# 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 = CdZn3 # 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 7.064582768e+03 nan nan 0.88 6.144060245e+03 nan nan 0.90 5.358871278e+03 nan nan 0.92 4.685221829e+03 nan nan 0.94 4.104385664e+03 6.995352377e+03 nan 0.96 3.603023766e+03 6.153013877e+03 7.290632119e+03 0.98 3.170039307e+03 5.423449623e+03 6.436195548e+03 1.00 2.796206236e+03 4.789190957e+03 5.698681990e+03 1.02 2.474128255e+03 4.237245899e+03 5.060635925e+03 1.04 2.196712244e+03 3.758141836e+03 4.505834878e+03 1.06 1.956953671e+03 3.343305896e+03 4.019199864e+03 1.08 1.748664821e+03 2.983537227e+03 3.589073689e+03 1.10 1.566491912e+03 2.669184892e+03 3.207848137e+03 1.12 1.405731899e+03 2.391721172e+03 2.869808916e+03 1.14 1.262535464e+03 2.145258364e+03 2.569974146e+03 1.16 1.134101657e+03 1.926179698e+03 2.304115412e+03 1.18 1.018553029e+03 1.731698590e+03 2.068654821e+03 1.20 9.144449044e+02 1.559265455e+03 1.860321134e+03 1.22 8.205524837e+02 1.406492901e+03 1.675852369e+03 1.24 7.358882328e+02 1.270991578e+03 1.511979408e+03 1.26 6.596997605e+02 1.150301920e+03 1.365615669e+03 1.28 5.914143788e+02 1.042122272e+03 1.234248368e+03 1.30 5.305183578e+02 9.446096972e+02 1.116218821e+03 1.32 4.764490234e+02 8.564448082e+02 1.010479849e+03 1.34 4.285625582e+02 7.766890468e+02 9.160929996e+02 1.36 3.861466699e+02 7.046580161e+02 8.320219962e+02 1.38 3.484489396e+02 6.397949946e+02 7.571341416e+02 1.40 3.147294282e+02 5.815356528e+02 6.902327823e+02 1.42 2.843475491e+02 5.292364171e+02 6.301160111e+02 1.44 2.568450423e+02 4.821840790e+02 5.756847230e+02 1.46 2.319454008e+02 4.396479862e+02 5.260774339e+02 1.48 2.094663377e+02 4.009555043e+02 4.807215790e+02 1.50 1.892511745e+02 3.655642644e+02 4.392405010e+02 1.52 1.711522392e+02 3.330903549e+02 4.013468118e+02 1.54 1.550248195e+02 3.032809999e+02 3.668054065e+02 1.56 1.407164453e+02 2.759636415e+02 3.354054944e+02 1.58 1.280579492e+02 2.509926162e+02 3.069310823e+02 1.60 1.168629312e+02 2.282181017e+02 2.811469452e+02 1.62 1.069342480e+02 2.074832095e+02 2.577968992e+02 1.64 9.807601550e+01 1.886289599e+02 2.366105300e+02 1.66 9.011006669e+01 1.714999591e+02 2.173177646e+02 1.68 8.289159820e+01 1.559492797e+02 1.996690990e+02 1.70 7.631413041e+01 1.418416892e+02 1.834568690e+02 1.72 7.029837461e+01 1.290554662e+02 1.685286326e+02 1.74 6.477629733e+01 1.174835534e+02 1.547828297e+02 1.76 5.968537685e+01 1.070343042e+02 1.421467934e+02 1.78 5.497105732e+01 9.763052750e+01 1.305535027e+02 1.80 5.059032840e+01 8.920434465e+01 1.199319643e+02 1.82 4.651306421e+01 8.168897104e+01 1.102069645e+02 1.84 4.271976299e+01 7.501264750e+01 1.013009630e+02 1.86 3.919677363e+01 6.909736612e+01 9.313680687e+01 1.88 3.593233192e+01 6.386031137e+01 8.564110975e+01 1.90 3.291517879e+01 5.921629633e+01 7.874787561e+01 1.92 3.013427363e+01 5.508067543e+01 7.240156829e+01 1.94 2.757832082e+01 5.137209327e+01 6.655862412e+01 1.96 2.523513089e+01 