# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = MgPd3 # 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 2024-04-11 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 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 3.876262893e+02 nan nan 1.16 3.567550945e+02 nan nan 1.18 3.283755163e+02 nan nan 1.20 3.022671848e+02 nan nan 1.22 2.782330913e+02 nan nan 1.24 2.560955558e+02 nan nan 1.26 2.356927129e+02 nan nan 1.28 2.168770227e+02 3.361479447e+02 3.850866191e+02 1.30 1.995150338e+02 3.114755567e+02 3.575403594e+02 1.32 1.834864690e+02 2.886161836e+02 3.319890040e+02 1.34 1.686822904e+02 2.674259486e+02 3.082736896e+02 1.36 1.550029512e+02 2.477730321e+02 2.862506878e+02 1.38 1.423575214e+02 2.295365543e+02 2.657894980e+02 1.40 1.306630362e+02 2.126060412e+02 2.467711676e+02 1.42 1.198434073e+02 1.968807576e+02 2.290866986e+02 1.44 1.098282012e+02 1.822687079e+02 2.126356752e+02 1.46 1.005520211e+02 1.686856712e+02 1.973253994e+02 1.48 9.195462127e+01 1.560544067e+02 1.830704410e+02 1.50 8.398123335e+01 1.443038670e+02 1.697923387e+02 1.52 7.661590345e+01 1.333684173e+02 1.574192594e+02 1.54 6.984593849e+01 1.231872660e+02 1.458853791e+02 1.56 6.362391968e+01 1.137041743e+02 1.351300382e+02 1.58 5.790665836e+01 1.048673109e+02 1.250970587e+02 1.60 5.265421269e+01 9.662908787e+01 1.157344065e+02 1.62 4.782949095e+01 8.894589936e+01 1.069940123e+02 1.64 4.339821115e+01 8.177879384e+01 9.883155146e+01 1.66 3.932892781e+01 7.512901913e+01 9.120617847e+01 1.68 3.559293621e+01 6.897807483e+01 8.408026804e+01 1.70 3.216400416e+01 6.328884588e+01 7.743760164e+01 1.72 2.901797979e+01 5.802710602e+01 7.127919973e+01 1.74 2.613238592e+01 5.316097139e+01 6.557058366e+01 1.76 2.348612418e+01 4.866069619e+01 6.027915165e+01 1.78 2.105937079e+01 4.449869257e+01 5.537474224e+01 1.80 1.883367167e+01 4.064957965e+01 5.082934763e+01 1.82 1.679213008e+01 3.709011231e+01 4.661686402e+01 1.84 1.491952733e+01 3.379897505e+01 4.271292633e+01 1.86 1.320227258e+01 3.075651192e+01 3.909486226e+01 1.88 1.162820954e+01 2.794447881e+01 3.574171074e+01 1.90 1.018637562e+01 2.534588477e+01 3.263421396e+01 1.92 8.866793452e+00 2.294492807e+01 2.975472106e+01 1.94 7.660323248e+00 2.072698818e+01 2.708701679e+01 1.96 6.558561834e+00 1.867861771e+01 2.461612979e+01 1.98 5.553759731e+00 1.678748941e+01 2.232816849e+01 2.00 4.638734549e+00 1.504228965e+01 2.021021101e+01 2.02 3.806774498e+00 1.343257952e+01 1.825024311e+01 2.04 3.051543423e+00 1.194866030e+01 1.643712036e+01 2.06 2.367008945e+00 1.058146967e+01 1.476052490e+01 2.08 1.747411895e+00 9.322517798e+00 1.321089928e+01 2.10 1.187282419e+00 8.163857464e+00 1.177936051e+01 2.12 6.814873902e-01 7.098075597e+00 1.045761267e+01 2.14 2.252828190e-01 6.118291618e+00 9.237882040e+00 2.16 -1.856515682e-01 5.218151228e+00 8.112889303e+00 2.18 -5.552060891e-01 4.391808957e+00 7.075852935e+00 2.20 -8.868596643e-01 3.633901308e+00 