2.26 1.240963128e+01 2.28 1.131396601e+01 2.30 1.030410410e+01 2.32 9.370008766e+00 2.34 8.503235882e+00 2.36 7.696560808e+00 2.38 6.943612336e+00 2.40 6.238731495e+00 2.42 5.577074367e+00 2.44 4.954774088e+00 2.46 4.369002001e+00 2.48 3.817873325e+00 2.50 3.300198930e+00 2.52 2.815154264e+00 2.54 2.361998996e+00 2.56 1.939951656e+00 2.58 1.548193100e+00 2.60 1.185893223e+00 2.62 8.522162023e-01 2.64 5.463171168e-01 2.66 2.673380837e-01 2.68 1.440472496e-02 2.70 -2.133769986e-01 2.72 -4.169235401e-01 2.74 -5.971760595e-01 2.76 -7.551022039e-01 2.78 -8.916973156e-01 2.80 -1.007985006e+00 2.82 -1.105017026e+00 2.84 -1.183872371e+00 2.86 -1.245655545e+00 2.88 -1.291493917e+00 2.90 -1.322534126e+00 2.92 -1.339937460e+00 2.94 -1.344874209e+00 2.96 -1.338516960e+00 2.98 -1.322032869e+00 3.00 -1.296574995e+00 3.02 -1.263272794e+00 3.04 -1.223222007e+00 3.06 -1.177474203e+00 3.08 -1.127026388e+00 3.10 -1.072811184e+00 3.12 -1.015688227e+00 3.14 -9.564375328e-01 3.16 -8.957557014e-01 3.18 -8.342558242e-01 3.20 -7.724718701e-01 3.22 -7.108680166e-01 3.24 -6.498528071e-01 3.26 -5.897971043e-01 3.28 -5.310536181e-01 3.30 -4.739745545e-01 3.32 -4.189231842e-01 3.34 -3.662756282e-01 3.36 -3.164115532e-01 3.38 -2.696963858e-01 3.40 -2.264609613e-01 3.42 -1.869842184e-01 3.44 -1.514805315e-01 3.46 -1.200899099e-01 3.48 -9.286957098e-02 3.50 -6.978695001e-02 3.52 -5.071496602e-02 3.54 -3.543066040e-02 3.56 -2.361854813e-02 3.58 -1.488014464e-02 3.60 -8.751012101e-03 3.62 -4.726094759e-03 3.64 -2.292827360e-03 3.66 -9.693236134e-04 3.68 -3.420398131e-04 3.70 -9.456604534e-05 3.72 -1.859817637e-05 3.74 -2.227139291e-06 3.76 -1.243149100e-07 3.78 -1.959582125e-09 3.80 -3.013844542e-12 3.82 -2.986934894e-17 3.84 -1.235181071e-28 3.86 -4.981504690e-80 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00