# 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 = SeZn3 # 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 9.630641942e+03 nan nan 0.88 8.391293813e+03 nan nan 0.90 7.334512677e+03 nan nan 0.92 6.425970989e+03 nan nan 0.94 5.641067807e+03 9.520196150e+03 nan 0.96 4.960476865e+03 8.387541780e+03 1.006705623e+04 0.98 4.368306840e+03 7.414921782e+03 8.896259006e+03 1.00 3.852784102e+03 6.572803283e+03 7.865240034e+03 1.02 3.403915528e+03 5.834990286e+03 6.957966433e+03 1.04 3.011838204e+03 5.182858886e+03 6.160637916e+03 1.06 2.667863281e+03 4.606050490e+03 5.460175692e+03 1.08 2.365639038e+03 4.097541761e+03 4.845458277e+03 1.10 2.100311709e+03 3.650128550e+03 4.307411961e+03 1.12 1.867513179e+03 3.256371207e+03 3.837306874e+03 1.14 1.663193705e+03 2.909066926e+03 3.426224489e+03 1.16 1.483624168e+03 2.601551937e+03 3.065775253e+03 1.18 1.325575206e+03 2.328263172e+03 2.748975827e+03 1.20 1.186348550e+03 2.085359420e+03 2.470702408e+03 1.22 1.063625990e+03 1.870335264e+03 2.226855866e+03 1.24 9.553664565e+02 1.681036370e+03 2.013246114e+03 1.26 8.596623581e+02 1.515178058e+03 1.825452214e+03 1.28 7.746310194e+02 1.370224708e+03 1.659138087e+03 1.30 6.985408059e+02 1.243400116e+03 1.510386536e+03 1.32 6.301039058e+02 1.131805276e+03 1.375926534e+03 1.34 5.685674852e+02 1.032595768e+03 1.253371935e+03 1.36 5.134355827e+02 9.431915101e+02 1.141361817e+03 1.38 4.642121048e+02 8.615110484e+02 1.039183798e+03 1.40 4.203633999e+02 7.861080291e+02 9.462771412e+02 1.42 3.813416465e+02 7.161193688e+02 8.620747716e+02 1.44 3.466062619e+02 6.511104302e+02 7.859686333e+02 1.46 3.156283037e+02 5.908730774e+02 7.172942403e+02 1.48 2.878805196e+02 5.352826720e+02 6.553317526e+02 1.50 2.628437643e+02 4.842346945e+02 5.993242784e+02 1.52 2.400519819e+02 4.376149628e+02 5.485122630e+02 1.54 2.191526130e+02 3.952859410e+02 5.021724711e+02 1.56 1.999329452e+02 3.570824315e+02 4.596599935e+02 1.58 1.822795886e+02 3.228103842e+02 4.204585314e+02 1.60 1.661092599e+02 2.922467430e+02 3.842108567e+02 1.62 1.513366771e+02 2.651404268e+02 3.506822522e+02 1.64 1.378722118e+02 2.412147280e+02 3.196927363e+02 1.66 1.256242442e+02 2.201713960e+02 2.910907853e+02 1.68 1.145017100e+02 2.016965570e+02 2.647541092e+02 1.70 1.044158517e+02 1.854684325e+02 2.405866542e+02 1.72 9.528035500e+01 1.711668316e+02 2.185088479e+02 1.74 8.701043054e+01 1.584847526e+02 1.984449434e+02 1.76 7.952311888e+01 1.471416766e+02 1.803126326e+02 1.78 7.274001519e+01 1.368941837e+02 1.640186266e+02 1.80 6.659042934e+01 1.275380900e+02 1.494579465e+02 1.82 6.101227584e+01 1.189061842e+02 1.365140915e+02 1.84 5.594939709e+01 1.108722635e+02 1.250596455e+02 1.86 5.134672267e+01 1.033562380e+02 1.149574610e+02 1.88 4.714723039e+01 9.631466968e+01 1.060626015e+02 1.90 4.329312932e+01 8.971962977e+01 9.822519066e+01 1.92 3.972990097e+01 8.354437128e+01 9.129419284e+01 1.94 3.641120431e+01 7.776032470e+01 8.512190207e+01 1.96 3.330279982e+01 7.233748802e+01 7.956867739e+01 1.98 3.038319860e+01 6.724530075e+01 7.450756445e+01 2.00 2.764018315e+01 6.245389081e+01 6.982910144e+01 2.02 2.506595907e+01 5.793562341e+01 6.544690957e+01 2.04 2.265447886e+01 5.366671643e+01 6.130251996e+01 2.06 2.040051521e+01 4.962849031e+01 5.736457930e+01 2.08 1.829898374e+01 4.580770951e+01 5.361992179e+01 2.10 1.634451782e+01 4.219566383e+01 5.006219771e+01 2.12 1.453135922e+01 3.878627273e+01 4.668582020e+01 2.14 1.285336902e+01 3.557421245e+01 4.348485090e+01 2.16 1.130406393e+01 3.255394659e+01 4.045295425e+01 2.18 9.876681738e+00 2.971952142e+01 3.758337998e+01 2.20 8.564282977e+00 2.706455274e+01 3.486896915e+01 2.22 7.359891358e+00 2.458221806e+01 3.230219446e+01 2.24 6.256669908e+00 2.226526104e+01 2.987524297e+01 2.26 5.248120240e+00 2.010601534e+01 2.758014862e+01 2.28 4.328278761e+00 1.809645269e+01 2.540897813e+01 2.30 3.491868221e+00 1.622826058e+01 2.335406725e+01 2.32 2.734353022e+00 1.449295489e+01 2.140829144e+01 2.34 2.051855678e+00 