# 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 = S3Se # 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 2.324229265e+04 nan nan 0.88 2.023172446e+04 nan nan 0.90 1.765622631e+04 nan nan 0.92 1.545131357e+04 nan nan 0.94 1.355860637e+04 2.299299070e+04 nan 0.96 1.192802151e+04 2.021514277e+04 2.407662119e+04 0.98 1.051885910e+04 1.781461137e+04 2.124382207e+04 1.00 9.296459087e+03 1.574615486e+04 1.878543416e+04 1.02 8.233099534e+03 1.396384044e+04 1.664558662e+04 1.04 7.305784488e+03 1.242186339e+04 1.478040000e+04 1.06 6.493076482e+03 1.107881331e+04 1.315273907e+04 1.08 5.776616746e+03 9.900315137e+03 1.172687630e+04 1.10 5.142897695e+03 8.860098414e+03 1.047222868e+04 1.12 4.582029901e+03 7.937174132e+03 9.365934314e+03 1.14 4.086120553e+03 7.114208461e+03 8.390255025e+03 1.16 3.648582769e+03 6.378644142e+03 7.530002020e+03 1.18 3.263808950e+03 5.721554259e+03 6.770971481e+03 1.20 2.926466937e+03 5.135300012e+03 6.099697585e+03 1.22 2.631096654e+03 4.613048345e+03 5.503967896e+03 1.24 2.372278843e+03 4.148947931e+03 4.973490401e+03 1.26 2.144888734e+03 3.737724323e+03 4.500342914e+03 1.28 1.944413811e+03 3.374147647e+03 4.078145803e+03 1.30 1.767095182e+03 3.053022946e+03 3.701244936e+03 1.32 1.609609855e+03 2.769517715e+03 3.364718324e+03 1.34 1.468791851e+03 2.519151769e+03 3.064172890e+03 1.36 1.341700250e+03 2.297536830e+03 2.795294034e+03 1.38 1.225905902e+03 2.100478246e+03 2.553890899e+03 1.40 1.119686492e+03 1.924308769e+03 2.336288275e+03 1.42 1.021925135e+03 1.765976066e+03 2.139449215e+03 1.44 9.319294717e+02 1.622888341e+03 1.960727376e+03 1.46 8.492927237e+02 1.492812322e+03 1.797756648e+03 1.48 7.737053638e+02 1.373820204e+03 1.648649980e+03 1.50 7.048128281e+02 1.264264411e+03 1.512115574e+03 1.52 6.421819664e+02 1.162811676e+03 1.387251370e+03 1.54 5.853073180e+02 1.068499332e+03 1.273212824e+03 1.56 5.336330376e+02 9.807185632e+02 1.169083383e+03 1.58 4.865913956e+02 8.991058632e+02 1.073909462e+03 1.60 4.436521044e+02 8.234104310e+02 9.867694036e+02 1.62 4.043630219e+02 7.533901389e+02 9.068315731e+02 1.64 3.683582005e+02 6.887807164e+02 8.333780323e+02 1.66 3.353369439e+02 6.293069500e+02 7.657984759e+02 1.68 3.050479030e+02 5.747012059e+02 7.035667570e+02 1.70 2.772829844e+02 5.247174068e+02 6.462060939e+02 1.72 2.518665515e+02 4.791302501e+02 5.932807934e+02 1.74 2.286497007e+02 4.377177895e+02 5.444239599e+02 1.76 2.075115908e+02 4.002421528e+02 4.993600995e+02 1.78 1.883531576e+02 3.664421632e+02 4.578918501e+02 1.80 1.710810230e+02 3.360343426e+02 4.198543582e+02 1.82 1.555939902e+02 3.087177918e+02 3.850745357e+02 1.84 1.417790235e+02 2.841821010e+02 3.533583322e+02 1.86 1.295117638e+02 2.621159439e+02 3.244928401e+02 1.88 1.186582074e+02 2.422148752e+02 2.982525384e+02 1.90 1.090773636e+02 2.241903779e+02 2.744085960e+02 1.92 1.006248725e+02 2.077818736e+02 2.527406135e+02 1.94 9.315713990e+01 1.927661317e+02 2.330484841e+02 1.96 8.653500126e+01 1.789567805e+02 2.151599794e+02 1.98 8.062582082e+01 1.661962636e+02 