# 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 = CdSe3 # 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 2.414387506e+04 nan nan 0.88 2.103307000e+04 nan nan 0.90 1.836943021e+04 nan nan 0.92 1.608120506e+04 nan nan 0.94 1.411429342e+04 2.391227255e+04 nan 0.96 1.242228052e+04 2.104534186e+04 2.496337000e+04 0.98 1.096235988e+04 1.856004815e+04 2.204871003e+04 1.00 9.699817720e+03 1.640451732e+04 1.952520391e+04 1.02 8.605152547e+03 1.453869548e+04 1.733727153e+04 1.04 7.652106114e+03 1.292735738e+04 1.543137837e+04 1.06 6.819497227e+03 1.153385664e+04 1.376127230e+04 1.08 6.089753639e+03 1.032099021e+04 1.229324473e+04 1.10 5.446438592e+03 9.254820209e+03 1.100013682e+04 1.12 4.875196336e+03 8.309249271e+03 9.856900878e+03 1.14 4.365314848e+03 7.466867171e+03 8.842671808e+03 1.16 3.909728603e+03 6.714654000e+03 7.941788570e+03 1.18 3.503437987e+03 6.041814560e+03 7.142156130e+03 1.20 3.142189752e+03 5.439873742e+03 6.432961804e+03 1.22 2.822015617e+03 4.901720058e+03 5.803528814e+03 1.24 2.538947247e+03 4.420538606e+03 5.243414150e+03 1.26 2.289036103e+03 3.989993268e+03 4.743193020e+03 1.28 2.068519822e+03 3.604875179e+03 4.295432337e+03 1.30 1.873834737e+03 3.261032152e+03 3.894853618e+03 1.32 1.701679399e+03 2.954675628e+03 3.537194156e+03 1.34 1.549053709e+03 2.682155424e+03 3.218361654e+03 1.36 1.413114994e+03 2.440097762e+03 2.934322867e+03 1.38 1.291089106e+03 2.225363179e+03 2.681033124e+03 1.40 1.180439467e+03 2.034831583e+03 2.454316792e+03 1.42 1.079199941e+03 1.865328019e+03 2.250080591e+03 1.44 9.861389308e+02 1.713757960e+03 2.064862419e+03 1.46 9.005392741e+02 1.577268062e+03 1.896156171e+03 1.48 8.219323596e+02 1.453365976e+03 1.742122574e+03 1.50 7.499852004e+02 1.340006964e+03 1.601190502e+03 1.52 6.844113808e+02 1.235594997e+03 1.472034634e+03 1.54 6.248866083e+02 1.138914743e+03 1.353643941e+03 1.56 5.710104606e+02 1.049033793e+03 1.245263597e+03 1.58 5.223024830e+02 9.652449385e+02 1.146228328e+03 1.60 4.782156062e+02 8.870566566e+02 1.055830245e+03 1.62 4.381704733e+02 8.141499486e+02 9.732911629e+02 1.64 4.016129718e+02 7.463107284e+02 8.977904561e+02 1.66 3.680797905e+02 6.833669631e+02 8.285149403e+02 1.68 3.372323713e+02 6.251498719e+02 7.647195383e+02 1.70 3.088294541e+02 5.714844336e+02 7.057828055e+02 1.72 2.826775010e+02 5.221918895e+02 6.512280750e+02 1.74 2.586114224e+02 4.770936490e+02 6.006853598e+02 1.76 2.364902194e+02 4.360116464e+02 5.538328799e+02 1.78 2.161914165e+02 3.987618204e+02 5.103817661e+02 1.80 1.976080451e+02 3.651426831e+02 4.700877258e+02 1.82 1.806475247e+02 3.349262810e+02 4.327560655e+02 1.84 1.652272371e+02 3.078566856e+02 3.982310275e+02 1.86 1.512670306e+02 2.836545739e+02 3.663747153e+02 1.88 1.386835059e+02 2.620255747e+02 3.370504034e+02 1.90 1.273883572e+02 2.426706298e+02 3.101179676e+02 