# 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 = Zn # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan 6.084895200e+03 nan nan nan nan 0.76 nan nan nan nan nan 5.211920576e+03 nan nan nan nan 0.78 nan nan nan nan nan 4.478980889e+03 nan nan 5.760926475e+03 nan 0.80 nan nan nan nan nan 3.855729365e+03 nan nan 4.939569410e+03 nan 0.82 nan nan nan nan nan 3.323641969e+03 nan nan 4.250527728e+03 nan 0.84 nan nan nan nan nan 2.869622509e+03 nan nan 3.671097405e+03 nan 0.86 nan 5.618515735e+03 nan nan nan 2.483353103e+03 5.825903593e+03 nan 3.182134810e+03 5.672539359e+03 0.88 nan 4.890695811e+03 nan nan nan 2.155212887e+03 5.067331340e+03 nan 2.768387597e+03 4.935906300e+03 0.90 nan 4.270212283e+03 nan nan nan 1.875863968e+03 4.419116326e+03 nan 2.417182973e+03 4.307491878e+03 0.92 nan 3.738468955e+03 nan nan nan 1.637069090e+03 3.864009721e+03 nan 2.117714416e+03 3.767854059e+03 0.94 nan 3.280308484e+03 5.559917664e+03 nan nan 1.432194828e+03 3.386977794e+03 5.863366283e+03 1.860910364e+03 3.303499895e+03 0.96 5.813858832e+03 2.884359460e+03 4.907858137e+03 5.804105189e+03 5.796815988e+03 1.255928502e+03 2.975453096e+03 5.165363225e+03 1.639168811e+03 2.904315852e+03 0.98 5.133101549e+03 2.541075412e+03 4.338472432e+03 5.128504015e+03 5.122133344e+03 1.103672787e+03 2.619516982e+03 4.558674972e+03 1.446370795e+03 2.561515353e+03 1.00 4.540305943e+03 2.242278229e+03 3.837306760e+03 4.540740256e+03 4.536920307e+03 9.716338628e+02 2.311798798e+03 4.030403186e+03 1.277724790e+03 2.266751114e+03 1.02 4.023579986e+03 1.981750355e+03 3.395989312e+03 4.027622319e+03 4.027222745e+03 8.570444972e+02 2.046392861e+03 3.569767449e+03 1.129518095e+03 2.012270337e+03 1.04 3.572522556e+03 1.754868804e+03 3.008723553e+03 3.578354757e+03 3.581349962e+03 7.577986007e+02 1.817561295e+03 3.167589926e+03 9.988086494e+02 1.791327533e+03 1.06 3.178045519e+03 1.557511865e+03 2.670123658e+03 3.183899245e+03 3.189317445e+03 6.720890346e+02 1.619610693e+03 2.815752800e+03 8.832944820e+02 1.598223942e+03 1.08 2.832144267e+03 1.385592617e+03 2.374686294e+03 2.836793307e+03 2.843054409e+03 5.982015201e+02 1.447329147e+03 2.507270305e+03 7.812820898e+02 1.428127397e+03 1.10 2.528016393e+03 1.235369386e+03 2.116721750e+03 2.531001821e+03 2.536547307e+03 5.343915010e+02 1.296233505e+03 2.236465626e+03 6.914262841e+02 1.277110578e+03 1.12 2.260020147e+03 1.103793139e+03 1.890830563e+03 2.261542124e+03 2.265355432e+03 4.789694340e+02 1.162618338e+03 1.998728132e+03 6.124965213e+02 1.142062311e+03 1.14 2.023729545e+03 9.884243365e+02 1.692483786e+03 2.024190774e+03 2.025867344e+03 4.304467440e+02 1.043498407e+03 1.790231488e+03 5.433331208e+02 1.020695430e+03 1.16 1.815789029e+03 8.870668447e+02 1.518120344e+03 1.815328504e+03 1.814889385e+03 3.875901856e+02 9.365542138e+02 1.607592814e+03 4.828765455e+02 9.115064479e+02 1.18 1.633188826e+03 7.975833543e+02 1.364753332e+03 1.631708334e+03 1.629464882e+03 3.493903653e+02 