# 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 = Cd3Te # 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 1.634556203e+04 nan nan 0.88 1.419909327e+04 nan nan 0.90 1.238217682e+04 nan nan 0.92 1.083946649e+04 nan nan 0.94 9.523019692e+03 1.618541719e+04 nan 0.96 8.392492846e+03 1.424658792e+04 1.688047073e+04 0.98 7.414365808e+03 1.256952280e+04 1.490055014e+04 1.00 6.564040774e+03 1.111412946e+04 1.319135551e+04 1.02 5.822100973e+03 9.849862540e+03 1.171336271e+04 1.04 5.172162979e+03 8.750294117e+03 1.042967863e+04 1.06 4.601766194e+03 7.792091306e+03 9.308993660e+03 1.08 4.100727645e+03 6.956151643e+03 8.325854889e+03 1.10 3.659677229e+03 6.226429266e+03 7.457855791e+03 1.12 3.270916736e+03 5.587681316e+03 6.686483564e+03 1.14 2.928645885e+03 5.025082977e+03 5.999150636e+03 1.16 2.627531147e+03 4.524980656e+03 5.387269246e+03 1.18 2.361919208e+03 4.076718903e+03 4.842927580e+03 1.20 2.126373126e+03 3.673850130e+03 4.358286478e+03 1.22 1.916488270e+03 3.312611729e+03 3.926312576e+03 1.24 1.729002152e+03 2.989683807e+03 3.541303634e+03 1.26 1.561274431e+03 2.701463047e+03 3.198498945e+03 1.28 1.410984116e+03 2.444162761e+03 2.893514964e+03 1.30 1.276050537e+03 2.213998580e+03 2.622129948e+03 1.32 1.154685767e+03 2.007395512e+03 2.380199249e+03 1.34 1.045483779e+03 1.821348689e+03 2.163903335e+03 1.36 9.473667140e+02 1.653761922e+03 1.970159067e+03 1.38 8.594067782e+02 1.503292654e+03 1.796630931e+03 1.40 7.807034078e+02 1.368797677e+03 1.641319410e+03 1.42 7.103270490e+02 1.249005596e+03 1.502278800e+03 1.44 6.472859886e+02 1.142487036e+03 1.377570694e+03 1.46 5.905458180e+02 1.047703335e+03 1.265294181e+03 1.48 5.391329716e+02 9.630741776e+02 1.163614608e+03 1.50 4.922736936e+02 8.870472534e+02 1.070829884e+03 1.52 4.494650222e+02 8.181606048e+02 9.855467334e+02 1.54 4.104030043e+02 7.551107292e+02 9.068493582e+02 1.56 3.748533794e+02 6.968318401e+02 8.342500921e+02 1.58 3.425902265e+02 6.425479188e+02 7.674505738e+02 1.60 3.133808814e+02 5.917610799e+02 7.061687262e+02 1.62 2.869834704e+02 5.441899410e+02 6.500907640e+02 1.64 2.631486775e+02 4.996932498e+02 5.988653480e+02 1.66 2.416194487e+02 4.581907974e+02 5.521107277e+02 1.68 2.221308378e+02 4.196161045e+02 5.094270216e+02 1.70 2.044169438e+02 3.839006953e+02 4.704098321e+02 1.72 1.882270840e+02 3.509661217e+02 4.346613351e+02 1.74 1.733461104e+02 3.207204979e+02 4.017971351e+02 1.76 1.596114405e+02 2.930578923e+02 3.714544793e+02 1.78 1.469168160e+02 2.678586721e+02 3.433111348e+02 1.80 1.351954263e+02 2.449905539e+02 3.171108710e+02 1.82 1.243938767e+02 2.243104482e+02 2.926751277e+02 1.84 1.144586375e+02 2.056670945e+02 2.698870252e+02 1.86 1.053347244e+02 1.889042635e+02 2.486603241e+02 1.88 9.696690317e+01 1.738639772e+02 2.289207521e+02 1.90 8.930081239e+01 1.603889456e+02 2.106035318e+02 1.92 8.228354552e+01 1.483236641e+02 1.936532600e+02 1.94 7.586352525e+01 1.375147188e+02 1.780206685e+02 1.96 6.999014402e+01 1.278120166e+02 1.636572203e+02 1.98 6.461415085e+01 1.190720520e+02 1.505105924e+02 2.00 5.968914014e+01 1.111620773e+02 1.385228592e+02 2.02 5.517329460e+01 