6.120499097e+00 2.22 -1.183718112e+00 2.939512321e+00 5.241053413e+00 2.24 -1.448561832e+00 2.304137954e+00 4.432203978e+00 2.26 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-2.849077321e+00 -2.750141444e+00 -2.513597353e+00 2.64 -2.820466955e+00 -2.812406384e+00 -2.616006259e+00 2.66 -2.788689873e+00 -2.864329988e+00 -2.704322635e+00 2.68 -2.754289339e+00 -2.906329454e+00 -2.779599920e+00 2.70 -2.717688306e+00 -2.938831896e+00 -2.842426280e+00 2.72 -2.679217726e+00 -2.962276664e+00 -2.893512048e+00 2.74 -2.639142916e+00 -2.977166190e+00 -2.933680665e+00 2.76 -2.597684991e+00 -2.984099810e+00 -2.963843924e+00 2.78 -2.555036375e+00 -2.983670335e+00 -2.984960934e+00 2.80 -2.511371097e+00 -2.976450287e+00 -2.997988453e+00 2.82 -2.466850092e+00 -2.963000731e+00 -3.003897190e+00 2.84 -2.421624333e+00 -2.943882397e+00 -3.003643342e+00 2.86 -2.375835994e+00 -2.919665375e+00 -2.998032232e+00 2.88 -2.329618884e+00 -2.890935615e+00 -2.987715066e+00 2.90 -2.283098415e+00 -2.858295076e+00 -2.973210247e+00 2.92 -2.236390966e+00 -2.822353384e+00 -2.954932028e+00 2.94 -2.189613789e+00 -2.783710937e+00 -2.933219456e+00 2.96 -2.142873973e+00 -2.742936228e+00 -2.908360647e+00 2.98 -2.096238187e+00 -2.700542429e+00 -2.880612775e+00 3.00 -2.049766535e+00 -2.656968909e+00 -2.850211679e+00 3.02 -2.003513271e+00 -2.612571799e+00 -2.817380787e+00 3.04 -1.957526924e+00 -2.567624612e+00 -2.782334040e+00 3.06 -1.911851065e+00 -2.522328379e+00 -2.745277041e+00 3.08 -1.866525541e+00 -2.476824717e+00 -2.706406978e+00 3.10 -1.821582485e+00 -2.431212508e+00 -2.665912038e+00 3.12 -1.777027197e+00 -2.385561756e+00 -2.623970782e+00 3.14 -1.732863486e+00 -2.339925804e+00 -2.580751745e+00 3.16 -1.689104210e+00 -2.294348014e+00 -2.536413429e+00 3.18 -1.645769932e+00 -2.248867883e+00 -2.491104823e+00 3.20 -1.602887204e+00 -2.203524406e+00 -2.444966507e+00 3.22 -1.560486522e+00 -2.158372860e+00 -2.398132714e+00 3.24 -1.518600177e+00 -2.113445774e+00 -2.350733581e+00 3.26 -1.477260230e+00 -2.068769013e+00 -2.302898467e+00 3.28 -1.436496792e+00 -2.024373481e+00 -2.254760009e+00 3.30 -1.396336748e+00 -1.980294393e+00 -2.206471036e+00 3.32 -1.356802943e+00 -1.936570273e+00 -2.158168066e+00 3.34 -1.317913827e+00 -1.893241717e+00 -2.109987650e+00 3.36 -1.279683479e+00 -1.850350063e+00 -2.062073829e+00 3.38 -1.242121918e+00 -1.807933971e+00 -2.014573063e+00 3.40 -1.205235601e+00 -1.766011363e+00 -1.967627525e+00 3.42 -1.169027704e+00 -1.724591041e+00 -1.921367780e+00 3.44 -1.133499762e+00 -1.683684850e+00 -1.875906149e+00 3.46 -1.098650202e+00 -1.643306678e+00 -1.831331368e+00 3.48 -1.064475776e+00 -1.603471368e+00 -1.787693740e+00 3.50 -1.030971102e+00 -1.564193794e+00 -1.745005966e+00 3.52 -9.981283564e-01 -1.525488021e+00 -1.703264116e+00 3.54 -9.659368590e-01 -1.487366562e+00 -1.662450066e+00 3.56 -9.343826731e-01 -1.449839712e+00 -1.622536711e+00 3.58 -9.034483625e-01 -1.412915002e+00 -1.583491421e+00 