# 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 = 2013--Zhou-X-W--Zn-Cd-Hg-S-Se-Te--LAMMPS--ipr1 # 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 1.279592837e+04 nan nan 0.80 1.096731509e+04 nan nan 0.82 9.435337716e+03 nan nan 0.84 8.149343045e+03 nan nan 0.86 7.064581998e+03 1.197968108e+04 nan 0.88 6.144059569e+03 1.042717170e+04 1.235124552e+04 0.90 5.358870690e+03 9.103996980e+03 1.077895568e+04 0.92 4.685221313e+03 7.970867623e+03 9.435355424e+03 0.94 4.104385211e+03 6.995351616e+03 8.282469302e+03 0.96 3.603023366e+03 6.153013206e+03 7.290631347e+03 0.98 3.170038953e+03 5.423449031e+03 6.436194856e+03 1.00 2.796205923e+03 4.789190432e+03 5.698681383e+03 1.02 2.474127977e+03 4.237245434e+03 5.060635378e+03 1.04 2.196711997e+03 3.758141422e+03 4.505834390e+03 1.06 1.956953449e+03 3.343305526e+03 4.019199427e+03 1.08 1.748664622e+03 2.983536896e+03 3.589073303e+03 1.10 1.566491733e+03 2.669184595e+03 3.207847779e+03 1.12 1.405731738e+03 2.391720903e+03 2.869808599e+03 1.14 1.262535319e+03 2.145258122e+03 2.569973866e+03 1.16 1.134101527e+03 1.926179484e+03 2.304115163e+03 1.18 1.018552912e+03 1.731698396e+03 2.068654589e+03 1.20 9.144447993e+02 1.559265278e+03 1.860320933e+03 1.22 8.205523892e+02 1.406492742e+03 1.675852185e+03 1.24 7.358881478e+02 1.270991433e+03 1.511979242e+03 1.26 6.596996837e+02 1.150301789e+03 1.365615523e+03 1.28 5.914143101e+02 1.042122153e+03 1.234248232e+03 1.30 5.305182959e+02 9.446095893e+02 1.116218698e+03 1.32 4.764489676e+02 8.564447105e+02 1.010479737e+03 1.34 4.285625077e+02 7.766889579e+02 9.160928971e+02 1.36 3.861466242e+02 7.046579352e+02 8.320219028e+02 1.38 3.484488982e+02 6.397949207e+02 7.571340572e+02 1.40 3.147293905e+02 5.815355868e+02 6.902327051e+02 1.42 2.843475148e+02 5.292363556e+02 6.301159402e+02 1.44 2.568450111e+02 4.821840227e+02 5.756846579e+02 1.46 2.319453725e+02 4.396479346e+02 5.260773741e+02 1.48 2.094663119e+02 4.009554569e+02 4.807215240e+02 1.50 1.892511510e+02 3.655642209e+02 4.392404505e+02 1.52 1.711522176e+02 3.330903149e+02 4.013467650e+02 1.54 1.550247999e+02 3.032809633e+02 3.668053635e+02 1.56 1.407164273e+02 2.759636080e+02 3.354054548e+02 1.58 1.280579327e+02 2.509925854e+02 3.069310459e+02 1.60 1.168629160e+02 2.282180733e+02 2.811469117e+02 1.62 1.069342339e+02 2.074831836e+02 2.577968683e+02 1.64 9.807600255e+01 1.886289364e+02 2.366105013e+02 1.66 9.011005470e+01 1.714999376e+02 2.173177381e+02 1.68 8.289158712e+01 1.559492599e+02 1.996690745e+02 1.70 7.631412014e+01 1.418416712e+02 1.834568463e+02 1.72 7.029836510e+01 1.290554498e+02 1.685286115e+02 1.74 6.477628852e+01 1.174835384e+02 1.547828103e+02 1.76 5.968536869e+01 1.070342905e+02 1.421467754e+02 1.78 5.497104976e+01 9.763051492e+01 1.305534861e+02 1.80 5.059032140e+01 8.920433308e+01 1.199319491e+02 1.82 4.651305773e+01 8.168896037e+01 1.102069503e+02 1.84 4.271975700e+01 7.501263762e+01 1.013009501e+02 1.86 3.919676808e+01 6.909735694e+01 9.313679488e+01 1.88 3.593232679e+01 6.386030282e+01 