# 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 = SZn3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 8.678175282e+03 nan nan 0.88 7.563762844e+03 nan nan 0.90 6.607793638e+03 nan nan 0.92 5.782839955e+03 nan nan 0.94 5.067835498e+03 8.571601939e+03 nan 0.96 4.446165897e+03 7.556130070e+03 9.037454215e+03 0.98 3.905000485e+03 6.677719439e+03 7.962077413e+03 1.00 3.433860800e+03 5.909753079e+03 7.020109598e+03 1.02 3.023604038e+03 5.233656975e+03 6.196884719e+03 1.04 2.666448441e+03 4.637772360e+03 5.478529927e+03 1.06 2.355973785e+03 4.113539157e+03 4.852440254e+03 1.08 2.086421788e+03 3.653113512e+03 4.307327380e+03 1.10 1.852213420e+03 3.248986428e+03 3.832592290e+03 1.12 1.648246107e+03 2.893878245e+03 3.418184618e+03 1.14 1.470116653e+03 2.581023430e+03 3.055397043e+03 1.16 1.314080593e+03 2.304783169e+03 2.737511367e+03 1.18 1.176947910e+03 2.060847112e+03 2.459270668e+03 1.20 1.056032684e+03 1.845948800e+03 2.215882347e+03 1.22 9.490788962e+02 1.657421787e+03 2.002489829e+03 1.24 8.541006095e+02 1.492746154e+03 1.814295147e+03 1.26 7.693589907e+02 1.349173661e+03 1.646905151e+03 1.28 6.934364649e+02 1.223681612e+03 1.496591235e+03 1.30 6.252929498e+02 1.113138581e+03 1.360471423e+03 1.32 5.642080130e+02 1.014561767e+03 1.236604386e+03 1.34 5.095818823e+02 9.253965563e+02 1.123802747e+03 1.36 4.608031700e+02 8.437205691e+02 1.021249881e+03 1.38 4.172545663e+02 7.682961726e+02 9.282279408e+02 1.40 3.783453840e+02 6.984546264e+02 8.440577145e+02 1.42 3.435163963e+02 6.338730216e+02 7.680658218e+02 1.44 3.122274503e+02 5.743505447e+02 6.995318959e+02 1.46 2.839658108e+02 5.197095533e+02 6.376753312e+02 1.48 2.582730755e+02 4.697837312e+02 5.816876985e+02 1.50 2.347760175e+02 4.244086267e+02 5.307870654e+02 1.52 2.132127081e+02 3.834048665e+02 4.842789984e+02 1.54 1.934279676e+02 3.465664380e+02 4.416032670e+02 1.56 1.753274693e+02 3.136573311e+02 4.023459704e+02 1.58 1.588290366e+02 2.844114512e+02 3.662149257e+02 1.60 1.438447494e+02 2.585341119e+02 3.329941782e+02 1.62 1.302800905e+02 2.357056246e+02 3.025042020e+02 1.64 1.180356231e+02 2.155877817e+02 2.745834192e+02 1.66 1.070092656e+02 1.978338518e+02 2.490821591e+02 1.68 9.709868688e+01 1.821017983e+02 2.258641885e+02 1.70 8.820296380e+01 1.680686260e+02 2.048090283e+02 1.72 8.022277534e+01 1.554422316e+02 1.858079707e+02 1.74 7.305973047e+01 1.439687005e+02 1.687541839e+02 1.76 6.661705487e+01 1.334372594e+02 1.535333910e+02 1.78 6.080281850e+01 1.236843330e+02 1.400200230e+02 1.80 5.553386670e+01 1.145938257e+02 1.280768974e+02 1.82 5.073792810e+01 1.060918702e+02 1.175558387e+02 1.84 4.635264532e+01 9.813573674e+01 1.082990039e+02 1.86 4.232271280e+01 9.069892885e+01 1.001413129e+02 1.88 3.859850895e+01 8.375860700e+01 9.291448844e+01 1.90 3.513778352e+01 7.729037929e+01 8.645314556e+01 1.92 3.190812633e+01 7.126767039e+01 8.060292376e+01 1.94 2.888771800e+01 6.566196367e+01 7.522965513e+01 1.96 2.606347754e+01 6.044330900e+01 7.022717719e+01 1.98 2.342742076e+01 5.558115800e+01 6.552062569e+01 2.00 2.097333077e+01 5.104554486e+01 6.106351305e+01 2.02 1.869501523e+01 4.680853661e+01 5.683047990e+01 2.04 1.658577747e+01 4.284572362e+01 5.280921136e+01 2.06 1.463835328e+01 3.913733908e+01 4.899327937e+01 2.08 1.284492210e+01 3.566850135e+01 4.537751175e+01 2.10 1.119714966e+01 3.242826748e+01 4.195654168e+01 2.12 9.686282408e+00 2.940779460e+01 3.872467365e+01 2.14 8.303306756e+00 2.659857205e+01 3.567584829e+01 2.16 7.039182866e+00 2.399154373e+01 3.280360721e+01 2.18 5.885151431e+00 2.157696449e+01 3.010107662e+01 2.20 4.833090294e+00 1.934444627e+01 2.756097666e+01 2.22 3.875862548e+00 1.728303234e+01 2.517566354e+01 2.24 3.007556548e+00 1.538131770e+01 2.293721175e+01 2.26 2.223497359e+00 1.362763133e+01 2.083754236e+01 2.28 1.519957798e+00 1.201029193e+01 1.886860010e+01 2.30 8.936519445e-01 1.051794271e+01 1.702257475e+01 2.32 3.412733601e-01 9.139955389e+00 