1.039627754e+02 1.276303755e+02 2.04 5.103028411e+01 9.736825788e+01 1.177641567e+02 2.06 4.722863520e+01 9.128507462e+01 1.088505533e+02 2.08 4.373963531e+01 8.563352645e+01 1.008122854e+02 2.10 4.053493881e+01 8.035159753e+01 9.356988921e+01 2.12 3.758540685e+01 7.539701446e+01 8.704357303e+01 2.14 3.486151390e+01 7.074345132e+01 8.115535859e+01 2.16 3.233454136e+01 6.637243208e+01 7.583119142e+01 2.18 2.997802848e+01 6.226680334e+01 7.100250418e+01 2.20 2.776924050e+01 5.840869948e+01 6.660667807e+01 2.22 2.569032841e+01 5.477968747e+01 6.258622725e+01 2.24 2.372876482e+01 5.136128467e+01 5.888737521e+01 2.26 2.187667411e+01 4.813562133e+01 5.545941170e+01 2.28 2.012907976e+01 4.508619720e+01 5.225589122e+01 2.30 1.848196007e+01 4.219861519e+01 4.923738542e+01 2.32 1.693121836e+01 3.946111024e+01 4.637423622e+01 2.34 1.547251870e+01 3.686466683e+01 4.364750905e+01 2.36 1.410133859e+01 3.440259723e+01 4.104716010e+01 2.38 1.281304170e+01 3.206967363e+01 3.856815695e+01 2.40 1.160297826e+01 2.986117752e+01 3.620695440e+01 2.42 1.046661417e+01 2.777227996e+01 3.395998533e+01 2.44 9.399680876e+00 2.579784656e+01 3.182344333e+01 2.46 8.398328275e+00 2.393244355e+01 2.979328457e+01 2.48 7.459251210e+00 2.217037928e+01 2.786523410e+01 2.50 6.579751668e+00 2.050576502e+01 2.603480604e+01 2.52 5.757702392e+00 1.893260461e+01 2.429734155e+01 2.54 4.991403852e+00 1.744491682e+01 2.264806764e+01 2.56 4.279375517e+00 1.603689060e+01 2.108217833e+01 2.58 3.620165957e+00 1.470306712e+01 1.959493772e+01 2.60 3.012252245e+00 1.343853270e+01 1.818180092e+01 2.62 2.454020917e+00 1.223909491e+01 1.683854364e+01 2.64 1.943773144e+00 1.110140254e+01 1.556138456e+01 2.66 1.479726666e+00 1.002296645e+01 1.434707851e+01 2.68 1.060016765e+00 9.002053288e+00 1.319295474e+01 2.70 6.826988085e-01 8.037463756e+00 1.209687940e+01 2.72 3.457526970e-01 7.128263744e+00 1.105713794e+01 2.74 4.708938396e-02 6.273568082e+00 1.007226269e+01 2.76 -2.154403901e-01 5.472437286e+00 9.140860086e+00 2.78 -4.440350281e-01 4.723858721e+00 8.261494598e+00 2.80 -6.409285888e-01 4.026748068e+00 7.432648003e+00 2.82 -8.083748521e-01 3.379946468e+00 6.652722882e+00 2.84 -9.486289786e-01 2.782216134e+00 5.920054426e+00 2.86 -1.063926911e+00 2.232236560e+00 5.232922029e+00 2.88 -1.156462801e+00 1.728601604e+00 4.589564015e+00 2.90 -1.228364918e+00 1.269817602e+00 3.988196819e+00 2.92 -1.281670763e+00 8.543026356e-01 3.427038649e+00 2.94 -1.318302368e+00 4.803871517e-01 2.904337044e+00 2.96 -1.340043190e+00 1.463160786e-01 2.418399083e+00 2.98 -1.348518381e+00 -1.497473761e-01 1.967622012e+00 3.00 -1.345180717e+00 -4.097160835e-01 1.550521005e+00 3.02 -1.331304756e+00 -6.355713581e-01 1.165749750e+00 3.04 -1.307991974e+00 -8.293532094e-01 8.121089767e-01 3.06 -1.276189124e+00 -9.931484134e-01 4.885385919e-01 3.08 -1.236720829e+00 -1.129076410e+00 1.940914533e-01 3.10 -1.190334932e+00 -1.239273139e+00 -7.210864805e-02 3.12 -1.137755465e+00 -1.325873061e+00 -3.109162725e-01 3.14 -1.079733973e+00 -1.390989807e+00 -5.232079140e-01 3.16 -1.017087132e+00 -1.436696073e+00 -7.099083516e-01 3.18 -9.507100129e-01 -1.465003648e+00 -8.719974956e-01 3.20 -8.815622164e-01 -1.477844672e+00 -1.010506349e+00 3.22 -8.106360121e-01 -1.477055343e+00 -1.126512327e+00 3.24 -7.389229197e-01 -1.464363367e+00 -1.221136815e+00 3.26 -6.673895852e-01 -1.441380130e+00 -1.295543224e+00 3.28 -5.969616287e-01 -1.409598019e+00 -1.350934547e+00 3.30 -5.285097846e-01 -1.370392257e+00 -1.388550206e+00 3.32 -4.628358857e-01 -1.325025333e+00 -1.409662185e+00 3.34 -4.006585877e-01 -1.274650933e+00 -1.415570399e+00 3.36 -3.425991877e-01 -1.220314074e+00 -1.407597293e+00 3.38 -2.891679975e-01 -1.162945844e+00 -1.387081661e+00 3.40 -2.407518375e-01 -1.103354902e+00 -1.355371694e+00 3.42 -1.976033465e-01 -1.042222138e+00 -1.313817280e+00 3.44 -1.598329589e-01 -9.801059266e-01 -1.263761597e+00 3.46 -1.274045917e-01 -9.174615406e-01 -1.206532085e+00 3.48 -1.001362977e-01 -8.546724226e-01 -1.143430856e+00 3.50 -7.770734646e-02 -7.920872388e-01 -1.075724700e+00 3.52 -5.967329384e-02 -7.300543813e-01 -1.004634808e+00 3.54 -4.549043967e-02 -6.689442516e-01 -9.313264155e-01 3.56 -3.455037068e-02 -6.091518600e-01 -8.568985744e-01 3.58 -2.622372299e-02 -5.510801088e-01 -7.823743106e-01 3.60 -1.990962465e-02 -4.951142716e-01 -7.086914557e-01 3.62 -1.508368396e-02 -4.416013966e-01 -6.366944733e-01 3.64 -1.133403693e-02 -3.908399564e-01 -5.671276306e-01 3.66 -8.374411471e-03 -3.430758059e-01 -5.006298831e-01 3.68 -6.028641908e-03 -2.985004399e-01 -4.377318414e-01 3.70 -4.193255658e-03 -2.572506506e-01 -3.788551610e-01 3.72 -2.796894668e-03 -2.194096842e-01 -3.243146195e-01 3.74 -1.774786922e-03 -1.850099906e-01 -2.743230043e-01 3.76 -1.061164504e-03 -1.540375160e-01 -2.289987011e-01 3.78 -5.905663165e-04 -1.264372676e-01 -1.883755356e-01 3.80 -3.011011207e-04 -1.021195959e-01 -1.524139910e-01 3.82 -1.377267662e-04 -8.096633589e-02 -1.210124593e-01 3.84 -5.494539435e-05 -6.283571605e-02 -9.401683565e-02 3.86 -1.838800245e-05 -4.756495603e-02 -7.122677366e-02 3.88 -4.884299026e-06 -3.496991812e-02 -5.239757979e-02 3.90 -9.493523031e-07 -2.484218726e-02 -3.723823241e-02 3.92 -1.192124060e-07 -1.694536195e-02 -2.540810912e-02 3.94 -7.910632082e-09 -1.101350702e-02 -1.651675160e-02 3.96 -1.961464197e-10 -6.754701453e-03 -1.013097352e-02 3.98 -9.456071312e-13 -3.860984305e-03 -5.791196376e-03 4.00 -2.195200707e-16 -2.023700462e-03 -3.035491614e-03 4.02 -6.631785114e-23 -9.517794026e-04 -1.427659494e-03 4.04 -5.259862584e-38 -3.899597531e-04 -5.849385069e-04 4.06 -3.424981933e-111 -1.335347487e-04 -2.003020377e-04 4.08 0.000000000e+00 -3.599431168e-05 -5.399146387e-05 4.10 0.000000000e+00 -6.980082890e-06 -1.047012426e-05 4.12 0.000000000e+00 -8.452617958e-07 -1.267892693e-06 4.14 0.000000000e+00 -5.046547833e-08 -7.569821749e-08 4.16 0.000000000e+00 -9.699529784e-10 -1.454929468e-09 4.18 0.000000000e+00 -2.552363843e-12 -3.828545764e-12 4.20 0.000000000e+00 -1.239681094e-16 -1.859521641e-16 4.22 0.000000000e+00 -2.598250091e-25 -3.897375137e-25 4.24 0.000000000e+00 -9.240118280e-52 -1.386017742e-51 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 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