# 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 = Se3Zn # 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 2.127143114e+04 nan nan 0.88 1.853625075e+04 nan nan 0.90 1.619347052e+04 nan nan 0.92 1.418337753e+04 nan nan 0.94 1.245919684e+04 2.102651078e+04 nan 0.96 1.097703492e+04 1.853038906e+04 2.208797210e+04 0.98 9.696771654e+03 1.637489374e+04 1.952277404e+04 1.00 8.586230996e+03 1.450757191e+04 1.727817702e+04 1.02 7.618516098e+03 1.288115554e+04 1.531495373e+04 1.04 6.770413517e+03 1.145692655e+04 1.359852130e+04 1.06 6.023493055e+03 1.020709434e+04 1.209727583e+04 1.08 5.363619648e+03 9.110561928e+03 1.078361389e+04 1.10 4.779455012e+03 8.148509805e+03 9.632716092e+03 1.12 4.261829616e+03 7.302788526e+03 8.621611748e+03 1.14 3.803357918e+03 6.555770434e+03 7.730258257e+03 1.16 3.397684532e+03 5.891096758e+03 6.942017367e+03 1.18 3.039439707e+03 5.295710293e+03 6.243408301e+03 1.20 2.724227087e+03 4.761368493e+03 5.624201719e+03 1.22 2.448042993e+03 4.283248797e+03 5.076153246e+03 1.24 2.206644521e+03 3.857516008e+03 4.591456993e+03 1.26 1.995305337e+03 3.480315154e+03 4.162317837e+03 1.28 1.809081517e+03 3.147440491e+03 3.780998124e+03 1.30 1.643420304e+03 2.854134782e+03 3.440184715e+03 1.32 1.494826996e+03 2.595196552e+03 3.133447827e+03 1.34 1.361055605e+03 2.365352740e+03 2.855785226e+03 1.36 1.240588618e+03 2.159755609e+03 2.603969412e+03 1.38 1.132089679e+03 1.974392752e+03 2.375995772e+03 1.40 1.034240200e+03 1.806207715e+03 2.170172897e+03 1.42 9.457529781e+02 1.653001158e+03 1.984740443e+03 1.44 8.654440241e+02 1.513259359e+03 1.817830961e+03 1.46 7.922808921e+02 1.385865586e+03 1.667487862e+03 1.48 7.253826242e+02 1.269815838e+03 1.531699156e+03 1.50 6.640048469e+02 1.164079268e+03 1.408487529e+03 1.52 6.075307589e+02 1.067597623e+03 1.296056133e+03 1.54 5.554778161e+02 9.793482216e+02 1.192915995e+03 1.56 5.075112520e+02 8.984238675e+02 1.097921017e+03 1.58 4.634019539e+02 8.240951982e+02 1.010214807e+03 1.60 4.229452282e+02 7.558208918e+02 9.291643150e+02 1.62 3.859217982e+02 6.932015194e+02 8.542883952e+02 1.64 3.520971224e+02 6.359105799e+02 7.851773206e+02 1.66 3.212289175e+02 5.836324398e+02 7.214594214e+02 1.68 2.930773140e+02 5.360270402e+02 6.627931349e+02 1.70 2.674159045e+02 4.927270939e+02 6.088515107e+02 1.72 2.440405022e+02 4.533506625e+02 5.593088910e+02 1.74 2.227720214e+02 4.175185389e+02 5.138408234e+02 1.76 2.034525442e+02 3.848713408e+02 4.721340921e+02 1.78 1.859387550e+02 3.550799517e+02 4.339014687e+02 1.80 1.700983551e+02 3.278468088e+02 3.988944850e+02 1.82 1.558084589e+02 3.029066349e+02 3.669058983e+02 1.84 1.429511196e+02 2.800361803e+02 3.377571483e+02 1.86 1.314066144e+02 2.590621319e+02 3.112760616e+02 1.88 1.210496463e+02 2.398496556e+02 2.872789861e+02 1.90 1.117511541e+02 2.222769624e+02 2.655651177e+02 1.92 1.033838281e+02 2.062184717e+02 2.459182357e+02 1.94 9.582898966e+01 1.915424132e+02 2.281116101e+02 1.96 8.898254392e+01 1.781133742e+02 2.119160286e+02 1.98 8.275697547e+01 1.657960086e+02 1.971112954e+02 2.00 7.707799565e+01 1.544594603e+02 1.835003596e+02 2.02 7.187901352e+01 1.439819532e+02 1.709230177e+02 2.04 6.709798788e+01 1.342547978e+02 