# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Wang-Z-Q-Stroud-D-Markworth-A-J--Cd-Te # implementation = 1989--Wang-Z-Q--Cd-Te--LAMMPS--ipr1 # 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 2.256672174e+04 nan nan 0.86 1.956758369e+04 nan nan 0.88 1.701800501e+04 nan nan 0.90 1.484678801e+04 nan nan 0.92 1.299275787e+04 2.201352239e+04 nan 0.94 1.140119769e+04 1.933438392e+04 2.296696021e+04 0.96 1.002823003e+04 1.703959322e+04 2.023791107e+04 0.98 8.840077522e+03 1.505551386e+04 1.787600458e+04 1.00 7.810780771e+03 1.332736343e+04 1.581876874e+04 1.02 6.917374708e+03 1.181412551e+04 1.402071088e+04 1.04 6.139204962e+03 1.048449831e+04 1.244666075e+04 1.06 5.459677723e+03 9.317208254e+03 1.106902795e+04 1.08 4.864822196e+03 8.295922477e+03 9.864445100e+03 1.10 4.343046733e+03 7.403717773e+03 8.811264444e+03 1.12 3.885278774e+03 6.623587818e+03 7.890566193e+03 1.14 3.483040959e+03 5.940808396e+03 7.085380391e+03 1.16 3.127905719e+03 5.343128799e+03 6.378070664e+03 1.18 2.812875522e+03 4.819029245e+03 5.751443922e+03 1.20 2.532910206e+03 4.357045740e+03 5.192173117e+03 1.22 2.283805817e+03 3.945859830e+03 4.691587728e+03 1.24 2.061449308e+03 3.575562333e+03 4.243279950e+03 1.26 1.862174340e+03 3.239506893e+03 3.841739490e+03 1.28 1.683234688e+03 2.934288355e+03 3.482023314e+03 1.30 1.522793828e+03 2.657940630e+03 3.159614182e+03 1.32 1.379389649e+03 2.408742162e+03 2.870486957e+03 1.34 1.251441985e+03 2.184949657e+03 2.610892169e+03 1.36 1.137197482e+03 1.984566317e+03 2.377340560e+03 1.38 1.034931516e+03 1.805246765e+03 2.166768401e+03 1.40 9.431903604e+02 1.644485102e+03 1.976472267e+03 1.42 8.608775039e+02 1.499949286e+03 1.804154391e+03 1.44 7.871087019e+02 1.369763087e+03 1.648156874e+03 1.46 7.210219507e+02 1.252487049e+03 1.507375434e+03 1.48 6.616886695e+02 1.146864168e+03 1.380831815e+03 1.50 6.081347913e+02 1.051734729e+03 1.267410123e+03 1.52 5.594248494e+02 9.661292759e+02 1.165838088e+03 1.54 5.147402363e+02 8.892729317e+02 1.074708621e+03 1.56 4.734250153e+02 8.204314783e+02 9.925065705e+02 1.58 4.350230006e+02 7.587650331e+02 9.177032045e+02 1.60 3.992874040e+02 7.033087933e+02 8.489446789e+02 1.62 3.661174338e+02 6.530297267e+02 7.852509251e+02 1.64 3.354633002e+02 6.069251552e+02 7.260783068e+02 1.66 3.072674059e+02 5.641407186e+02 6.711664866e+02 1.68 2.814490041e+02 5.240561655e+02 6.203236974e+02 1.70 2.579014247e+02 4.862912919e+02 5.733419335e+02 1.72 2.364909232e+02 4.506486293e+02 5.300004099e+02 1.74 2.170572790e+02 4.170361193e+02 4.900814245e+02 1.76 1.994171980e+02 3.853924980e+02 4.533784596e+02 1.78 1.833716707e+02 3.556520933e+02 4.196873313e+02 1.80 1.687179074e+02 3.277437205e+02 3.887858774e+02 1.82 1.552648272e+02 3.015979333e+02 3.604226290e+02 1.84 1.428484229e+02 2.771551288e+02 3.343230923e+02 1.86 1.313417111e+02 2.543706457e+02 3.102075836e+02 1.88 1.206562531e+02 2.332127136e+02 2.878166010e+02 1.90 1.107360710e+02 2.136534014e+02 2.669383483e+02 1.92 1.015465156e+02 1.956594756e+02 2.474269147e+02 1.94 9.306352893e+01 1.791884462e+02 2.291978252e+02 1.96 8.526610082e+01 1.641876000e+02 2.122005756e+02 1.98 7.813109311e+01 1.505935728e+02 1.963894699e+02 2.00 7.163118076e+01 1.383321510e+02 1.817113411e+02 2.02 6.573471347e+01 1.273184103e+02 1.681044985e+02 2.04 6.040610853e+01 1.174573492e+02 1.555003072e+02 2.06 5.560659870e+01 1.086452220e+02 1.438260271e+02 2.08 