1.989292562e+02 2.00 7.530425089e+01 1.543504272e+02 1.842258743e+02 2.02 7.045411220e+01 1.433102123e+02 1.709219994e+02 2.04 6.597333106e+01 1.329960269e+02 1.588865941e+02 2.06 6.177977741e+01 1.233579893e+02 1.479861684e+02 2.08 5.781448471e+01 1.143679705e+02 1.380881383e+02 2.10 5.404075704e+01 1.060070210e+02 1.290657493e+02 2.12 5.043927299e+01 9.825630066e+01 1.208032058e+02 2.14 4.700048240e+01 9.109417460e+01 1.131983284e+02 2.16 4.371785978e+01 8.449575384e+01 1.061610967e+02 2.18 4.058513258e+01 7.843266851e+01 9.960987792e+01 2.20 3.759605782e+01 7.287291105e+01 9.346990864e+01 2.22 3.474457042e+01 6.778080972e+01 8.767606071e+01 2.24 3.202493212e+01 6.311720087e+01 8.217712920e+01 2.26 2.943190139e+01 5.883988641e+01 7.693838588e+01 2.28 2.696090400e+01 5.490447433e+01 7.194054855e+01 2.30 2.460816626e+01 5.126569017e+01 6.717504499e+01 2.32 2.237076175e+01 4.787919560e+01 6.263801928e+01 2.34 2.024652905e+01 4.470383066e+01 5.832645386e+01 2.36 1.823385589e+01 4.170399376e+01 5.423706414e+01 2.38 1.633139375e+01 3.885162151e+01 5.036619593e+01 2.40 1.453782026e+01 3.612706255e+01 4.670976629e+01 2.42 1.285173000e+01 3.351831159e+01 4.326319162e+01 2.44 1.127161822e+01 3.101879334e+01 4.002131740e+01 2.46 9.795876066e+00 2.862484268e+01 3.697835247e+01 2.48 8.422774830e+00 2.633413035e+01 3.412781093e+01 2.50 7.150447559e+00 2.414508519e+01 3.146246575e+01 2.52 5.976871372e+00 2.205657552e+01 2.897431971e+01 2.54 4.899850694e+00 2.006761192e+01 2.665460033e+01 2.56 3.917001688e+00 1.817718098e+01 2.449378741e+01 2.58 3.025738133e+00 1.638420917e+01 2.248168265e+01 2.60 2.223259081e+00 1.468756435e+01 2.060753196e+01 2.62 1.506538631e+00 1.308604697e+01 1.886021013e+01 2.64 8.723182149e-01 1.157837542e+01 1.722847477e+01 2.66 3.171018475e-01 1.016317107e+01 1.570128962e+01 2.68 -1.628452226e-01 8.838943815e+00 1.426820474e+01 2.70 -5.714939461e-01 7.604078086e+00 1.291976295e+01 2.72 -9.130444959e-01 6.456819630e+00 1.164787797e+01 2.74 -1.191914370e+00 5.395263213e+00 1.044610673e+01 2.76 -1.412721088e+00 4.417341507e+00 9.309730721e+00 2.78 -1.580259046e+00 3.520815459e+00 8.235588382e+00 2.80 -1.699470147e+00 2.703266476e+00 7.221680154e+00 2.82 -1.775407972e+00 1.962090823e+00 6.266679570e+00 2.84 -1.813195367e+00 1.294496661e+00 5.369544208e+00 2.86 -1.817975535e+00 6.975042288e-01 4.529330381e+00 2.88 -1.794856967e+00 1.679496687e-01 3.745136104e+00 2.90 -1.748852803e+00 -2.975069176e-01 3.016054569e+00 2.92 -1.684815579e+00 -7.023686430e-01 2.341122819e+00 2.94 -1.607368627e+00 -1.050283688e+00 1.719292499e+00 2.96 -1.520835832e+00 -1.345021371e+00 1.149425411e+00 2.98 -1.429171814e+00 -1.590442125e+00 6.302983045e-01 3.00 -1.335895050e+00 -1.790461317e+00 1.606040007e-01 3.02 -1.244026883e+00 -1.949007253e+00 -2.610515773e-01 3.04 -1.156039850e+00 -2.069974273e+00 -6.361529674e-01 3.06 -1.073819287e+00 -2.157172633e+00 -9.662780705e-01 3.08 -9.986427897e-01 -2.214277828e+00 -1.253100183e+00 3.10 -9.311826534e-01 -2.244783118e+00 -1.498389037e+00 3.12 -8.715367826e-01 -2.251959987e+00 -1.704010727e+00 3.14 -8.192930292e-01 -2.238831713e+00 -1.871926380e+00 3.16 -7.736296444e-01 -2.208164470e+00 -2.004189453e+00 3.18 -7.334491882e-01 -2.162477636e+00 -2.102941505e+00 3.20 -6.975340168e-01 -2.104069784e+00 -2.170406336e+00 3.22 -6.646996178e-01 -2.035050088e+00 -2.208882370e+00 3.24 -6.339132906e-01 -1.957359986e+00 -2.220733176e+00 3.26 -6.043505989e-01 -1.872772719e+00 -2.208376060e+00 3.28 -5.753888989e-01 -1.782872274e+00 -2.174268694e+00 3.30 -5.465740164e-01 -1.689030350e+00 -2.120893751e+00 3.32 -5.176035913e-01 -1.592402382e+00 -2.050741635e+00 3.34 -4.883297172e-01 -1.493948568e+00 -1.966291378e+00 3.36 -4.587480209e-01 -1.394474434e+00 -1.869989915e+00 3.38 -4.289576197e-01 -1.294684253e+00 -1.764229981e+00 3.40 -3.991099907e-01 -1.195238675e+00 -1.651326990e+00 3.42 -3.693728895e-01 -1.096803780e+00 -1.533495349e+00 3.44 -3.399162080e-01 -1.000077185e+00 -1.412824758e+00 3.46 -3.109087149e-01 -9.057819039e-01 -1.291257160e+00 3.48 -2.825167896e-01 -8.146316609e-01 -1.170565132e+00 3.50 -2.549031082e-01 -7.272859291e-01 -1.052332602e+00 3.52 -2.282251342e-01 -6.443154909e-01 -9.379388948e-01 3.54 -2.026334056e-01 -5.661853844e-01 -8.285472233e-01 3.56 -1.782696148e-01 -4.932489474e-01 -7.250987771e-01 3.58 -1.552644829e-01 -4.257473600e-01 -6.283135700e-01 3.60 -1.337354420e-01 -3.638137901e-01 -5.386990291e-01 3.62 -1.137841478e-01 -3.074825153e-01 -4.565668849e-01 3.64 -9.549386443e-02 -2.567029769e-01 -3.820580760e-01 3.66 -7.892678518e-02 -2.113577985e-01 -3.151739976e-01 3.68 -6.412138103e-02 -1.712825026e-01 -2.558104893e-01 3.70 -5.108990587e-02 -1.362832235e-01 -2.037888396e-01 3.72 -3.981623114e-02 -1.061477847e-01 -1.588767246e-01 3.74 -3.025423292e-02 -8.064616810e-02 -1.207930397e-01 3.76 -2.232700806e-02 -5.951968900e-02 -8.919555771e-02 3.78 -1.592724454e-02 -4.246378690e-02 -6.365877135e-02 3.80 -1.091910202e-02 -2.911403053e-02 -4.365629310e-02 3.82 -7.141949414e-03 -1.904392094e-02 -2.856061169e-02 3.84 -4.416226652e-03 -1.177620548e-02 -1.766266267e-02 3.86 -2.551509854e-03 -6.803920403e-03 -1.020544388e-02 3.88 -1.356526281e-03 -3.617380393e-03 -5.425975623e-03 3.90 -6.503740974e-04 -1.734327019e-03 -2.601474411e-03 3.92 -2.735991888e-04 -7.295973522e-04 -1.094394029e-03 3.94 -9.722622840e-05 -2.592699023e-04 -3.889046880e-04 3.96 -2.764282029e-05 -7.371418550e-05 -1.105712702e-04 3.98 -5.801971386e-06 -1.547192365e-05 -2.320788529e-05 4.00 -7.938159069e-07 -2.116842418e-06 -3.175263626e-06 4.02 -5.777415062e-08 -1.540644016e-07 -2.310966025e-07 4.04 -1.566327991e-09 -4.176874643e-09 -6.265311965e-09 4.06 -7.960879009e-12 -2.122901069e-11 -3.184351604e-11 4.08 -1.666590775e-15 -4.444242067e-15 -6.666363100e-15 4.10 -2.299823888e-22 -6.132863703e-22 -9.199295554e-22 4.12 -1.143537780e-39 -3.049434080e-39 -4.574151120e-39 4.14 -3.507228806e-167 -9.352610149e-167 -1.402891522e-166 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 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