1.92 1.172885234e+02 2.252954380e+02 2.854354126e+02 1.94 1.082863934e+02 2.096176942e+02 2.628609343e+02 1.96 1.002800586e+02 1.953767453e+02 2.422549804e+02 1.98 9.316403707e+01 1.823488872e+02 2.234829692e+02 2.00 8.683063976e+01 1.703584054e+02 2.064182806e+02 2.02 8.117170958e+01 1.592727536e+02 1.909435072e+02 2.04 7.608054483e+01 1.489864795e+02 1.769480055e+02 2.06 7.145436318e+01 1.394104042e+02 1.643217799e+02 2.08 6.719812435e+01 1.304702366e+02 1.529486220e+02 2.10 6.322988671e+01 1.221076757e+02 1.427027330e+02 2.12 5.948565077e+01 1.142801991e+02 1.334504824e+02 2.14 5.592052535e+01 1.069578052e+02 1.250560292e+02 2.16 5.250578025e+01 1.001172362e+02 1.173894911e+02 2.18 4.922464965e+01 9.373656457e+01 1.103359749e+02 2.20 4.606847410e+01 8.779251280e+01 1.038020289e+02 2.22 4.303291167e+01 8.225998616e+01 9.771558718e+01 2.24 4.011522592e+01 7.711224298e+01 9.201927220e+01 2.26 3.731320713e+01 7.232119361e+01 8.666332120e+01 2.28 3.462488853e+01 6.785781639e+01 8.160380078e+01 2.30 3.204844812e+01 6.369267150e+01 7.680417015e+01 2.32 2.958217757e+01 5.979646443e+01 7.223672144e+01 2.34 2.722446426e+01 5.614059756e+01 6.788271575e+01 2.36 2.497377271e+01 5.269767070e+01 6.373087689e+01 2.38 2.282862636e+01 4.944196340e+01 5.977463859e+01 2.40 2.078758983e+01 4.635001013e+01 5.600933746e+01 2.42 1.884925150e+01 4.340135011e+01 5.243052585e+01 2.44 1.701220655e+01 4.057932974e+01 4.903347632e+01 2.46 1.527504023e+01 3.787163194e+01 4.581313499e+01 2.48 1.363631164e+01 3.527022211e+01 4.276410252e+01 2.50 1.209453766e+01 3.277059957e+01 3.988061343e+01 2.52 1.064817742e+01 3.037054666e+01 3.715652649e+01 2.54 9.295617107e+00 2.806886677e+01 3.458532998e+01 2.56 8.035155333e+00 2.586460249e+01 3.216016435e+01 2.58 6.864988987e+00 2.375680016e+01 2.987386454e+01 2.60 5.783199845e+00 2.174450420e+01 2.771902304e+01 2.62 4.787741947e+00 1.982675771e+01 2.568807292e+01 2.64 3.876429952e+00 1.800258958e+01 2.377338728e+01 2.66 3.046928617e+00 1.627100008e+01 2.196738889e+01 2.68 2.296743625e+00 1.463094641e+01 2.026266146e+01 2.70 1.623213974e+00 1.308132831e+01 1.865205434e+01 2.72 1.023506181e+00 1.162097367e+01 1.712877713e+01 2.74 4.946105794e-01 1.024862430e+01 1.568648959e+01 2.76 3.333999365e-02 8.962921907e+00 1.431940005e+01 2.78 -3.636688946e-01 7.762394334e+00 1.302238179e+01 2.80 -6.999511752e-01 6.645442328e+00 1.179109469e+01 2.82 -9.792060172e-01 5.610326887e+00 1.062207297e+01 2.84 -1.205285348e+00 4.655157480e+00 9.512734985e+00 2.86 -1.382178625e+00 3.777881386e+00 8.461291113e+00 2.88 -1.513993451e+00 2.976274451e+00 7.466555215e+00 2.90 -1.604931855e+00 2.247933652e+00 6.527700215e+00 2.92 -1.659262143e+00 1.590271886e+00 5.644028320e+00 2.94 -1.681286305e+00 1.000515478e+00 4.814823207e+00 2.96 -1.675303134e+00 4.757049650e-01 