1.288203149e+01 1.956533862e+01 2.36 1.440934184e+00 1.138715774e+01 1.781993099e+01 2.38 8.982924394e-01 1.000039780e+01 1.616792982e+01 2.40 4.205496225e-01 8.714455033e+00 1.460626422e+01 2.42 4.152463234e-03 7.522900015e+00 1.313267154e+01 2.44 -3.546079745e-01 6.420336555e+00 1.174532275e+01 2.46 -6.595604594e-01 5.402449052e+00 1.044248094e+01 2.48 -9.146231840e-01 4.465885574e+00 9.222315966e+00 2.50 -1.123770377e+00 3.607975881e+00 8.082862869e+00 2.52 -1.290993114e+00 2.826359180e+00 7.022024768e+00 2.54 -1.420254565e+00 2.118658443e+00 6.037572033e+00 2.56 -1.515440521e+00 1.482310962e+00 5.127140686e+00 2.58 -1.580306568e+00 9.145403512e-01 4.288234354e+00 2.60 -1.618424053e+00 4.123725858e-01 3.518230676e+00 2.62 -1.633127935e+00 -2.735413001e-02 2.814392728e+00 2.64 -1.627470756e+00 -4.079810870e-01 2.173885994e+00 2.66 -1.604188178e+00 -7.330163896e-01 1.593801194e+00 2.68 -1.565682650e+00 -1.006116783e+00 1.071182965e+00 2.70 -1.514032086e+00 -1.231063536e+00 6.030638761e-01 2.72 -1.451029268e+00 -1.411732072e+00 1.865025102e-01 2.74 -1.378253716e+00 -1.552055309e+00 -1.813766799e-01 2.76 -1.297170092e+00 -1.655980969e+00 -5.033452754e-01 2.78 -1.209236087e+00 -1.727423662e+00 -7.820394036e-01 2.80 -1.115991778e+00 -1.770213124e+00 -1.019940756e+00 2.82 -1.019099745e+00 -1.788040769e+00 -1.219376146e+00 2.84 -9.203205015e-01 -1.784407500e+00 -1.382539988e+00 2.86 -8.214398844e-01 -1.762576450e+00 -1.511539781e+00 2.88 -7.241893731e-01 -1.725534621e+00 -1.608457554e+00 2.90 -6.301876181e-01 -1.675967080e+00 -1.675412263e+00 2.92 -5.408991962e-01 -1.616245857e+00 -1.714604189e+00 2.94 -4.575980034e-01 -1.548433091e+00 -1.728328560e+00 2.96 -3.813318383e-01 -1.474294793e+00 -1.718961950e+00 2.98 -3.128894274e-01 -1.395319818e+00 -1.688938339e+00 3.00 -2.527720892e-01 -1.312740996e+00 -1.640727743e+00 3.02 -2.011728457e-01 -1.227563082e+00 -1.576817510e+00 3.04 -1.579665421e-01 -1.140609983e+00 -1.499692767e+00 3.06 -1.227153879e-01 -1.052599563e+00 -1.411814983e+00 3.08 -9.469507406e-02 -9.642334842e-01 -1.315598778e+00 3.10 -7.294668017e-02 -8.762684080e-01 -1.213387290e+00 3.12 -5.635788224e-02 -7.895355948e-01 -1.107426526e+00 3.14 -4.377191902e-02 -7.049032117e-01 -9.998392147e-01 3.16 -3.411294927e-02 -6.232136743e-01 -8.925988204e-01 3.18 -2.650261433e-02 -5.452371362e-01 -7.875044676e-01 3.20 -2.033119326e-02 -4.716493794e-01 -6.861576466e-01 3.22 -1.525159828e-02 -4.030197330e-01 -5.899416740e-01 3.24 -1.109837716e-02 -3.398016319e-01 -5.000049541e-01 3.26 -7.782498524e-03 -2.823254059e-01 -4.172491342e-01 3.28 -5.222970967e-03 -2.307939493e-01 -3.423232245e-01 3.30 -3.326733945e-03 -1.852819218e-01 -2.756246293e-01 3.32 -1.989701906e-03 -1.457389980e-01 -2.173077482e-01 3.34 -1.102118091e-03 -1.119973916e-01 -1.673002917e-01 3.36 -5.551752007e-04 -8.378339912e-02 -1.253266518e-01 3.38 -2.481726006e-04 -6.073204589e-02 -9.093661707e-02 3.40 -9.517863347e-05 -4.240321743e-02 -6.353662340e-02 3.42 -2.985470407e-05 -2.829727493e-02 -4.242012952e-02 3.44 -7.140508112e-06 -1.786863899e-02 -2.679444106e-02 3.46 -1.170058502e-06 -1.053771407e-02 -1.580418679e-02 3.48 -1.106046389e-07 -5.704584055e-03 -8.556332994e-03 3.50 -4.491199369e-09 -2.770216783e-03 -4.155229880e-03 3.52 -4.512594638e-11 -1.169109483e-03 -1.753652284e-03 3.54 -3.498470893e-14 -4.098882116e-04 -6.148313583e-04 3.56 -1.082750267e-19 -1.116827174e-04 -1.675240341e-04 3.58 -4.117229990e-32 -2.133402747e-05 -3.200104042e-05 3.60 -2.757815590e-86 -2.415143835e-06 -3.622715748e-06 3.62 0.000000000e+00 -1.207607616e-07 -1.811411423e-07 3.64 0.000000000e+00 -1.515777305e-09 -2.273665958e-09 3.66 0.000000000e+00 -1.379308698e-12 -2.068963047e-12 3.68 0.000000000e+00 -3.139518953e-18 -4.709278429e-18 3.70 0.000000000e+00 -2.630490300e-32 -3.945735450e-32 3.72 0.000000000e+00 -1.328287517e-129 -1.992431275e-129 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 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