# 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 = Hg2TeZn # 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 1.253367570e+04 1.253367570e+04 0.96 1.102787178e+04 1.102787178e+04 0.98 9.731017003e+03 9.731017003e+03 1.00 8.611787378e+03 8.611787378e+03 1.02 7.644535975e+03 7.644535975e+03 1.04 6.807440573e+03 6.807440573e+03 1.06 6.079554275e+03 6.079554275e+03 1.08 5.440630895e+03 5.440630895e+03 1.10 4.874044933e+03 4.874044933e+03 1.12 4.368036270e+03 4.368036270e+03 1.14 3.915021571e+03 3.915021571e+03 1.16 3.510167259e+03 3.510167259e+03 1.18 3.149327228e+03 3.149327228e+03 1.20 2.828326343e+03 2.828326343e+03 1.22 2.542966998e+03 2.542966998e+03 1.24 2.289043493e+03 2.289043493e+03 1.26 2.062585520e+03 2.062585520e+03 1.28 1.860305153e+03 1.860305153e+03 1.30 1.679817214e+03 1.679817214e+03 1.32 1.519363821e+03 1.519363821e+03 1.34 1.377351189e+03 1.377351189e+03 1.36 1.252160876e+03 1.252160876e+03 1.38 1.142032998e+03 1.142032998e+03 1.40 1.044986760e+03 1.044986760e+03 1.42 9.589029883e+02 9.589029883e+02 1.44 8.817430434e+02 8.817430434e+02 1.46 8.117732199e+02 8.117732199e+02 1.48 7.476312391e+02 7.476312391e+02 1.50 6.882560745e+02 6.882560745e+02 1.52 6.328692616e+02 6.328692616e+02 1.54 5.809968028e+02 5.809968028e+02 1.56 5.324223827e+02 5.324223827e+02 1.58 4.870558220e+02 4.870558220e+02 1.60 4.448342311e+02 4.448342311e+02 1.62 4.056951397e+02 4.056951397e+02 1.64 3.695739129e+02 3.695739129e+02 1.66 3.364016377e+02 3.364016377e+02 1.68 3.060998779e+02 3.060998779e+02 1.70 2.785744675e+02 2.785744675e+02 1.72 2.537115056e+02 2.537115056e+02 1.74 2.313758874e+02 2.313758874e+02 1.76 2.114112277e+02 2.114112277e+02 1.78 1.936411504e+02 1.936411504e+02 1.80 1.778725741e+02 1.778725741e+02 1.82 1.639016069e+02 1.639016069e+02 1.84 1.515219960e+02 1.515219960e+02 1.86 1.405343652e+02 1.405343652e+02 1.88 1.307523100e+02 1.307523100e+02 1.90 1.220019812e+02 1.220019812e+02 1.92 1.141182171e+02 1.141182171e+02 1.94 1.069451600e+02 1.069451600e+02 1.96 1.003429832e+02 1.003429832e+02 1.98 9.419642610e+01 9.419642610e+01 2.00 8.842109156e+01 8.842109156e+01 2.02 8.296440392e+01 8.296440392e+01 2.04 7.779855076e+01 7.779855076e+01 2.06 7.290798526e+01 7.290798526e+01 2.08 6.828072876e+01 6.828072876e+01 2.10 6.390589017e+01 6.390589017e+01 2.12 5.977291458e+01 5.977291458e+01 2.14 5.587096480e+01 5.587096480e+01 2.16 5.218864582e+01 5.218864582e+01 2.18 4.871405855e+01 4.871405855e+01 2.20 4.543500247e+01 4.543500247e+01 2.22 4.233926675e+01 4.233926675e+01 2.24 3.941500429e+01 3.941500429e+01 2.26 3.665115876e+01 3.665115876e+01 2.28 3.403787917e+01 3.403787917e+01 2.30 3.156682023e+01 3.156682023e+01 2.32 2.923121130e+01 2.923121130e+01 2.34 2.702561743e+01 2.702561743e+01 2.36 2.494543451e+01 2.494543451e+01 2.38 2.298631578e+01 2.298631578e+01 2.40 2.114377509e+01 2.114377509e+01 2.42 1.941304953e+01 1.941304953e+01 2.44 1.778910402e+01 1.778910402e+01 