8.401228757e+02 1.447451647e+03 4.301488947e+02 8.134174400e+02 1.20 1.472806376e+03 7.179760567e+02 1.229780503e+03 1.470270592e+03 1.466737551e+03 3.150901438e+02 7.530822555e+02 1.306390359e+03 3.842086782e+02 7.255564380e+02 1.22 1.331430742e+03 6.465569644e+02 1.110993191e+03 1.328032716e+03 1.323832183e+03 2.842094055e+02 6.746342605e+02 1.181181035e+03 3.441281881e+02 6.472293068e+02 1.24 1.205910285e+03 5.820498856e+02 1.006367235e+03 1.202079987e+03 1.197854192e+03 2.564312777e+02 6.040984117e+02 1.069085302e+03 3.090251535e+02 5.778218319e+02 1.26 1.093407096e+03 5.236079501e+02 9.138292602e+02 1.089752175e+03 1.086087146e+03 2.314615108e+02 5.408247810e+02 9.680513174e+02 2.781331764e+02 5.166812364e+02 1.28 9.917352552e+02 4.707332715e+02 8.312846316e+02 9.888851279e+02 9.862272207e+02 2.089889458e+02 4.841828468e+02 8.766952100e+02 2.508448236e+02 4.630793704e+02 1.30 8.995142348e+02 4.230915772e+02 7.568118684e+02 8.979024048e+02 8.964925027e+02 1.886983831e+02 4.335681352e+02 7.940824367e+02 2.266873685e+02 4.162213503e+02 1.32 8.159237347e+02 3.803593676e+02 6.888799283e+02 8.156736448e+02 8.155448504e+02 1.702957920e+02 3.884314857e+02 7.194624360e+02 2.052617262e+02 3.752708892e+02 1.34 7.403086284e+02 3.421756698e+02 6.264598177e+02 7.412913048e+02 7.423202430e+02 1.535361663e+02 3.483039132e+02 6.521280104e+02 1.862025654e+02 3.393936068e+02 1.36 6.720208425e+02 3.081402288e+02 5.689525436e+02 6.739622768e+02 6.759139794e+02 1.382380047e+02 3.127831726e+02 5.914069375e+02 1.691668922e+02 3.078167678e+02 1.38 6.104270980e+02 2.778212259e+02 5.160120754e+02 6.129817528e+02 6.155374670e+02 1.242695992e+02 2.814891782e+02 5.366706704e+02 1.538426667e+02 2.798882539e+02 1.40 5.549222990e+02 2.507707012e+02 4.673825957e+02 5.577177764e+02 5.605132817e+02 1.115195716e+02 2.540281835e+02 4.873186157e+02 1.399671017e+02 2.550979029e+02 1.42 5.049144943e+02 2.265487924e+02 4.228204527e+02 5.075959530e+02 5.102774116e+02 9.988307641e+01 2.299870470e+02 4.427692079e+02 1.273333277e+02 2.330341525e+02 1.44 4.598024492e+02 2.047544448e+02 3.820905921e+02 4.620855362e+02 4.643686232e+02 8.926547400e+01 2.089444764e+02 4.024780717e+02 1.157805524e+02 2.133152976e+02 1.46 4.189841150e+02 1.850541623e+02 3.449788859e+02 4.206922275e+02 4.224003400e+02 7.958842709e+01 1.904871531e+02 3.659579213e+02 1.051808302e+02 1.955667193e+02 1.48 3.818964407e+02 1.671963296e+02 3.112970515e+02 3.829643440e+02 3.840322472e+02 7.079156301e+01 1.742253967e+02 3.327846859e+02 9.543089647e+01 1.794428655e+02 1.50 3.480639119e+02 1.510043709e+02 2.808731699e+02 3.485157311e+02 3.489675503e+02 6.282706817e+01 1.598027695e+02 3.026016147e+02 8.644672287e+01 1.646600307e+02 1.52 3.171317133e+02 1.363539116e+02 2.535333315e+02 3.170479726e+02 3.169642320e+02 5.565072457e+01 1.468995419e+02 2.751252170e+02 7.816150138e+01 1.510194968e+02 1.54 2.888576924e+02 1.231461504e+02 2.290894121e+02 2.883438592e+02 2.878300259e+02 