5.129536381e+01 1.007717725e+02 1.330089875e+02 2.10 4.743096522e+01 9.372345682e+01 1.229817941e+02 2.12 4.397279165e+01 8.738745316e+01 1.136875362e+02 2.14 4.088197675e+01 8.165582448e+01 1.050830906e+02 2.16 3.812121544e+01 7.642899678e+01 9.713841374e+01 2.18 3.565349138e+01 7.161836071e+01 8.983140384e+01 2.20 3.344084634e+01 6.714912554e+01 8.314128292e+01 2.22 3.144460184e+01 6.296421180e+01 7.704451000e+01 2.24 2.962708150e+01 5.902687640e+01 7.151359946e+01 2.26 2.795391953e+01 5.531859164e+01 6.651685651e+01 2.28 2.639614136e+01 5.183208547e+01 6.201823646e+01 2.30 2.493120246e+01 4.856378131e+01 5.797732589e+01 2.32 2.354246097e+01 4.550985661e+01 5.434953647e+01 2.34 2.221757430e+01 4.266537010e+01 5.108663801e+01 2.36 2.094718070e+01 4.002410781e+01 4.813778785e+01 2.38 1.972446665e+01 3.757845253e+01 4.545121305e+01 2.40 1.854485002e+01 3.531926649e+01 4.297662954e+01 2.42 1.740530350e+01 3.323580507e+01 4.066828861e+01 2.44 1.630370484e+01 3.131568414e+01 3.848819678e+01 2.46 1.523858561e+01 2.954493172e+01 3.640862858e+01 2.48 1.420909252e+01 2.790816203e+01 3.441281310e+01 2.50 1.321485464e+01 2.638891464e+01 3.249309983e+01 2.52 1.225575464e+01 2.497019656e+01 3.064726059e+01 2.54 1.133174186e+01 2.363524313e+01 2.887498357e+01 2.56 1.044276416e+01 2.236846403e+01 2.717617236e+01 2.58 9.588765855e+00 2.115645837e+01 2.555062028e+01 2.60 8.769687895e+00 1.998887867e+01 2.399799197e+01 2.62 7.985463718e+00 1.885884861e+01 2.251780097e+01 2.64 7.236014612e+00 1.776268974e+01 2.110938327e+01 2.66 6.521245041e+00 1.669898263e+01 1.977186994e+01 2.68 5.841037923e+00 1.566739874e+01 1.850415937e+01 2.70 5.195249876e+00 1.466789456e+01 1.730488967e+01 2.72 4.583706439e+00 1.370044679e+01 1.617241240e+01 2.74 4.006197288e+00 1.276503432e+01 1.510476896e+01 2.76 3.462471457e+00 1.186164105e+01 1.409967148e+01 2.78 2.952232606e+00 1.099025301e+01 1.315449079e+01 2.80 2.475134356e+00 1.015085498e+01 1.226625445e+01 2.82 2.030775745e+00 9.343427129e+00 1.143165879e+01 2.84 1.618696841e+00 8.567941461e+00 1.064709918e+01 2.86 1.238374579e+00 7.824358354e+00 9.908723225e+00 2.88 8.892188932e-01 7.112622951e+00 9.212511149e+00 2.90 5.705692028e-01 6.432661528e+00 8.554386021e+00 2.92 2.816913606e-01 5.784377798e+00 7.930353383e+00 2.94 2.177514445e-02 5.167649176e+00 7.336664109e+00 2.96 -2.100675946e-01 4.582322996e+00 6.769986071e+00 2.98 -4.148040147e-01 4.028212706e+00 6.227560070e+00 3.00 -5.934804727e-01 3.505094058e+00 5.707306360e+00 3.02 -7.472216925e-01 3.012701302e+00 5.207846131e+00 3.04 -8.772287801e-01 2.550723426e+00 4.728415991e+00 3.06 -9.847759528e-01 2.118800467e+00 4.268688588e+00 3.08 -1.071205856e+00 1.716519933e+00 3.828559238e+00 3.10 -1.137923348e+00 1.343413384e+00 3.407981635e+00 3.12 -1.186387657e+00 9.989532340e-01 3.006897325e+00 3.14 -1.218102828e+00 6.825498226e-01 2.625229253e+00 3.16 -1.234606420e+00 3.935488482e-01 2.262886899e+00 3.18 -1.237456463e+00 1.312292353e-01 1.919766354e+00 3.20 -1.228216724e+00 -1.051984637e-01 1.595748691e+00 3.22 -1.208440418e+00 -3.165930261e-01 1.290698250e+00 3.24 -1.179652582e+00 -5.038827578e-01 1.004460899e+00 3.26 -1.143331438e+00 -6.680648037e-01 7.368623203e-01 3.28 -1.100889181e+00 -8.102034298e-01 4.877062973e-01 3.30 -1.053652814e+00 -9.314271293e-01 2.567730303e-01 3.32 -1.002845807e+00 -1.032924397e+00 4.381748215e-02 3.34 -9.495715890e-01 -1.115938018e+00 -1.514322294e-01 3.36 -8.948001401e-01 -1.181757724e+00 -3.292763800e-01 3.38 -8.393591746e-01 -1.231711067e+00 -4.900451114e-01 3.40 -7.839316284e-01 -1.267152427e+00 -6.340998095e-01 3.42 -7.290611553e-01 -1.289450058e+00 -7.618343685e-01 3.44 -6.751669759e-01 -1.299971200e+00 -8.736763171e-01 3.46 -6.225683838e-01 -1.300065344e+00 -9.700877820e-01 3.48 -5.715172587e-01 -1.291045886e+00 -1.051566262e+00 3.50 -5.222340366e-01 -1.274170592e+00 -1.118645183e+00 3.52 -4.749394143e-01 -1.250621527e+00 -1.171894198e+00 3.54 -4.298723855e-01 -1.221485390e+00 -1.211919209e+00 3.56 -3.872877040e-01 -1.187735554e+00 -1.239362060e+00 3.58 -3.474340263e-01 -1.150217453e+00 -1.254899874e+00 3.60 -3.105241304e-01 -1.109639307e+00 -1.259243999e+00 3.62 -2.767112931e-01 -1.066570340e+00 -1.253138512e+00 3.64 -2.460769460e-01 -1.021448520e+00 -1.237358259e+00 3.66 -2.186255298e-01 -9.745991878e-01 -1.212706381e+00 3.68 -1.942828182e-01 -9.262644508e-01 -1.180011301e+00 3.70 -1.728973645e-01 -8.766408815e-01 -1.140123148e+00 3.72 -1.542458518e-01 -8.259200126e-01 -1.093909575e+00 3.74 -1.380432018e-01 -7.743233849e-01 -1.042250987e+00 3.76 -1.239580864e-01 -7.221232932e-01 -9.860351367e-01 3.78 -1.116339553e-01 -6.696439743e-01 -9.261511295e-01 3.80 -1.007147008e-01 -6.172459811e-01 -8.634828327e-01 3.82 -9.087259266e-02 -5.653044578e-01 -7.989017384e-01 3.84 -8.183433367e-02 -5.141924430e-01 -7.332593320e-01 3.86 -7.339965170e-02 -4.642720858e-01 -6.673790418e-01 3.88 -6.544696317e-02 -4.158898219e-01 -6.020478681e-01 3.90 -5.792362432e-02 -3.693722156e-01 -5.380078122e-01 3.92 -5.082421495e-02 -3.250216818e-01 -4.759472473e-01 3.94 -4.416615228e-02 -2.831120767e-01 -4.164923999e-01 3.96 -3.797222731e-02 -2.438842279e-01 -3.601991272e-01 3.98 -3.226276707e-02 -2.075414881e-01 -3.075451998e-01 4.00 -2.705336653e-02 -1.742454215e-01 -2.589233162e-01 4.02 -2.235409258e-02 -1.441117567e-01 -2.146350928e-01 4.04 -1.816886206e-02 -1.172067684e-01 -1.748862946e-01 4.06 -1.449487904e-02 -9.354428953e-02 -1.397835894e-01 4.08 -1.132216896e-02 -7.308360067e-02 -1.093331409e-01 4.10 -8.633263070e-03 -5.572849115e-02 -8.344138817e-02 4.12 -6.403097307e-03 -4.132784411e-02 -6.191840532e-02 4.14 -4.599199789e-03 -2.967814266e-02 -4.448427817e-02 4.16 -3.182245843e-03 -2.052832075e-02 -3.077896000e-02 4.18 -2.107055352e-03 -1.358735690e-02 -2.037603961e-02 4.20 -1.324087204e-03 -8.534893099e-03 -1.280071113e-02 4.22 -7.814420877e-04 -5.034903809e-03 -7.551898998e-03 4.24 -4.273107302e-04 -2.751991240e-03 -4.127880189e-03 4.26 -2.126973081e-04 -1.369222488e-03 -2.053813846e-03 4.28 -9.411687328e-05 -6.056067729e-04 -9.084073642e-04 4.30 -3.584274363e-05 -2.305363995e-04 -3.458043252e-04 4.32 -1.122594294e-05 -7.217396722e-05 -1.082609340e-04 4.34 -2.707191557e-06 -1.739806143e-05 -2.609709159e-05 4.36 -4.551852290e-07 -2.924143988e-06 -4.386215975e-06 4.38 -4.561859326e-08 -2.929447190e-07 -4.394170785e-07 4.40 -2.094737170e-09 -1.344654909e-08 -2.016982363e-08 4.42 -2.732965182e-11 -1.753707281e-10 -2.630560922e-10 4.44 -3.848574782e-14 -2.468702118e-13 -3.703053177e-13 4.46 -5.847492359e-19 -3.749627234e-18 -5.624440852e-18 4.48 -7.514329347e-29 -4.816838920e-28 -7.225258380e-28 4.50 -1.006836744e-60 -6.451906902e-60 -9.677860353e-60 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 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