# 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 = S2Te # 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 2.247622174e+04 0.88 1.955616352e+04 0.90 1.705735513e+04 0.92 1.490430130e+04 0.94 1.304841694e+04 0.96 1.145263520e+04 0.98 1.008204235e+04 1.00 8.903702170e+03 1.02 7.889146002e+03 1.04 7.013853525e+03 1.06 6.254927633e+03 1.08 5.590780379e+03 1.10 5.003712680e+03 1.12 4.481228850e+03 1.14 4.014879450e+03 1.16 3.598409967e+03 1.18 3.226308999e+03 1.20 2.893417668e+03 1.22 2.595319024e+03 1.24 2.328436533e+03 1.26 2.089987883e+03 1.28 1.877847324e+03 1.30 1.690022466e+03 1.32 1.524313495e+03 1.34 1.378363486e+03 1.36 1.249822057e+03 1.38 1.136514732e+03 1.40 1.036537464e+03 1.42 9.481609464e+02 1.44 8.696293375e+02 1.46 7.991376179e+02 1.48 7.350037067e+02 1.50 6.758864853e+02 1.52 6.209148594e+02 1.54 5.696373908e+02 1.56 5.218483685e+02 1.58 4.774244317e+02 1.60 4.362452132e+02 1.62 3.981747904e+02 1.64 3.630650668e+02 1.66 3.307653724e+02 1.68 3.011337114e+02 1.70 2.740445008e+02 1.72 2.493863117e+02 1.74 2.270488171e+02 1.76 2.069089939e+02 1.78 1.888253721e+02 1.80 1.726374019e+02 1.82 1.581664603e+02 1.84 1.452185393e+02 1.86 1.335893316e+02 1.88 1.230723692e+02 1.90 1.134704434e+02 1.92 1.046095547e+02 1.94 9.635290562e+01 1.96 8.860987215e+01 1.98 8.133340292e+01 2.00 7.450452742e+01 2.02 6.811413779e+01 2.04 6.215370652e+01 2.06 5.661357118e+01 2.08 5.148277296e+01 2.10 4.674891797e+01 2.12 4.239804706e+01 2.14 3.841452284e+01 2.16 3.478094182e+01 2.18 3.147808282e+01 2.20 2.848490894e+01 2.22 2.577864728e+01 2.24 2.333497946e+01 2.26 2.112838451e+01 2.28 1.913267915e+01 2.30 1.732179155e+01 2.32 1.567077062e+01 2.34 1.415696005e+01 2.36 1.276115071e+01 2.38 1.146839164e+01 2.40 1.026807904e+01 2.42 9.153102852e+00 2.44 8.118307382e+00 2.46 7.159056051e+00 2.48 6.270599778e+00 2.50 5.448107193e+00 2.52 4.686809782e+00 2.54 3.982107006e+00 2.56 3.329674591e+00 2.58 2.725582084e+00 2.60 2.166406767e+00 2.62 1.649322429e+00 2.64 1.172135153e+00 2.66 7.332394661e-01 2.68 3.314844613e-01 2.70 -3.402602139e-02 2.72 -3.641348188e-01 2.74 -6.597592901e-01 2.76 -9.219202202e-01 2.78 -1.151720529e+00 2.80 -1.350330605e+00 2.82 -1.518987723e+00 2.84 -1.658998357e+00 2.86 -1.771739821e+00 2.88 -1.858660871e+00 2.90 -1.921281132e+00 2.92 -1.961189169e+00 2.94 -1.980039042e+00 2.96 -1.979545157e+00 2.98 -1.961475242e+00 3.00 -1.927641288e+00 3.02 -1.879888272e+00 3.04 -1.820080573e+00 3.06 -1.750085969e+00 3.08 -1.671757200e+00 3.10 -1.586911169e+00 3.12 -1.497305957e+00 3.14 -1.404615977e+00 3.16 -1.310405832e+00 3.18 -1.216103639e+00 3.20 -1.122974976e+00 3.22 -1.032098933e+00 3.24 -9.443482337e-01 3.26 -8.603758586e-01 3.28 -7.806109927e-01 3.30 -7.052673255e-01 3.32 -6.343664455e-01 3.34 -5.677779423e-01 3.36 -5.052754293e-01 3.38 -4.466037284e-01 3.40 -3.915472172e-01 3.42 -3.399843734e-01 3.44 -2.919122390e-01 3.46 -2.474312286e-01 3.48 -2.066967564e-01 3.50 -1.698613317e-01 3.52 -1.370323650e-01 3.54 -1.082522113e-01 3.56 -8.349042833e-02 3.58 -6.263999585e-02 3.60 -4.551596629e-02 3.62 -3.185720583e-02 3.64 -2.133214758e-02 3.66 -1.354945854e-02 3.68 -8.074294633e-03 3.70 -4.450257519e-03 3.72 -2.226155705e-03 3.74 -9.851748410e-04 3.76 -3.722769159e-04 3.78 -1.141935574e-04 3.80 -2.638479754e-05 3.82 -4.091308685e-06 3.84 -3.527735201e-07 3.86 -1.217996697e-08 3.88 -8.972218967e-11 3.90 -3.551824542e-14 3.92 -1.840818983e-20 3.94 -5.519548272e-36 3.96 -1.660432065e-137 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