4.801471861e+01 6.118666578e+01 1.98 2.309114484e+01 4.494076541e+01 5.626142951e+01 2.00 2.113129822e+01 4.209408661e+01 5.176232124e+01 2.02 1.933915442e+01 3.943298689e+01 4.766836679e+01 2.04 1.769726352e+01 3.692948456e+01 4.395613564e+01 2.06 1.618779851e+01 3.456540575e+01 4.059929415e+01 2.08 1.479349582e+01 3.232865116e+01 3.756865358e+01 2.10 1.349881700e+01 3.021111373e+01 3.483243868e+01 2.12 1.229106186e+01 2.820692364e+01 3.235689619e+01 2.14 1.116097958e+01 2.631085394e+01 3.010737202e+01 2.16 1.010247722e+01 2.451754848e+01 2.804993106e+01 2.18 9.111556055e+00 2.282142583e+01 2.615342958e+01 2.20 8.185262851e+00 2.121675439e+01 2.439164302e+01 2.22 7.321202410e+00 1.969775416e+01 2.274468601e+01 2.24 6.517321862e+00 1.825873952e+01 2.119887140e+01 2.26 5.771693934e+00 1.689430315e+01 1.974484146e+01 2.28 5.082360389e+00 1.559952526e+01 1.837516217e+01 2.30 4.447278027e+00 1.437017447e+01 1.708299825e+01 2.32 3.864313875e+00 1.320284828e+01 1.586199945e+01 2.34 3.331244227e+00 1.209499488e+01 1.470653138e+01 2.36 2.845753718e+00 1.104478199e+01 1.361187210e+01 2.38 2.405436893e+00 1.005084235e+01 1.257430312e+01 2.40 2.007802769e+00 9.112001716e+00 1.159104501e+01 2.42 1.650282714e+00 8.227104976e+00 1.066002772e+01 2.44 1.330241936e+00 7.394960211e+00 9.779563177e+00 2.46 1.044994892e+00 6.614331701e+00 8.948054187e+00 2.48 7.918248639e-01 5.883935170e+00 8.163848894e+00 2.50 5.680079449e-01 5.202431768e+00 7.425224861e+00 2.52 3.708415413e-01 4.568422880e+00 6.730411557e+00 2.54 1.976774015e-01 3.980446106e+00 6.077610000e+00 2.56 4.595893271e-02 3.436972605e+00 5.465014705e+00 2.58 -8.673777871e-02 2.936405987e+00 4.890841624e+00 2.60 -2.026603714e-01 2.477082980e+00 4.353361121e+00 2.62 -3.038359657e-01 2.057276106e+00 3.850933178e+00 2.64 -3.920293153e-01 1.675198591e+00 3.382040206e+00 2.66 -4.687078139e-01 1.329011728e+00 2.945310988e+00 2.68 -5.350193865e-01 1.016834888e+00 2.539528475e+00 2.70 -5.917905625e-01 7.367582934e-01 2.163615612e+00 2.72 -6.395521339e-01 4.868585613e-01 1.816598540e+00 2.74 -6.785973817e-01 2.652168459e-01 1.497555116e+00 2.76 -7.090714597e-01 6.993914750e-02 1.205564894e+00 2.78 -7.310796869e-01 -1.008220074e-01 9.396768368e-01 2.80 -7.447899639e-01 -2.488457884e-01 6.988988981e-01 2.82 -7.504983017e-01 -3.758230249e-01 4.821993083e-01 2.84 -7.486376819e-01 -4.833403515e-01 2.885089115e-01 2.86 -7.397410663e-01 -5.728714500e-01 1.167225926e-01 2.88 -7.243961506e-01 -6.457783881e-01 -3.429892580e-02 2.90 -7.032203880e-01 -7.033253391e-01 -1.657264776e-01 2.92 -6.768533510e-01 -7.467050018e-01 -2.787589607e-01 2.94 -6.459535701e-01 -7.770745689e-01 -3.746189144e-01 2.96 -6.111951261e-01 -7.955936130e-01 -4.545471320e-01 2.98 -5.732634750e-01 -8.034526976e-01 -5.197962863e-01 3.00 -5.328504575e-01 -8.018822442e-01 -5.716235641e-01 3.02 -4.906484708e-01 -7.921388595e-01 -6.112823264e-01 3.04 -4.473437986e-01 -7.754779200e-01 -6.400128380e-01 3.06 -4.036091211e-01 -7.531263428e-01 -6.590321416e-01 3.08 -3.600952559e-01 -7.262620192e-01 -6.695231899e-01 3.10 -3.174222185e-01 -6.959971278e-01 -6.726233983e-01 3.12 -2.761697328e-01 -6.633620865e-01 -6.694128333e-01 3.14 -2.368673708e-01 -6.292896783e-01 -6.609023247e-01 3.16 -1.999845542e-01 -5.945999010e-01 -6.480218705e-01 3.18 -1.659207133e-01 -5.599863494e-01 -6.316098049e-01 3.20 -1.349959624e-01 -5.260051701e-01 -6.124033218e-01 3.22 -1.074427290e-01 -4.930679004e-01 -5.910310806e-01 3.24 -8.339885530e-02 -4.614397664e-01 -5.680087679e-01 3.26 -6.290278966e-02 -4.312451808e-01 -5.437386176e-01 3.28 -4.589158776e-02 -4.024820758e-01 -5.185139606e-01 3.30 -3.220255783e-02 -3.750460652e-01 -4.925298138e-01 3.32 -2.157946894e-02 -3.487639515e-01 -4.659002168e-01 3.34 -1.368425642e-02 -3.234336636e-01 -4.386823513e-01 3.36 -8.114996129e-03 -2.988647593e-01 -4.109063335e-01 3.38 -4.430430986e-03 -2.749116020e-01 -3.826079266e-01 3.40 -2.180334204e-03 -2.514924536e-01 -3.538595478e-01 3.42 -9.393561720e-04 -2.285930467e-01 -3.247934870e-01 3.44 -3.398431909e-04 -2.062593112e-01 -2.956113504e-01 3.46 -9.708256258e-05 -1.845846104e-01 -2.665765754e-01 3.48 -1.991540082e-05 -1.636931967e-01 -2.379925606e-01 3.50 -2.514158848e-06 -1.437220412e-01 -2.101750109e-01 3.52 -1.494078077e-07 -1.248059996e-01 -1.834286678e-01 3.54 -2.515586061e-09 -1.070690791e-01 -1.580331745e-01 3.56 -4.031894412e-12 -9.062001729e-02 -1.342355780e-01 3.58 -3.553468995e-17 -7.554928343e-02 -1.122452258e-01 3.60 -4.361997634e-29 -6.192627416e-02 -9.222926547e-02 3.62 -3.630007657e-91 -4.979658937e-02 -7.430860687e-02 3.64 0.000000000e+00 -3.917951041e-02 -5.855454133e-02 3.66 0.000000000e+00 -3.006585999e-02 -4.498627069e-02 3.68 0.000000000e+00 -2.241647673e-02 -3.356965129e-02 3.70 0.000000000e+00 -1.616159757e-02 -2.421751817e-02 3.72 0.000000000e+00 -1.120149937e-02 -1.679201788e-02 3.74 0.000000000e+00 -7.408790626e-03 -1.110942343e-02 3.76 0.000000000e+00 -4.632736230e-03 -6.947894600e-03 3.78 0.000000000e+00 -2.705898139e-03 -4.058516852e-03 3.80 0.000000000e+00 -1.453125778e-03 -2.179614903e-03 3.82 0.000000000e+00 -7.024779129e-04 -1.053704069e-03 3.84 0.000000000e+00 -2.969917357e-04 -4.454859930e-04 3.86 0.000000000e+00 -1.054395306e-04 -1.581591626e-04 3.88 0.000000000e+00 -2.963754051e-05 -4.445630447e-05 3.90 0.000000000e+00 -6.035828575e-06 -9.053742725e-06 3.92 0.000000000e+00 -7.741308171e-07 -1.161196225e-06 3.94 0.000000000e+00 -4.941920158e-08 -7.412880236e-08 3.96 0.000000000e+00 -1.024014538e-09 -1.536021806e-09 3.98 0.000000000e+00 -2.895298284e-12 -4.342947427e-12 4.00 0.000000000e+00 -1.418127177e-16 -2.127190765e-16 4.02 0.000000000e+00 -1.959267585e-25 -2.938901378e-25 4.04 0.000000000e+00 -4.306275033e-54 -6.459412550e-54 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 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 0.000000000e+00 4.24 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