# 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 = 2013--Zhou-X-W--Zn-Cd-Hg-S-Se-Te--LAMMPS--ipr1 # composition = Cd3Hg # 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 1.421958155e+04 nan nan 0.80 1.222149046e+04 nan nan 0.82 1.054084984e+04 nan nan 0.84 9.119294690e+03 nan nan 0.86 7.911631760e+03 1.335275212e+04 nan 0.88 6.883263309e+03 1.164321774e+04 1.380508140e+04 0.90 6.006115482e+03 1.017512710e+04 1.206113618e+04 0.92 5.255653695e+03 8.909506798e+03 1.055981520e+04 0.94 4.611071923e+03 7.816393866e+03 9.266348681e+03 0.96 4.055811316e+03 6.873510396e+03 8.152414989e+03 0.98 3.576298241e+03 6.061181929e+03 7.193309300e+03 1.00 3.161388974e+03 5.360324362e+03 6.366829076e+03 1.02 2.801422838e+03 4.754127517e+03 5.653204178e+03 1.04 2.487672523e+03 4.228768098e+03 5.033761505e+03 1.06 2.212993654e+03 3.772113728e+03 4.491576298e+03 1.08 1.971947258e+03 3.372740726e+03 4.013774695e+03 1.10 1.760011694e+03 3.020170049e+03 3.591576930e+03 1.12 1.573174302e+03 2.706163160e+03 3.218238306e+03 1.14 1.408107659e+03 2.425518606e+03 2.887815065e+03 1.16 1.262238114e+03 2.175126767e+03 2.594909149e+03 1.18 1.133462386e+03 1.952542994e+03 2.334811146e+03 1.20 1.019765351e+03 1.755358924e+03 2.103484668e+03 1.22 9.191514591e+02 1.580991576e+03 1.897427871e+03 1.24 8.298148639e+02 1.426687989e+03 1.713589833e+03 1.26 7.502783025e+02 1.289741086e+03 1.549281116e+03 1.28 6.793651797e+02 1.167766700e+03 1.402262344e+03 1.30 6.160577345e+02 1.058858616e+03 1.270828533e+03 1.32 5.593904272e+02 9.615081274e+02 1.153601583e+03 1.34 5.084383465e+02 8.744577700e+02 1.049233797e+03 1.36 4.623675502e+02 7.966631114e+02 9.563076148e+02 1.38 4.204754305e+02 7.272317658e+02 8.733493947e+02 1.40 3.822043673e+02 6.652885418e+02 7.988746422e+02 1.42 3.471491355e+02 6.098948514e+02 7.314923053e+02 1.44 3.150460199e+02 5.600690540e+02 6.700539930e+02 1.46 2.857267549e+02 5.148577195e+02 6.137593231e+02 1.48 2.590561871e+02 4.734261933e+02 5.621225245e+02 1.50 2.348905552e+02 4.351344318e+02 5.148172365e+02 1.52 2.130675503e+02 3.995563233e+02 4.715518049e+02 1.54 1.934070962e+02 3.664355776e+02 4.320424566e+02 1.56 1.757146375e+02 3.356160580e+02 3.960189155e+02 1.58 1.597869532e+02 3.069805195e+02 3.632223564e+02 1.60 1.454206505e+02 2.804200914e+02 3.333927068e+02 1.62 1.324225850e+02 2.558322823e+02 3.062573151e+02 1.64 1.206201768e+02 2.331258861e+02 2.815328176e+02 1.66 1.098690414e+02 2.122228723e+02 2.589385232e+02 1.68 1.000565883e+02 1.930546240e+02 2.382153080e+02 1.70 9.110109212e+01 1.755540467e+02 2.191447961e+02 1.72 8.294430036e+01 1.596488414e+02 2.015608167e+02 1.74 7.553935350e+01 1.452589402e+02 1.853448273e+02 1.76 6.884142036e+01 1.322962473e+02 1.704059537e+02 1.78 6.280383693e+01 1.206649515e+02 1.566601189e+02 1.80 5.737763890e+01 1.102622051e+02 1.440213991e+02 1.82 5.251228066e+01 1.009792715e+02 1.324027543e+02 1.84 4.815668045e+01 9.270327090e+01 1.217193995e+02 1.86 4.426044134e+01 8.531962805e+01 1.118928199e+02 1.88 4.077504975e+01 7.871522039e+01 1.028545721e+02 