8.564109867e+01 1.90 3.291517405e+01 5.921628833e+01 7.874786531e+01 1.92 3.013426924e+01 5.508066791e+01 7.240155877e+01 1.94 2.757831676e+01 5.137208620e+01 6.655861534e+01 1.96 2.523512715e+01 4.801471194e+01 6.118665766e+01 1.98 2.309114137e+01 4.494075912e+01 5.626142199e+01 2.00 2.113129499e+01 4.209408067e+01 5.176231426e+01 2.02 1.933915142e+01 3.943298127e+01 4.766836030e+01 2.04 1.769726074e+01 3.692947923e+01 4.395612960e+01 2.06 1.618779592e+01 3.456540073e+01 4.059928852e+01 2.08 1.479349340e+01 3.232864641e+01 3.756864830e+01 2.10 1.349881476e+01 3.021110926e+01 3.483243373e+01 2.12 1.229105977e+01 2.820691940e+01 3.235689154e+01 2.14 1.116097764e+01 2.631084993e+01 3.010736764e+01 2.16 1.010247542e+01 2.451754472e+01 2.804992695e+01 2.18 9.111554391e+00 2.282142228e+01 2.615342567e+01 2.20 8.185261314e+00 2.121675106e+01 2.439163931e+01 2.22 7.321200997e+00 1.969775097e+01 2.274468251e+01 2.24 6.517320564e+00 1.825873657e+01 2.119886809e+01 2.26 5.771692745e+00 1.689430038e+01 1.974483833e+01 2.28 5.082359300e+00 1.559952266e+01 1.837515922e+01 2.30 4.447277037e+00 1.437017204e+01 1.708299546e+01 2.32 3.864312978e+00 1.320284601e+01 1.586199680e+01 2.34 3.331243416e+00 1.209499276e+01 1.470652889e+01 2.36 2.845752989e+00 1.104478002e+01 1.361186977e+01 2.38 2.405436240e+00 1.005084052e+01 1.257430092e+01 2.40 2.007802184e+00 9.112000019e+00 1.159104294e+01 2.42 1.650282194e+00 8.227103406e+00 1.066002578e+01 2.44 1.330241479e+00 7.394958762e+00 9.779561357e+00 2.46 1.044994490e+00 6.614330368e+00 8.948052485e+00 2.48 7.918245128e-01 5.883933948e+00 8.163847303e+00 2.50 5.680076406e-01 5.202430647e+00 7.425223377e+00 2.52 3.708412797e-01 4.568421857e+00 6.730410175e+00 2.54 1.976771785e-01 3.980445177e+00 6.077608716e+00 2.56 4.595874493e-02 3.436971765e+00 5.465013513e+00 2.58 -8.673793460e-02 2.936405229e+00 4.890840538e+00 2.60 -2.026604984e-01 2.477082300e+00 4.353360110e+00 2.62 -3.038360667e-01 2.057275499e+00 3.850932256e+00 2.64 -3.920293930e-01 1.675198062e+00 3.382039352e+00 2.66 -4.687078708e-01 1.329011265e+00 2.945310213e+00 2.68 -5.350194248e-01 1.016834477e+00 2.539527762e+00 2.70 -5.917905844e-01 7.367579369e-01 2.163614965e+00 2.72 -6.395521413e-01 4.868582535e-01 1.816597950e+00 2.74 -6.785973765e-01 2.652165845e-01 1.497554589e+00 2.76 -7.090714435e-01 6.993892126e-02 1.205564419e+00 2.78 -7.310796612e-01 -1.008221953e-01 9.396764180e-01 2.80 -7.447899302e-01 -2.488459415e-01 6.988985271e-01 2.82 -7.504982614e-01 -3.758231466e-01 4.821989832e-01 2.84 -7.486376363e-01 -4.833404449e-01 2.885086291e-01 2.86 -7.397410166e-01 -5.728715182e-01 1.167223501e-01 2.88 -7.243960980e-01 -6.457784338e-01 -3.429913152e-02 2.90 -7.032203335e-01 -7.033253649e-01 -1.657266493e-01 2.92 -6.768532956e-01 -7.467050102e-01 -2.787591011e-01 2.94 -6.459535147e-01 -7.770745622e-01 -3.746190262e-01 2.96 -6.111950716e-01 -7.955935934e-01 -4.545472178e-01 2.98 -5.732634221e-01 -8.034526670e-01 -5.197963486e-01 3.00 -5.328504068e-01 -8.018822044e-01 -5.716236052e-01 3.02 -4.906484228e-01 -7.921388122e-01 -6.112823483e-01 3.04 -4.473437537e-01 -7.754778669e-01 -6.400128433e-01 3.06 -4.036090797e-01 -7.531262851e-01 -6.590321323e-01 3.08 -3.600952181e-01 -7.262619582e-01 -6.695231680e-01 3.10 -3.174221845e-01 -6.959970646e-01 -6.726233656e-01 3.12 -2.761697027e-01 -6.633620220e-01 -6.694127916e-01 3.14 -2.368673445e-01 -6.292896133e-01 -6.609022757e-01 3.16 -1.999845316e-01 -5.945998363e-01 -6.480218155e-01 3.18 -1.659206943e-01 -5.599862856e-01 -6.316097454e-01 3.20 -1.349959467e-01 -5.260051076e-01 -6.124032590e-01 3.22 -1.074427162e-01 -4.930678396e-01 -5.910310156e-01 3.24 -8.339884526e-02 -4.614397078e-01 -5.680087019e-01 3.26 -6.290278197e-02 -4.312451244e-01 -5.437385515e-01 3.28 -4.589158206e-02 -4.024820220e-01 -5.185138952e-01 3.30 -3.220255376e-02 -3.750460141e-01 -4.925297499e-01 3.32 -2.157946617e-02 -3.487639034e-01 -4.659001548e-01 3.34 -1.368425464e-02 -3.234336185e-01 -4.386822919e-01 3.36 -8.114995052e-03 -2.988647172e-01 -4.109062771e-01 3.38 -4.430430388e-03 -2.749115631e-01 -3.826078736e-01 3.40 -2.180333905e-03 -2.514924178e-01 -3.538594983e-01 3.42 -9.393560411e-04 -2.285930141e-01 -3.247934414e-01 3.44 -3.398431430e-04 -2.062592817e-01 -2.956113086e-01 3.46 -9.708254872e-05 -1.845845839e-01 -2.665765375e-01 3.48 -1.991539795e-05 -1.636931732e-01 -2.379925267e-01 3.50 -2.514158485e-06 -1.437220205e-01 -2.101749808e-01 3.52 -1.494077861e-07 -1.248059816e-01 -1.834286416e-01 3.54 -2.515585697e-09 -1.070690636e-01 -1.580331518e-01 3.56 -4.031893828e-12 -9.062000422e-02 -1.342355587e-01 3.58 -3.553468480e-17 -7.554927252e-02 -1.122452096e-01 3.60 -4.361997003e-29 -6.192626522e-02 -9.222925217e-02 3.62 -3.630007131e-91 -4.979658217e-02 -7.430859615e-02 3.64 0.000000000e+00 -3.917950474e-02 -5.855453286e-02 3.66 0.000000000e+00 -3.006585564e-02 -4.498626419e-02 3.68 0.000000000e+00 -2.241647349e-02 -3.356964643e-02 3.70 0.000000000e+00 -1.616159523e-02 -2.421751466e-02 3.72 0.000000000e+00 -1.120149775e-02 -1.679201545e-02 3.74 0.000000000e+00 -7.408789553e-03 -1.110942183e-02 3.76 0.000000000e+00 -4.632735560e-03 -6.947893594e-03 3.78 0.000000000e+00 -2.705897747e-03 -4.058516265e-03 3.80 0.000000000e+00 -1.453125567e-03 -2.179614588e-03 3.82 0.000000000e+00 -7.024778112e-04 -1.053703917e-03 3.84 0.000000000e+00 -2.969916927e-04 -4.454859285e-04 3.86 0.000000000e+00 -1.054395153e-04 -1.581591397e-04 3.88 0.000000000e+00 -2.963753622e-05 -4.445629804e-05 3.90 0.000000000e+00 -6.035827701e-06 -9.053741415e-06 3.92 0.000000000e+00 -7.741307051e-07 -1.161196057e-06 3.94 0.000000000e+00 -4.941919442e-08 -7.412879163e-08 3.96 0.000000000e+00 -1.024014389e-09 -1.536021584e-09 3.98 0.000000000e+00 -2.895297865e-12 -4.342946798e-12 4.00 0.000000000e+00 -1.418126971e-16 -2.127190457e-16 4.02 0.000000000e+00 -1.959267301e-25 -2.938900952e-25 4.04 0.000000000e+00 -4.306274410e-54 -6.459411615e-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 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