# 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 = S2Se # 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 2.044021889e+04 0.88 1.777997200e+04 0.90 1.550443691e+04 0.92 1.354408224e+04 0.94 1.185225546e+04 0.96 1.039424624e+04 0.98 9.141423629e+03 1.00 8.067662326e+03 1.02 7.147363646e+03 1.04 6.355254038e+03 1.06 5.667523224e+03 1.08 5.063639483e+03 1.10 4.528813433e+03 1.12 4.052931289e+03 1.14 3.628406972e+03 1.16 3.249398175e+03 1.18 2.910648089e+03 1.20 2.607151817e+03 1.22 2.334834079e+03 1.24 2.090958145e+03 1.26 1.873775625e+03 1.28 1.681734248e+03 1.30 1.512982537e+03 1.32 1.365303793e+03 1.34 1.236198719e+03 1.36 1.123058045e+03 1.38 1.023400625e+03 1.40 9.350638001e+02 1.42 8.562026290e+02 1.44 7.851743704e+02 1.46 7.205421062e+02 1.48 6.611576799e+02 1.50 6.061912782e+02 1.52 5.551071455e+02 1.54 5.076176351e+02 1.56 4.635782040e+02 1.58 4.228693625e+02 1.60 3.853524151e+02 1.62 3.508680767e+02 1.64 3.192430627e+02 1.66 2.903005205e+02 1.68 2.638723628e+02 1.70 2.398085171e+02 1.72 2.179765562e+02 1.74 1.982504182e+02 1.76 1.804972569e+02 1.78 1.645705203e+02 1.80 1.503071425e+02 1.82 1.375274431e+02 1.84 1.260390414e+02 1.86 1.156450694e+02 1.88 1.061565598e+02 1.90 9.740782061e+01 1.92 8.927085242e+01 1.94 8.166222823e+01 1.96 7.453737639e+01 1.98 6.787553346e+01 2.00 6.166566166e+01 2.02 5.589871120e+01 2.04 5.056479020e+01 2.06 4.565263532e+01 2.08 4.114947967e+01 2.10 3.704092213e+01 2.12 3.331081046e+01 2.14 2.994114567e+01 2.16 2.691201553e+01 2.18 2.420156886e+01 2.20 2.178604793e+01 2.22 1.963990334e+01 2.24 1.773602471e+01 2.26 1.604612903e+01 2.28 1.454135254e+01 2.30 1.319308351e+01 2.32 1.197404042e+01 2.34 1.085952847e+01 2.36 9.828693118e+00 2.38 8.865456163e+00 2.40 7.958754980e+00 2.42 7.101853249e+00 2.44 6.290942970e+00 2.46 5.523760916e+00 2.48 4.798847693e+00 2.50 4.115290040e+00 2.52 3.472475655e+00 2.54 2.869842577e+00 2.56 2.306767111e+00 2.58 1.782572776e+00 2.60 1.296557141e+00 2.62 8.479954003e-01 2.64 4.361349800e-01 2.66 6.018951060e-02 2.68 -2.806670234e-01 2.70 -5.873059042e-01 2.72 -8.606490247e-01 2.74 -1.101673894e+00 2.76 -1.311418235e+00 2.78 -1.490984086e+00 2.80 -1.641541320e+00 2.82 -1.764330467e+00 2.84 -1.860664710e+00 2.86 -1.931930944e+00 2.88 -1.979589724e+00 2.90 -2.005173963e+00 2.92 -2.010286209e+00 2.94 -1.996594320e+00 2.96 -1.965825378e+00 2.98 -1.919757662e+00 3.00 -1.860210520e+00 3.02 -1.789032018e+00 3.04 -1.708084242e+00 3.06 -1.619226223e+00 3.08 -1.524294483e+00 3.10 -1.425081333e+00 3.12 -1.323311136e+00 3.14 -1.220614947e+00 3.16 -1.118504112e+00 3.18 -1.018343684e+00 3.20 -9.213267977e-01 3.22 -8.284515328e-01 3.24 -7.405021761e-01 3.26 -6.580372232e-01 3.28 -5.813867928e-01 3.30 -5.106622523e-01 3.32 -4.457805077e-01 3.34 -3.865042646e-01 3.36 -3.324972002e-01 3.38 -2.833891548e-01 3.40 -2.388414395e-01 3.42 -1.985977019e-01 3.44 -1.625047567e-01 3.46 -1.304946089e-01 3.48 -1.025347985e-01 3.50 -7.857104871e-02 3.52 -5.848754681e-02 3.54 -4.209151666e-02 3.56 -2.911239962e-02 3.58 -1.920782328e-02 3.60 -1.197513151e-02 3.62 -6.969039094e-03 3.64 -3.725475789e-03 3.66 -1.790473216e-03 3.68 -7.511668069e-04 3.70 -2.639244533e-04 3.72 -7.311802850e-05 3.74 -1.458196517e-05 3.76 -1.811817699e-06 3.78 -1.099240171e-07 3.80 -2.085364169e-09 3.82 -4.970102045e-12 3.84 -1.643633350e-16 3.86 -6.652381302e-26 3.88 -4.422293267e-58 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