3.60 -8.731130056e-01 -1.376596755e+00 -1.545279185e+00 3.62 -8.433525273e-01 -1.340885783e+00 -1.507864828e+00 3.64 -8.141403617e-01 -1.305779206e+00 -1.471214300e+00 3.66 -7.854484386e-01 -1.271270426e+00 -1.435295155e+00 3.68 -7.572484859e-01 -1.237349244e+00 -1.400076496e+00 3.70 -7.295136488e-01 -1.204002139e+00 -1.365528663e+00 3.72 -7.022204162e-01 -1.171212700e+00 -1.331622945e+00 3.74 -6.753508097e-01 -1.138962200e+00 -1.298331517e+00 3.76 -6.488947084e-01 -1.107230280e+00 -1.265627695e+00 3.78 -6.228520922e-01 -1.075995710e+00 -1.233486469e+00 3.80 -5.972348849e-01 -1.045237176e+00 -1.201885223e+00 3.82 -5.720680215e-01 -1.014934019e+00 -1.170804477e+00 3.84 -5.473893660e-01 -9.850669076e-01 -1.140228508e+00 3.86 -5.232481995e-01 -9.556183853e-01 -1.110145741e+00 3.88 -4.997021809e-01 -9.265733209e-01 -1.080548843e+00 3.90 -4.768129445e-01 -8.979192838e-01 -1.051434516e+00 3.92 -4.546406959e-01 -8.696468304e-01 -1.022802909e+00 3.94 -4.332389756e-01 -8.417503350e-01 -9.946574365e-01 3.96 -4.126490710e-01 -8.142279755e-01 -9.670031996e-01 3.98 -3.928965809e-01 -7.870828975e-01 -9.398466963e-01 4.00 -3.739892390e-01 -7.603239397e-01 -9.131948558e-01 4.02 -3.559167710e-01 -7.339664553e-01 -8.870542987e-01 4.04 -3.386525628e-01 -7.080329377e-01 -8.614307063e-01 4.06 -3.221567682e-01 -6.825532389e-01 -8.363283174e-01 4.08 -3.063803486e-01 -6.575641779e-01 -8.117495524e-01 4.10 -2.912695125e-01 -6.331081340e-01 -7.876947547e-01 4.12 -2.767700843e-01 -6.092321913e-01 -7.641620336e-01 4.14 -2.628314284e-01 -5.859837531e-01 -7.411471888e-01 4.16 -2.494096657e-01 -5.634086250e-01 -7.186436971e-01 4.18 -2.364700060e-01 -5.415474112e-01 -6.966427435e-01 4.20 -2.239880918e-01 -5.204324890e-01 -6.751332816e-01 4.22 -2.119503135e-01 -5.000855996e-01 -6.541021129e-01 4.24 -2.003531075e-01 -4.805163202e-01 -6.335339773e-01 4.26 -1.892013423e-01 -4.617215352e-01 -6.134116499e-01 4.28 -1.785059625e-01 -4.436858661e-01 -5.937160440e-01 4.30 -1.682811547e-01 -4.263828959e-01 -5.744263214e-01 4.32 -1.585413561e-01 -4.097769417e-01 -5.555200130e-01 4.34 -1.492984437e-01 -3.938251132e-01 -5.369731566e-01 4.36 -1.405592836e-01 -3.784794210e-01 -5.187604572e-01 4.38 -1.323246457e-01 -3.636887579e-01 -5.008554803e-01 4.40 -1.245875567e-01 -3.494006438e-01 -4.832308873e-01 4.42 -1.173338804e-01 -3.355626920e-01 -4.658587272e-01 4.44 -1.105428252e-01 -3.221238029e-01 -4.487108004e-01 4.46 -1.041881052e-01 -3.090351284e-01 -4.317591137e-01 4.48 -9.823940031e-02 -2.962508650e-01 -4.149764496e-01 4.50 -9.266388186e-02 -2.837289414e-01 -3.983370706e-01 4.52 -8.742759740e-02 -2.714316578e-01 -3.818172759e-01 4.54 -8.249743049e-02 -2.593263203e-01 -3.653976879e-01 4.56 -7.784048642e-02 -2.473858976e-01 -3.490624362e-01 4.58 -7.342712039e-02 -2.355896997e-01 -3.328018554e-01 4.60 -6.923188607e-02 -2.239240561e-01 -3.166134689e-01 4.62 -6.523233736e-02 -2.123829452e-01 -3.005033039e-01 4.64 -6.140955301e-02 -2.009685012e-01 -2.844870414e-01 4.66 -5.774838295e-02 -1.896913078e-01 -2.685908468e-01 4.68 -5.423746308e-02 -1.785703813e-01 -2.528517227e-01 4.70 -5.086903259e-02 -1.676327514e-01 -2.373172366e-01 4.72 -4.763858715e-02 -1.569125717e-01 -2.220445125e-01 4.74 -4.454439717e-02 -1.464497353e-01 -2.070984424e-01 4.76 -4.158691461e-02 -1.362880273e-01 -1.925491589e-01 4.78 -3.876810662e-02 -1.264729095e-01 -1.784689088e-01 4.80 -3.609075926e-02 -1.170488945e-01 -1.649285574e-01 4.82 -3.355780042e-02 -1.080579304e-01 -1.519940209e-01 4.84 -3.117169432e-02 -9.953585693e-02 -1.397229518e-01 4.86 -2.893393399e-02 -9.151146567e-02 -1.281619801e-01 4.88 -2.684467687e-02 -8.400495484e-02 -1.173447432e-01 4.90 -2.490253354e-02 -7.702725065e-02 -1.072908401e-01 4.92 -2.310450611e-02 -7.057996236e-02 -9.800572865e-02 4.94 -2.144605892e-02 -6.465591342e-02 -8.948147986e-02 4.96 -1.992129360e-02 -5.924010076e-02 -8.169822231e-02 4.98 -1.852319508e-02 -5.431099153e-02 -7.462606345e-02 5.00 -1.724385704e-02 -4.984198678e-02 -6.822727143e-02 5.02 -1.607483831e-02 -4.580290008e-02 -6.245848658e-02 5.04 -1.500752858e-02 -4.216075167e-02 -5.727282702e-02 5.06 -1.403327781e-02 -3.888196042e-02 -5.262178563e-02 5.08 -1.314360002e-02 -3.593398946e-02 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-1.225759122e-02 -1.656214079e-02 5.46 -4.434253933e-03 -1.168583116e-02 -1.586365015e-02 5.48 -4.163368660e-03 -1.114733693e-02 -1.520828704e-02 5.50 -3.899640928e-03 -1.063961276e-02 -1.459166798e-02 5.52 -3.642777518e-03 -1.016049421e-02 -1.400996957e-02 5.54 -3.392690483e-03 -9.708073460e-03 -1.345974439e-02 5.56 -3.149484699e-03 -9.280636137e-03 -1.293829084e-02 5.58 -2.913439461e-03 -8.876610129e-03 -1.244291020e-02 5.60 -2.684983141e-03 -8.494526443e-03 -1.197133265e-02 5.62 -2.464660716e-03 -8.132991341e-03 -1.152154882e-02 5.64 -2.253094870e-03 -7.790668413e-03 -1.109177253e-02 5.66 -2.050942378e-03 -7.466268795e-03 -1.068040867e-02 5.68 -1.858848337e-03 -7.158547495e-03 -1.028602583e-02 5.70 -1.677401430e-03 -6.866303831e-03 -9.907332696e-03 5.72 -1.507093579e-03 -6.588384210e-03 -9.543157915e-03 5.74 -1.348287056e-03 -6.323685776e-03 -9.192432892e-03 5.76 -1.201191395e-03 -6.071159912e-03 -8.854177108e-03 5.78 -1.065851349e-03 -5.829814923e-03 -8.527485671e-03 5.80 -9.421459867e-04 -5.598717581e-03 -8.211518821e-03 5.82 -8.297978767e-04 -5.376993482e-03 -7.905493184e-03 5.84 -7.283904646e-04 -5.163826325e-03 -7.608674593e-03 5.86 -6.373912095e-04 -4.958456369e-03 -7.320372361e-03 5.88 -5.561779240e-04 -4.760178333e-03 -7.039934912e-03 5.90 -4.840659272e-04 -4.568339054e-03 -6.766746700e-03 5.92 -4.203340307e-04 -4.382335183e-03 -6.500226385e-03 5.94 -3.642479082e-04 -4.201611161e-03 -6.239826246e-03 5.96 -3.150799463e-04 -4.025657688e-03 -5.985032813e-03 5.98 -2.721251670e-04 -3.854010840e-03 -5.735368719e-03 6.00 -2.347132161e-04 -3.686251940e-03 -5.490395727e-03