2.46 1.626666763e+01 1.626666763e+01 2.48 1.484028411e+01 1.484028411e+01 2.50 1.350438285e+01 1.350438285e+01 2.52 1.225337320e+01 1.225337320e+01 2.54 1.108176298e+01 1.108176298e+01 2.56 9.984298721e+00 9.984298721e+00 2.58 8.956119534e+00 8.956119534e+00 2.60 7.992908720e+00 7.992908720e+00 2.62 7.091018012e+00 7.091018012e+00 2.64 6.247532096e+00 6.247532096e+00 2.66 5.460241630e+00 5.460241630e+00 2.68 4.727509452e+00 4.727509452e+00 2.70 4.048050976e+00 4.048050976e+00 2.72 3.420694477e+00 3.420694477e+00 2.74 2.844204952e+00 2.844204952e+00 2.76 2.317211633e+00 2.317211633e+00 2.78 1.838202852e+00 1.838202852e+00 2.80 1.405531270e+00 1.405531270e+00 2.82 1.017413076e+00 1.017413076e+00 2.84 6.719267985e-01 6.719267985e-01 2.86 3.670144110e-01 3.670144110e-01 2.88 1.004853394e-01 1.004853394e-01 2.90 -1.299761297e-01 -1.299761297e-01 2.92 -3.267995259e-01 -3.267995259e-01 2.94 -4.925124207e-01 -4.925124207e-01 2.96 -6.297196822e-01 -6.297196822e-01 2.98 -7.410772974e-01 -7.410772974e-01 3.00 -8.292604208e-01 -8.292604208e-01 3.02 -8.969255304e-01 -8.969255304e-01 3.04 -9.466669336e-01 -9.466669336e-01 3.06 -9.809684255e-01 -9.809684255e-01 3.08 -1.002151723e+00 -1.002151723e+00 3.10 -1.012324441e+00 -1.012324441e+00 3.12 -1.013331849e+00 -1.013331849e+00 3.14 -1.006718336e+00 -1.006718336e+00 3.16 -9.937061214e-01 -9.937061214e-01 3.18 -9.751994126e-01 -9.751994126e-01 3.20 -9.518208397e-01 -9.518208397e-01 3.22 -9.239817576e-01 -9.239817576e-01 3.24 -8.919780349e-01 -8.919780349e-01 3.26 -8.560899325e-01 -8.560899325e-01 3.28 -8.166561190e-01 -8.166561190e-01 3.30 -7.740998536e-01 -7.740998536e-01 3.32 -7.289135276e-01 -7.289135276e-01 3.34 -6.816323245e-01 -6.816323245e-01 3.36 -6.328173959e-01 -6.328173959e-01 3.38 -5.830438866e-01 -5.830438866e-01 3.40 -5.328880768e-01 -5.328880768e-01 3.42 -4.829157109e-01 -4.829157109e-01 3.44 -4.336729937e-01 -4.336729937e-01 3.46 -3.856790481e-01 -3.856790481e-01 3.48 -3.394185345e-01 -3.394185345e-01 3.50 -2.953341277e-01 -2.953341277e-01 3.52 -2.538189770e-01 -2.538189770e-01 3.54 -2.152093652e-01 -2.152093652e-01 3.56 -1.797778282e-01 -1.797778282e-01 3.58 -1.477270500e-01 -1.477270500e-01 3.60 -1.191849016e-01 -1.191849016e-01 3.62 -9.420105249e-02 -9.420105249e-02 3.64 -7.274562591e-02 -7.274562591e-02 3.66 -5.471039208e-02 -5.471039208e-02 3.68 -3.991295678e-02 -3.991295678e-02 3.70 -2.810426881e-02 -2.810426881e-02 3.72 -1.897950671e-02 -1.897950671e-02 3.74 -1.219200898e-02 -1.219200898e-02 3.76 -7.369471935e-03 -7.369471935e-03 3.78 -4.131363733e-03 -4.131363733e-03 3.80 -2.106652941e-03 -2.106652941e-03 3.82 -9.515173557e-04 -9.515173557e-04 3.84 -3.669333843e-04 -3.669333843e-04 3.86 -1.146235204e-04 -1.146235204e-04 3.88 -2.682135056e-05 -2.682135056e-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 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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