1.529215082e+01 2.34 -1.406949418e-01 7.866865663e+00 1.367075366e+01 2.36 -5.559656015e-01 6.690761279e+00 1.215274200e+01 2.38 -9.084127909e-01 5.605502380e+00 1.073348588e+01 2.40 -1.202056094e+00 4.606645062e+00 9.409278013e+00 2.42 -1.441043092e+00 3.691014426e+00 8.177072701e+00 2.44 -1.629626588e+00 2.856054662e+00 7.034126871e+00 2.46 -1.772136190e+00 2.099262037e+00 5.977684832e+00 2.48 -1.872944218e+00 1.417940041e+00 5.004818711e+00 2.50 -1.936426084e+00 8.091950288e-01 4.112406109e+00 2.52 -1.966915569e+00 2.699623502e-01 3.297149585e+00 2.54 -1.968655734e+00 -2.029887753e-01 2.555595214e+00 2.56 -1.945746631e+00 -6.130520215e-01 1.884155821e+00 2.58 -1.902091502e+00 -9.637770155e-01 1.279143901e+00 2.60 -1.841343800e+00 -1.258858088e+00 7.368152749e-01 2.62 -1.766858138e+00 -1.502118264e+00 2.534234887e-01 2.64 -1.681649142e+00 -1.697488087e+00 -1.747163959e-01 2.66 -1.588363074e+00 -1.848978933e+00 -5.511579925e-01 2.68 -1.489267745e+00 -1.960650588e+00 -8.792540305e-01 2.70 -1.386266195e+00 -2.036573068e+00 -1.162096780e+00 2.72 -1.280938175e+00 -2.080782878e+00 -1.402481474e+00 2.74 -1.174609593e+00 -2.097234331e+00 -1.602906978e+00 2.76 -1.068443056e+00 -2.089747002e+00 -1.765624185e+00 2.78 -9.635328408e-01 -2.061951021e+00 -1.892730630e+00 2.80 -8.609784977e-01 -2.017232717e+00 -1.986289680e+00 2.82 -7.619101876e-01 -1.958683941e+00 -2.048433424e+00 2.84 -6.674544415e-01 -1.889059337e+00 -2.081410316e+00 2.86 -5.786595241e-01 -1.810746525e+00 -2.087574480e+00 2.88 -4.964213018e-01 -1.725754395e+00 -2.069353685e+00 2.90 -4.214364411e-01 -1.635724058e+00 -2.029226739e+00 2.92 -3.541780547e-01 -1.541964871e+00 -1.969708865e+00 2.94 -2.948812980e-01 -1.445514192e+00 -1.893337024e+00 2.96 -2.435359872e-01 -1.347214303e+00 -1.802653364e+00 2.98 -1.998880755e-01 -1.247795002e+00 -1.700186759e+00 3.00 -1.634526552e-01 -1.147948299e+00 -1.588432564e+00 3.02 -1.335413096e-01 -1.048384587e+00 -1.469830772e+00 3.04 -1.093062308e-01 -9.498654861e-01 -1.346742841e+00 3.06 -8.980205541e-02 -8.532111166e-01 -1.221427531e+00 3.08 -7.406324302e-02 -7.592790551e-01 -1.096016168e+00 3.10 -6.118967618e-02 -6.689201955e-01 -9.724878426e-01 3.12 -5.042656827e-02 -5.829312121e-01 -8.526451407e-01 3.14 -4.121930295e-02 -5.020217676e-01 -7.380910407e-01 3.16 -3.322458222e-02 -4.267964617e-01 -6.302077210e-01 3.18 -2.627178762e-02 -3.577426938e-01 -5.301380499e-01 3.20 -2.029171082e-02 -2.952203734e-01 -4.387705934e-01 3.22 -1.524800808e-02 -2.394533816e-01 -3.567290224e-01 3.24 -1.109826077e-02 -1.905234421e-01 -2.843668491e-01 3.26 -7.782497944e-03 -1.483672120e-01 -2.217684761e-01 3.28 -5.222970967e-03 -1.127775024e-01 -1.687575774e-01 3.30 -3.326733945e-03 -8.340960557e-02 -1.249138275e-01 3.32 -1.989701906e-03 -5.979365207e-02 -8.959886932e-02 3.34 -1.102118091e-03 -4.135368449e-02 -6.199205526e-02 3.36 -5.551752007e-04 -2.743360024e-02 -4.113576534e-02 3.38 -2.481726006e-04 -1.732921675e-02 -2.598887706e-02 3.40 -9.517863347e-05 -1.032448047e-02 -1.548526993e-02 3.42 -2.985470407e-05 -5.728525016e-03 -8.592430297e-03 3.44 -7.140508112e-06 -2.909415701e-03 -4.364052766e-03 3.46 -1.170058502e-06 -1.320668494e-03 -1.980992083e-03 3.48 -1.106046389e-07 -5.182429475e-04 -7.773632948e-04 3.50 -4.491199369e-09 -1.677163054e-04 -2.515743833e-04 3.52 -4.512594638e-11 -4.181577892e-05 -6.272366573e-05 3.54 -3.498470893e-14 -7.247745981e-06 -1.087161893e-05 3.56 -1.082750267e-19 -7.411928052e-07 -1.111789208e-06 3.58 -4.117229990e-32 -3.380101520e-08 -5.070152280e-08 3.60 -2.757815590e-86 -4.083799456e-10 -6.125699183e-10 3.62 0.000000000e+00 -4.390917764e-13 -6.586376646e-13 3.64 0.000000000e+00 -2.723780329e-18 -4.085670494e-18 3.66 0.000000000e+00 -8.405966264e-30 -1.260894940e-29 3.68 0.000000000e+00 -1.359505568e-76 -2.039258353e-76 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 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