4.921655719e+01 1.352386439e+02 2.501328009e+02 7.052554464e+01 1.384026425e+02 1.56 2.630617384e+02 1.112889524e+02 2.073365699e+02 2.622290097e+02 2.613962810e+02 4.347580728e+01 1.245951040e+02 2.274305316e+02 6.350229896e+01 1.267365947e+02 1.58 2.395745482e+02 1.006872980e+02 1.880542116e+02 2.385332201e+02 2.374918919e+02 3.837699969e+01 1.147974991e+02 2.068300799e+02 5.706089588e+01 1.159593708e+02 1.60 2.182202138e+02 9.124104937e+01 1.710082175e+02 2.170773879e+02 2.159345620e+02 3.386623650e+01 1.057200437e+02 1.881473081e+02 5.117047896e+01 1.060076462e+02 1.62 1.988193095e+02 8.284628528e+01 1.559546578e+02 1.976760113e+02 1.965327130e+02 2.988775363e+01 9.727403611e+01 1.712106298e+02 4.579861534e+01 9.681726702e+01 1.64 1.811966778e+02 7.539768290e+01 1.426454012e+02 1.801434717e+02 1.790902656e+02 2.638479304e+01 8.939969681e+01 1.558689359e+02 4.091142100e+01 8.832602754e+01 1.66 1.651907442e+02 6.879144816e+01 1.308357858e+02 1.643018499e+02 1.634129555e+02 2.330084308e+01 8.205427444e+01 1.419944670e+02 3.647404103e+01 8.047705566e+01 1.68 1.506619666e+02 6.292817831e+01 1.202938619e+02 1.499886431e+02 1.493153196e+02 2.058128189e+01 7.520096972e+01 1.294784517e+02 3.245141826e+01 7.322188471e+01 1.70 1.374964780e+02 5.771460547e+01 1.108097061e+02 1.370615789e+02 1.366266799e+02 1.817539253e+01 6.880515314e+01 1.182224986e+02 2.880931510e+01 6.652171570e+01 1.72 1.256014392e+02 5.306337279e+01 1.022028405e+02 1.253979034e+02 1.251943676e+02 1.603856347e+01 6.283538706e+01 1.081313894e+02 2.551543473e+01 6.034560333e+01 1.74 1.148934957e+02 4.889160482e+01 9.432711649e+01 1.148888101e+02 1.148841245e+02 1.413421759e+01 5.726501676e+01 9.910845484e+01 2.254033987e+01 5.466618875e+01 1.76 1.052880627e+02 4.512094016e+01 8.707405026e+01 1.054338691e+02 1.055796756e+02 1.243469929e+01 5.207290046e+01 9.105281517e+01 1.985778488e+01 4.945589459e+01 1.78 9.669509472e+01 4.168044967e+01 8.037280078e+01 9.693837251e+01 9.718165031e+01 1.092029887e+01 4.724262557e+01 8.385921298e+01 1.744426085e+01 4.468554320e+01 1.80 8.901891456e+01 3.851047119e+01 7.418184157e+01 8.931094162e+01 8.960296868e+01 9.576329427e+00 4.276038283e+01 7.741980041e+01 1.527809754e+01 4.032438393e+01 1.82 8.215907402e+01 3.556476724e+01 6.847401254e+01 8.246016082e+01 8.276124763e+01 8.389711160e+00 3.861282719e+01 7.162710204e+01 1.333886082e+01 3.634046257e+01 1.84 7.601193598e+01 3.280965882e+01 6.322457691e+01 7.629271440e+01 7.657349281e+01 7.347135710e+00 3.478608222e+01 6.637804091e+01 1.160730884e+01 3.270123272e+01 1.86 7.047326074e+01 3.022084998e+01 5.840709175e+01 7.071456303e+01 7.095586532e+01 6.434944472e+00 3.126555496e+01 6.157870216e+01 1.006556046e+01 2.937444715e+01 1.88 6.544202918e+01 2.778052503e+01 5.399294455e+01 6.563422479e+01 6.582642040e+01 5.639351284e+00 2.803591581e+01 5.714895421e+01 8.697185975e+00 2.632931867e+01 1.90 6.082547690e+01 2.547589432e+01 4.995135027e+01 6.096722957e+01 6.110898224e+01 