4.039300629e+00 2.98 -1.645567344e+00 1.269978243e-02 3.316612922e+00 3.00 -1.596245164e+00 -3.918124815e-01 2.645856263e+00 3.02 -1.531367118e+00 -7.413015419e-01 2.026068180e+00 3.04 -1.454778892e+00 -1.039373868e+00 1.456221983e+00 3.06 -1.370091482e+00 -1.289745455e+00 9.352211771e-01 3.08 -1.280632021e+00 -1.496207372e+00 4.618942102e-01 3.10 -1.189396970e+00 -1.662583816e+00 3.498960652e-02 3.12 -1.099009572e+00 -1.792682841e+00 -3.468284102e-01 3.14 -1.011683688e+00 -1.890240680e+00 -6.849837201e-01 3.16 -9.291962935e-01 -1.958861629e+00 -9.809914304e-01 3.18 -8.528710558e-01 -2.001956973e+00 -1.236460202e+00 3.20 -7.835753801e-01 -2.022688245e+00 -1.453093656e+00 3.22 -7.217331741e-01 -2.023922069e+00 -1.632690715e+00 3.24 -6.673550771e-01 -2.008205232e+00 -1.777144751e+00 3.26 -6.200869257e-01 -1.977768243e+00 -1.888441369e+00 3.28 -5.792755547e-01 -1.934561766e+00 -1.968654688e+00 3.30 -5.440486071e-01 -1.880321462e+00 -2.019941950e+00 3.32 -5.134021972e-01 -1.816643775e+00 -2.044536321e+00 3.34 -4.862881090e-01 -1.745044449e+00 -2.044737738e+00 3.36 -4.616924906e-01 -1.666975593e+00 -2.022901684e+00 3.38 -4.387019924e-01 -1.583803270e+00 -1.981425803e+00 3.40 -4.165589695e-01 -1.496776932e+00 -1.922734297e+00 3.42 -3.947073998e-01 -1.407018415e+00 -1.849260116e+00 3.44 -3.728193945e-01 -1.315530233e+00 -1.763424984e+00 3.46 -3.507801034e-01 -1.223213385e+00 -1.667617423e+00 3.48 -3.286239303e-01 -1.130890084e+00 -1.564168982e+00 3.50 -3.064545147e-01 -1.039328019e+00 -1.455329018e+00 3.52 -2.843926527e-01 -9.492615093e-01 -1.343238472e+00 3.54 -2.625593084e-01 -8.614041249e-01 -1.229903214e+00 3.56 -2.410728887e-01 -7.764481278e-01 -1.117167661e+00 3.58 -2.200484736e-01 -6.950492116e-01 -1.006689529e+00 3.60 -1.995970361e-01 -6.178001278e-01 -8.999167127e-01 3.62 -1.798245716e-01 -5.452014344e-01 -7.980674552e-01 3.64 -1.608311370e-01 -4.776380888e-01 -7.021151699e-01 3.66 -1.427098034e-01 -4.153659265e-01 -6.127794349e-01 3.68 -1.255455253e-01 -3.585069643e-01 -5.305248944e-01 3.70 -1.094139397e-01 -3.070518301e-01 -4.555699156e-01 3.72 -9.438010861e-02 -2.608695277e-01 -3.879067871e-01 3.74 -8.049722974e-02 -2.197255121e-01 -3.273347486e-01 3.76 -6.780534598e-02 -1.833083534e-01 -2.735058618e-01 3.78 -5.633009876e-02 -1.512635736e-01 -2.259812692e-01 3.80 -4.608158080e-02 -1.232306366e-01 -1.842915973e-01 3.82 -3.705336096e-02 -9.887602110e-02 -1.479908015e-01 3.84 -2.922177000e-02 -7.791331951e-02 -1.166898379e-01 3.86 -2.254555350e-02 -6.010294516e-02 -9.005908650e-02 3.88 -1.696601366e-02 -4.523150596e-02 -6.779971268e-02 3.90 -1.240777170e-02 -3.308202846e-02 -4.960088919e-02 3.92 -8.780282138e-03 -2.341177248e-02 -3.510811658e-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 0.000000000e+00 4.60 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