# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2006--Murdick-D-A-Zhou-X-W-Wadley-H-N-G-et-al--Ga-As # implementation = 2006--Murdick-D-A--Ga-As--LAMMPS--ipr1 # composition = As3Ga # 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 2.00 5.049464411e+00 1.297300889e+01 1.675125685e+01 2.02 4.358248686e+00 1.183134345e+01 1.544853038e+01 2.04 3.716459567e+00 1.075690291e+01 1.422204085e+01 2.06 3.121527065e+00 9.746672120e+00 1.306765084e+01 2.08 2.570051323e+00 8.797741143e+00 1.198130863e+01 2.10 2.059756984e+00 7.907288364e+00 1.095976880e+01 2.12 1.588748916e+00 7.072571524e+00 9.996820831e+00 2.14 1.155149579e+00 6.290916027e+00 9.091166157e+00 2.16 7.559268757e-01 5.559710992e+00 8.237475391e+00 2.18 3.886973137e-01 4.876406170e+00 7.432601321e+00 2.20 5.175073094e-02 4.238513657e+00 6.674466610e+00 2.22 -2.565581935e-01 3.643608951e+00 5.961052568e+00 2.24 -5.378132625e-01 3.089328747e+00 5.290402239e+00 2.26 -7.935374556e-01 2.573433077e+00 4.660621090e+00 2.28 -1.025194325e+00 2.093540760e+00 4.069877853e+00 2.30 -1.234190037e+00 1.646343572e+00 3.516403265e+00 2.32 -1.421874207e+00 1.230188037e+00 2.998489514e+00 2.34 -1.589540649e+00 8.435908823e-01 2.514490782e+00 2.36 -1.738430472e+00 4.851208509e-01 2.062819240e+00 2.38 -1.869732223e+00 1.533973053e-01 1.641943375e+00 2.40 -1.984583329e+00 -1.529103661e-01 1.250387430e+00 2.42 -2.084070496e+00 -4.350852125e-01 8.867273451e-01 2.44 -2.169233138e+00 -6.943628741e-01 5.495898581e-01 2.46 -2.240695046e+00 -9.319335492e-01 2.376518784e-01 2.48 -2.297486712e+00 -1.148943299e+00 -5.036321834e-02 2.50 -2.340416262e+00 -1.346494330e+00 -3.156843671e-01 2.52 -2.370584010e+00 -1.525647142e+00 -5.594974521e-01 2.54 -2.389075276e+00 -1.687421600e+00 -7.829470872e-01 2.56 -2.396960041e+00 -1.832795990e+00 -9.871386384e-01 2.58 -2.395292318e+00 -1.962711928e+00 -1.173146216e+00 2.60 -2.385108233e+00 -2.078070172e+00 -1.341913247e+00 2.62 -2.367422871e+00 -2.179526398e+00 -1.494193577e+00 2.64 -2.343226926e+00 -2.267782621e+00 -1.631394493e+00 2.66 -2.313479700e+00 -2.343675613e+00 -1.754616527e+00 2.68 -2.279100669e+00 -2.408026086e+00 -1.864629253e+00 2.70 -2.239707106e+00 -2.461634314e+00 -1.962174126e+00 2.72 -2.193918290e+00 -2.505275151e+00 -2.047964951e+00 2.74 -2.142598675e+00 -2.539693577e+00 -2.122689205e+00 2.76 -2.086587734e+00 -2.565598898e+00 -2.187007274e+00 2.78 -2.026633575e+00 -2.583660707e+00 -2.241554285e+00 2.80 -1.963378969e+00 -2.594504136e+00 -2.286940123e+00 2.82 -1.897356844e+00 -2.598706624e+00 -2.323749923e+00 2.84 -1.828998920e+00 -2.596796035e+00 -2.352544875e+00 2.86 -1.758659105e+00 -2.589249849e+00 -2.373862576e+00 2.88 -1.686650433e+00 -2.576497438e+00 -2.388218072e+00 2.90 -1.613288506e+00 -2.558923747e+00 -2.396103839e+00 2.92 -1.538934423e+00 -2.536876084e+00 -2.397990565e+00 2.94 -1.464029305e+00 -2.510672823e+00 -2.394327800e+00 2.96 -1.389118358e+00 -2.480613659e+00 -2.385544367e+00 2.98 -1.314864951e+00 -2.446990574e+00 -2.372049151e+00 3.00 -1.241919002e+00 -2.410098254e+00 -2.354231704e+00 3.02 -1.169909082e+00 -2.367404582e+00 -2.329466489e+00 3.04 -1.098570087e+00 -2.316599149e+00 -2.295299712e+00 3.06 -1.028592418e+00 -2.258332840e+00 -2.252360330e+00 3.08 -9.606402384e-01 -2.193279411e+00 -2.201277804e+00 3.10 -8.953271538e-01 -2.122127310e+00 -2.142681831e+00 3.12 -8.331840918e-01 -2.045570374e+00 -2.077202160e+00 3.14 -7.746204927e-01 -1.964297639e+00 -2.005468906e+00 3.16 -7.198819401e-01 -1.878979989e+00 -1.928112037e+00 3.18 -6.690106743e-01 -1.790145531e+00 -1.845761889e+00 3.20 -6.218171111e-01 -1.698213761e+00 -1.759048795e+00 3.22 -5.778735734e-01 -1.603812566e+00 -1.668603107e+00 3.24 -5.365396485e-01 -1.507634029e+00 -1.575055228e+00 3.26 -4.970269067e-01 -1.410207333e+00 -1.479035555e+00 3.28 -4.585084075e-01 -1.312055903e+00 -1.381174370e+00 3.30 -4.202793355e-01 -1.213702874e+00 -1.282101819e+00 3.32 -3.820746315e-01 -1.115670734e+00 -1.182447675e+00 3.34 -3.443782853e-01 -1.018481483e+00 -1.082841338e+00 3.36 -3.074458333e-01 -9.226562984e-01 -9.839116733e-01 3.38 -2.714745275e-01 -8.287153621e-01 -8.862866009e-01 3.40 -2.366657957e-01 -7.371775225e-01 -7.905928121e-01 3.42 -2.032301275e-01 -6.485598654e-01 -6.974551623e-01 3.44 -1.713953760e-01 -5.633772218e-01 -6.074956419e-01 3.46 -1.414188876e-01 -4.821418555e-01 -5.213325591e-01 3.48 -1.136008525e-01 -4.053635185e-01 -4.395801698e-01 3.50 -8.828849528e-02 -3.335516941e-01 -3.628499909e-01 3.52 -6.585114066e-02 -2.672240198e-01 -2.917557647e-01 3.54 -4.661046144e-02 -2.069303304e-01 -2.269305179e-01 3.56 -3.074677202e-02 -1.533036230e-01 -1.690722541e-01 3.58 -1.824480636e-02 -1.071125306e-01 -1.190213500e-01 3.60 -8.929027967e-03 -6.920620632e-02 -7.777169958e-02 3.62 -2.690021063e-03 -4.039269221e-02 -4.625269504e-02 3.64 4.727697930e-05 -2.071448197e-02 -2.425033938e-02 3.66 0.000000000e+00 -7.925627536e-03 -9.823888151e-03 3.68 0.000000000e+00 1.198623594e-04 1.808568245e-04 3.70 0.000000000e+00 2.119037778e-17 2.315791995e-17 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 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