1.592636240e+02 2.06 6.267651246e+01 1.251852755e+02 1.484470759e+02 2.08 5.855968998e+01 1.166984338e+02 1.384231429e+02 2.10 5.469733329e+01 1.087378822e+02 1.291489464e+02 2.12 5.104642246e+01 1.012646616e+02 1.205800305e+02 2.14 4.757352382e+01 9.425311010e+01 1.126687724e+02 2.16 4.425590450e+01 8.768470926e+01 1.053645788e+02 2.18 4.108055793e+01 8.154269752e+01 9.861436937e+01 2.20 3.804123063e+01 7.580943410e+01 9.236337557e+01 2.22 3.513483750e+01 7.046583651e+01 8.655633027e+01 2.24 3.235910127e+01 6.549134852e+01 8.113908957e+01 2.26 2.971185616e+01 6.086396410e+01 7.606065313e+01 2.28 2.719102208e+01 5.656032121e+01 7.127541348e+01 2.30 2.479460123e+01 5.255589370e+01 6.674527491e+01 2.32 2.252065537e+01 4.882530749e+01 6.244109472e+01 2.34 2.036728251e+01 4.534280654e+01 5.834285015e+01 2.36 1.833259406e+01 4.208288502e+01 5.443821777e+01 2.38 1.641469248e+01 3.902108189e+01 5.071994919e+01 2.40 1.461164938e+01 3.613489626e+01 4.718317396e+01 2.42 1.292148418e+01 3.340472519e+01 4.382372361e+01 2.44 1.134214328e+01 3.081465817e+01 4.063753209e+01 2.46 9.871479807e+00 2.835290928e+01 3.762044696e+01 2.48 8.507234156e+00 2.601167920e+01 3.476811576e+01 2.50 7.247015350e+00 2.378637604e+01 3.207593037e+01 2.52 6.088283439e+00 2.167439558e+01 2.953900211e+01 2.54 5.028333158e+00 1.967393065e+01 2.715214436e+01 2.56 4.064279076e+00 1.778325711e+01 2.490986211e+01 2.58 3.193042549e+00 1.600053239e+01 2.280635137e+01 2.60 2.411340808e+00 1.432379584e+01 2.083551086e+01 2.62 1.715678557e+00 1.275096654e+01 1.899096861e+01 2.64 1.102342515e+00 1.127982735e+01 1.726612609e+01 2.66 5.673993430e-01 9.908008864e+00 1.565422249e+01 2.68 1.066974615e-01 8.632974973e+00 1.414842103e+01 2.70 -2.841267611e-01 7.452010733e+00 1.274191818e+01 2.72 -6.096379218e-01 6.362212962e+00 1.142807415e+01 2.74 -8.745851176e-01 5.360484293e+00 1.020056021e+01 2.76 -1.083879648e+00 4.443531438e+00 9.053513079e+00 2.78 -1.242566507e+00 3.607868533e+00 7.981681525e+00 2.80 -1.355789405e+00 2.849826523e+00 6.980543730e+00 2.82 -1.428749196e+00 2.165569599e+00 6.046370096e+00 2.84 -1.466655811e+00 1.551119723e+00 5.176207038e+00 2.86 -1.474674021e+00 1.002390104e+00 4.367767921e+00 2.88 -1.457863690e+00 5.152282412e-01 3.619240449e+00 2.90 -1.421115489e+00 8.546851110e-02 2.929051928e+00 2.92 -1.369083459e+00 -2.910067329e-01 2.295659021e+00 2.94 -1.306116209e+00 -6.182001710e-01 1.717421382e+00 2.96 -1.236188993e+00 -8.999315192e-01 1.192568312e+00 2.98 -1.162839364e+00 -1.139776240e+00 7.192124099e-01 3.00 -1.089109584e+00 -1.341021609e+00 2.953625853e-01 3.02 -1.017499552e+00 -1.506652612e+00 -8.107262564e-02 3.04 -9.499346009e-01 -1.639378708e+00 -4.122834959e-01 3.06 -8.877532453e-01 -1.741704865e+00 -7.005559637e-01 3.08 -8.317205337e-01 -1.816034860e+00 -9.482664306e-01 3.10 -7.820726806e-01 -1.864775119e+00 -1.157874311e+00 3.12 -7.385970707e-01 -1.890397213e+00 -1.331912155e+00 3.14 -7.007469606e-01 -1.895435332e+00 -1.472973213e+00 3.16 -6.677806958e-01 -1.882438828e+00 -1.583696302e+00 3.18 -6.389014399e-01 -1.853923498e+00 -1.666747960e+00 3.20 -6.133613207e-01 -1.812338981e+00 -1.724801851e+00 3.22 -5.904975215e-01 -1.760042785e+00 -1.760515544e+00 3.24 -5.697009016e-01 -1.699274330e+00 -1.776504859e+00 3.26 -5.503667637e-01 -1.632128555e+00 -1.775316075e+00 3.28 -5.318880923e-01 -1.560529725e+00 -1.759396498e+00 3.30 -5.136993728e-01 -1.486206267e+00 -1.731064017e+00 3.32 -4.953350953e-01 -1.410667652e+00 -1.692476511e+00 3.34 -4.764732706e-01 -1.335184558e+00 -1.645602244e+00 3.36 -4.569491269e-01 -1.260773824e+00 -1.592192700e+00 3.38 -4.367347935e-01 -1.188190013e+00 -1.533759740e+00 3.40 -4.158948162e-01 -1.117925713e+00 -1.471559427e+00 3.42 -3.945389475e-01 -1.050222926e+00 -1.406585414e+00 3.44 -3.727911676e-01 -9.850979090e-01 -1.339575200e+00 3.46 -3.507775938e-01 -9.223812915e-01 -1.271032662e+00 3.48 -3.286238515e-01 -8.617739015e-01 -1.201269539e+00 3.50 -3.064545144e-01 -8.029160399e-01 -1.130466393e+00 3.52 -2.843926527e-01 -7.454638397e-01 -1.058749327e+00 3.54 -2.625593084e-01 -6.891613630e-01 -9.862723827e-01 3.56 -2.410728887e-01 -6.338931338e-01 -9.132885637e-01 3.58 -2.200484736e-01 -5.797023410e-01 -8.401889221e-01 3.60 -1.995970361e-01 -5.267687299e-01 -7.674953476e-01 3.62 -1.798245716e-01 -4.753569043e-01 -6.958117489e-01 3.64 -1.608311370e-01 -4.257606091e-01 -6.257609121e-01 3.66 -1.427098034e-01 -3.782659528e-01 -5.579381469e-01 3.68 -1.255455253e-01 -3.331361408e-01 -4.928900139e-01 3.70 -1.094139397e-01 -2.906060717e-01 -4.311058170e-01 3.72 -9.438010861e-02 -2.508787567e-01 -3.730118116e-01 3.74 -8.049722974e-02 -2.141218494e-01 -3.189658758e-01 3.76 -6.780534598e-02 -1.804642550e-01 -2.692526286e-01 3.78 -5.633009876e-02 -1.499929345e-01 -2.240791704e-01 3.80 -4.608158080e-02 -1.227500513e-01 -1.835716500e-01 3.82 -3.705336096e-02 -9.873064459e-02 -1.477729052e-01 3.84 -2.922177000e-02 -7.788105437e-02 -1.166414608e-01 3.86 -2.254555350e-02 -6.009836575e-02 -9.005221883e-02 3.88 -1.696601366e-02 -4.523117673e-02 -6.779921887e-02 3.90 -1.240777170e-02 -3.308202066e-02 -4.960087749e-02 3.92 -8.780282138e-03 -2.341177245e-02 -3.510811654e-02 3.94 -5.980211652e-03 -1.594632168e-02 -2.391573128e-02 3.96 -3.894750163e-03 -1.038567923e-02 -1.557719388e-02 3.98 -2.405839600e-03 -6.415472307e-03 -9.622796126e-03 4.00 -1.395180032e-03 -3.720453342e-03 -5.580569699e-03 4.02 -7.497029091e-04 -1.999201797e-03 -2.998778109e-03 4.04 -3.670033353e-04 -9.786744984e-04 -1.468007365e-03 4.06 -1.600394140e-04 -4.267716271e-04 -6.401568485e-04 4.08 -6.031224022e-05 -1.608326269e-04 -2.412488840e-04 4.10 -1.883691649e-05 -5.023177647e-05 -7.534766128e-05 4.12 -4.593388679e-06 -1.224903645e-05 -1.837355456e-05 4.14 -8.009209198e-07 -2.135789119e-06 -3.203683677e-06 4.16 -8.722920775e-08 -2.326112207e-07 -3.489168310e-07 4.18 -4.766078249e-09 -1.270954200e-08 -1.906431300e-08 4.20 -8.931095534e-11 -2.381625476e-10 -3.572438213e-10 4.22 -2.785438898e-13 -7.427837062e-13 -1.114175559e-12 4.24 -3.026957562e-17 -8.071886833e-17 -1.210783025e-16 4.26 -1.848333267e-24 -4.928888713e-24 -7.393333069e-24 4.28 -1.072751416e-41 -2.860670444e-41 -4.291005666e-41 4.30 -2.702619953e-137 -7.206986540e-137 -1.081047981e-136 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 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