1.90 3.765472129e+01 7.278199251e+01 9.454860415e+01 1.92 3.485655633e+01 6.742051428e+01 8.693072422e+01 1.94 3.233999032e+01 6.254286658e+01 7.996482994e+01 1.96 3.006616579e+01 5.807466255e+01 7.361757285e+01 1.98 2.799815902e+01 5.395661848e+01 6.785437147e+01 2.00 2.610224566e+01 5.014555787e+01 6.263795654e+01 2.02 2.434941557e+01 4.661322579e+01 5.792823518e+01 2.04 2.271628932e+01 4.334184035e+01 5.368244729e+01 2.06 2.118493410e+01 4.031822097e+01 4.985549331e+01 2.08 1.974163256e+01 3.752969945e+01 4.640051406e+01 2.10 1.837545590e+01 3.496273274e+01 4.326981662e+01 2.12 1.707763331e+01 3.260273088e+01 4.041623113e+01 2.14 1.584163349e+01 3.043408347e+01 3.779492502e+01 2.16 1.466309182e+01 2.844025250e+01 3.536556638e+01 2.18 1.353926632e+01 2.660395522e+01 3.309450547e+01 2.20 1.246834323e+01 2.490746184e+01 3.095638488e+01 2.22 1.144896179e+01 2.333302765e+01 2.893446872e+01 2.24 1.047997475e+01 2.186346645e+01 2.701926446e+01 2.26 9.560316398e+00 2.048284005e+01 2.520584156e+01 2.28 8.688951194e+00 1.917719406e+01 2.349113802e+01 2.30 7.864865716e+00 1.793520646e+01 2.187242195e+01 2.32 7.087063355e+00 1.674856682e+01 2.034686004e+01 2.34 6.354556295e+00 1.561190852e+01 1.891146586e+01 2.36 5.666357493e+00 1.452223391e+01 1.756307972e+01 2.38 5.021473014e+00 1.347800605e+01 1.629834946e+01 2.40 4.418894748e+00 1.247829297e+01 1.511371603e+01 2.42 3.857593548e+00 1.152229175e+01 1.400540488e+01 2.44 3.336512783e+00 1.060921414e+01 1.296942607e+01 2.46 2.854562379e+00 9.738293556e+00 1.200158463e+01 2.48 2.410613408e+00 8.908786830e+00 1.109750421e+01 2.50 2.003493238e+00 8.119968564e+00 1.025266634e+01 2.52 1.631981369e+00 7.371125135e+00 9.462468053e+00 2.54 1.294805994e+00 6.661548871e+00 8.722299397e+00 2.56 9.906414086e-01 5.990532388e+00 8.027641181e+00 2.58 7.181063376e-01 5.357363131e+00 7.374180349e+00 2.60 4.757632992e-01 4.761318084e+00 6.757936456e+00 2.62 2.621191149e-01 4.201658687e+00 6.175387238e+00 2.64 7.562666890e-02 3.677625973e+00 5.623575364e+00 2.66 -8.531196550e-02 3.188435888e+00 5.100173778e+00 2.68 -2.223409320e-01 2.733274971e+00 4.603486908e+00 2.70 -3.371444331e-01 2.311296291e+00 4.132374803e+00 2.72 -4.314389295e-01 1.921615679e+00 3.686107931e+00 2.74 -5.069636414e-01 1.563308450e+00 3.264189900e+00 2.76 -5.654693264e-01 1.235406520e+00 2.866204480e+00 2.78 -6.087053515e-01 9.368960771e-01 2.491731054e+00 2.80 -6.384051255e-01 6.667158802e-01 2.140326240e+00 2.82 -6.562700213e-01 4.237561654e-01 1.811532351e+00 2.84 -6.639519980e-01 2.068584224e-01 1.504882321e+00 2.86 -6.630352207e-01 1.481600559e-02 1.219898785e+00 2.88 -6.550170959e-01 -1.536242605e-01 9.560919415e-01 2.90 -6.412892699e-01 -2.997593826e-01 7.129574544e-01 2.92 -6.231193082e-01 -4.249262988e-01 4.899744842e-01 2.94 -6.016339676e-01 -5.304966724e-01 2.866038530e-01 2.96 -5.778051965e-01 -6.178702861e-01 1.022863630e-01 2.98 -5.524402481e-01 -6.884669585e-01 -6.355871530e-02 3.00 -5.261775136e-01 -7.437169345e-01 -2.115349672e-01 3.02 -4.994898246e-01 -7.850497400e-01 -3.422699467e-01 3.04 -4.726968895e-01 -8.138815507e-01 -4.564160612e-01 3.06 -4.459880275e-01 -8.316012013e-01 -5.546511900e-01 3.08 -4.194551986e-01 -8.395550665e-01 -6.376790268e-01 3.10 -3.931342743e-01 -8.390311774e-01 -7.062291048e-01 3.12 -3.670496076e-01 -8.312431031e-01 -7.610564817e-01 3.14 -3.412538569e-01 -8.173143260e-01 -8.029410523e-01 3.16 -3.158532881e-01 -7.982640615e-01 -8.326864576e-01 3.18 -2.910107931e-01 -7.749957048e-01 -8.511185689e-01 3.20 -2.669262751e-01 -7.482892885e-01 -8.590835068e-01 3.22 -2.438045505e-01 -7.187994404e-01 -8.574451803e-01 3.24 -2.218264826e-01 -6.870602482e-01 -8.470823213e-01 3.26 -2.011327534e-01 -6.534980296e-01 -8.288849955e-01 3.28 -1.818179807e-01 -6.184521413e-01 -8.037505832e-01 3.30 -1.639292853e-01 -5.822025313e-01 -7.725792286e-01 3.32 -1.474669953e-01 -5.450008445e-01 -7.362687655e-01 3.34 -1.323875501e-01 -5.070999434e-01 -6.957091351e-01 3.36 -1.186090468e-01 -4.687756166e-01 -6.517763359e-01 3.38 -1.060197761e-01 -4.303352844e-01 -6.053259509e-01 3.40 -9.448978183e-02 -3.921124521e-01 -5.571863192e-01 3.42 -8.388490520e-02 -3.544513824e-01 -5.081514307e-01 3.44 -7.408189092e-02 -3.176901776e-01 -4.589736515e-01 3.46 -6.498208742e-02 -2.821485728e-01 -4.103563970e-01 3.48 -5.652049637e-02 -2.481210356e-01 -3.629468900e-01 3.50 -4.866719117e-02 -2.158724101e-01 -3.173291649e-01 3.52 -4.142020674e-02 -1.856341518e-01 -2.740174849e-01 3.54 -3.479267927e-02 -1.576007180e-01 -2.334503635e-01 3.56 -2.879997320e-02 -1.319261722e-01 -1.959853876e-01 3.58 -2.345152821e-02 -1.087211281e-01 -1.618950580e-01 3.60 -1.874762670e-02 -8.805019051e-02 -1.313638714e-01 3.62 -1.467846643e-02 -6.993007604e-02 -1.044868887e-01 3.64 -1.122386158e-02 -5.432863530e-02 -8.127005151e-02 3.66 -8.353269365e-03 -4.116503242e-02 -6.163253315e-02 3.68 -6.026204198e-03 -3.031137069e-02 -4.541143454e-02 3.70 -4.193127786e-03 -2.159607232e-02 -3.236914796e-02 3.72 -2.796892864e-03 -1.480930859e-02 -2.220369353e-02 3.74 -1.774786920e-03 -9.710710822e-03 -1.456224966e-02 3.76 -1.061164504e-03 -6.039439826e-03 -9.057901811e-03 3.78 -5.905663165e-04 -3.526420173e-03 -5.289270975e-03 3.80 -3.011011207e-04 -1.908133816e-03 -2.862114387e-03 3.82 -1.377267662e-04 -9.408334188e-04 -1.411233330e-03 3.84 -5.494539435e-05 -4.134699368e-04 -6.202023901e-04 3.86 -1.838800245e-05 -1.572324202e-04 -2.358483598e-04 3.88 -4.884299026e-06 -4.967927265e-05 -7.451889002e-05 3.90 -9.493523031e-07 -1.231511829e-05 -1.847267667e-05 3.92 -1.192124060e-07 -2.201510485e-06 -3.302265714e-06 3.94 -7.910632082e-09 -2.489689095e-07 -3.734533641e-07 3.96 -1.961464197e-10 -1.430781819e-08 -2.146172729e-08 3.98 -9.456071312e-13 -2.799253415e-10 -4.198880123e-10 4.00 -2.195200707e-16 -8.308658525e-13 -1.246298779e-12 4.02 -6.631785114e-23 -5.851002259e-17 -8.776503389e-17 4.04 -5.259862584e-38 -4.601369588e-25 -6.902054383e-25 4.06 -3.424981933e-111 -6.938679453e-48 -1.040801918e-47 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 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