4.946576537e+00 2.508112882e+01 5.302563290e+01 7.487004657e+00 2.353785466e+01 1.92 5.654474530e+01 2.329790522e+01 4.624950047e+01 5.664111007e+01 5.673747483e+01 4.342997608e+00 2.238455029e+01 4.916327178e+01 6.420589171e+00 2.097613528e+01 1.94 5.253971183e+01 2.123982095e+01 4.285294752e+01 5.259967352e+01 5.265963520e+01 3.815349555e+00 1.992910835e+01 4.553237064e+01 5.483807386e+00 1.862515242e+01 1.96 4.877086093e+01 1.929641902e+01 3.972629913e+01 4.880469298e+01 4.883852503e+01 3.350991113e+00 1.769757062e+01 4.211576076e+01 4.662748202e+00 1.647076517e+01 1.98 4.521646977e+01 1.746363534e+01 3.683428537e+01 4.523352489e+01 4.525058002e+01 2.938246650e+00 1.567289576e+01 3.890354894e+01 3.943986634e+00 1.450255113e+01 2.00 4.186579635e+01 1.573813635e+01 3.414320948e+01 4.187326624e+01 4.188073613e+01 2.566817199e+00 1.383864318e+01 3.588834854e+01 3.314928545e+00 1.271194797e+01 2.02 3.871211111e+01 1.411690380e+01 3.162268423e+01 3.871480637e+01 3.871750163e+01 2.228214819e+00 1.217938187e+01 3.306291563e+01 2.764135169e+00 1.109067335e+01 2.04 3.574916533e+01 1.259703885e+01 2.924737657e+01 3.574988864e+01 3.575061194e+01 1.916113729e+00 1.068100075e+01 3.041971084e+01 2.281579829e+00 9.630093966e+00 2.06 3.297051227e+01 1.117572143e+01 2.699827756e+01 3.297062357e+01 3.297073486e+01 1.626451105e+00 9.330798339e+00 2.795087168e+01 1.858750113e+00 8.321191799e+00 2.08 3.036946359e+01 9.850190707e+00 2.486291714e+01 3.036946136e+01 3.036945914e+01 1.357112272e+00 8.117263100e+00 2.564818800e+01 1.488511617e+00 7.154598622e+00 2.10 2.793903349e+01 8.617721245e+00 2.283419185e+01 2.793902954e+01 2.793902559e+01 1.107187340e+00 7.029589116e+00 2.350309929e+01 1.164728509e+00 6.120617053e+00 2.12 2.567188551e+01 7.475599990e+00 2.090819662e+01 2.567188509e+01 2.567188467e+01 8.760936720e-01 6.057167050e+00 2.150672517e+01 8.817959767e-01 5.209253324e+00 2.14 2.356029281e+01 6.421104694e+00 1.908220504e+01 2.356029280e+01 2.356029279e+01 6.630542182e-01 5.189347624e+00 1.964993470e+01 6.343625765e-01 4.410265968e+00 2.16 2.159611651e+01 5.451483912e+00 1.735371242e+01 2.159611651e+01 2.159611651e+01 4.671060166e-01 4.415530405e+00 1.792345846e+01 4.173902408e-01 3.713232098e+00 2.18 1.977080834e+01 4.563938653e+00 1.572028845e+01 1.977080834e+01 1.977080834e+01 2.872776564e-01 3.725387086e+00 1.631804141e+01 2.263830491e-01 3.107633425e+00 2.20 1.807544448e+01 3.755605804e+00 1.417958378e+01 1.807544448e+01 1.807544448e+01 1.226530340e-01 3.109107917e+00 1.482462611e+01 5.756924219e-02 2.582964737e+00 2.22 1.650079868e+01 3.023543510e+00 1.272931458e+01 1.650079868e+01 1.650079868e+01 -2.762706032e-02 2.557667310e+00 1.343454345e+01 -9.199877999e-02 2.128868157e+00 2.24 1.503746215e+01 2.364718707e+00 1.136724324e+01 1.503746215e+01 1.503746215e+01 -1.643692413e-01 2.063091807e+00 1.213967705e+01 -2.244332450e-01 1.735296603e+00 2.26 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