# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Kim-Y-M-Jung-I-H-Lee-B-J--Mg-Li # implementation = 2012--Kim-Y-M--Mg-Li--LAMMPS--ipr1 # composition = Li3Mg # 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 nan nan nan 0.88 nan nan nan 0.90 1.507635397e+01 nan nan 0.92 1.460228059e+01 nan nan 0.94 1.413045667e+01 nan nan 0.96 1.366176430e+01 nan nan 0.98 1.319700155e+01 1.504484530e+01 nan 1.00 1.273688812e+01 1.462492134e+01 nan 1.02 1.228207073e+01 1.420448018e+01 1.484318275e+01 1.04 1.183312812e+01 1.378443643e+01 1.438790749e+01 1.06 1.139057579e+01 1.336562738e+01 1.393772936e+01 1.08 1.095487045e+01 1.294881787e+01 1.349305720e+01 1.10 1.052641418e+01 1.253470486e+01 1.305425807e+01 1.12 1.010555841e+01 1.212392181e+01 1.262166005e+01 1.14 9.692607555e+00 1.171704275e+01 1.219555483e+01 1.16 9.287822514e+00 1.131458616e+01 1.177620015e+01 1.18 8.891423910e+00 1.091701861e+01 1.136382209e+01 1.20 8.503595143e+00 1.052475821e+01 1.095861723e+01 1.22 8.124485252e+00 1.013817788e+01 1.056075468e+01 1.24 7.754211593e+00 9.757608365e+00 1.017037796e+01 1.26 7.392862359e+00 9.383341159e+00 9.787606809e+00 1.28 7.040498929e+00 9.015631214e+00 9.412538867e+00 1.30 6.697158072e+00 8.654699498e+00 9.045251239e+00 1.32 6.362854013e+00 8.300735412e+00 8.685801995e+00 1.34 6.037580359e+00 7.953899054e+00 8.334231563e+00 1.36 5.721311901e+00 7.614323361e+00 7.990564040e+00 1.38 5.414006303e+00 7.282116111e+00 7.654808433e+00 1.40 5.115605672e+00 6.957361817e+00 7.326959814e+00 1.42 4.826038028e+00 6.640123497e+00 7.007000415e+00 1.44 4.545218673e+00 6.330444345e+00 6.694900655e+00 1.46 4.273051468e+00 6.028349294e+00 6.390620097e+00 1.48 4.009430023e+00 5.733846485e+00 6.094108360e+00 1.50 3.754238802e+00 5.446928647e+00 5.805305967e+00 1.52 3.507354154e+00 5.167574386e+00 5.524145143e+00 1.54 3.268645270e+00 4.895749402e+00 5.250550561e+00 1.56 3.037975073e+00 4.631407617e+00 4.984440052e+00 1.58 2.815201038e+00 4.374492243e+00 4.725725258e+00 1.60 2.600175964e+00 4.124936771e+00 4.474312250e+00 1.62 2.392748673e+00 3.882665905e+00 4.230102112e+00 1.64 2.192764671e+00 3.647596429e+00 3.992991476e+00 1.66 2.000066751e+00 3.419638015e+00 3.762873036e+00 1.68 1.814495549e+00 3.198693986e+00 3.539636017e+00 1.70 1.635890062e+00 2.984662019e+00 3.323166621e+00 1.72 1.464088118e+00 2.777434804e+00 3.113348442e+00 1.74 1.298926814e+00 2.576900654e+00 2.910062849e+00 1.76 1.140242913e+00 2.382944082e+00 2.713189350e+00 1.78 9.878732084e-01 2.195446323e+00 2.522605926e+00 1.80 8.416548605e-01 2.014285832e+00 2.338189344e+00 1.82 7.014256985e-01 1.839338740e+00 2.159815445e+00 1.84 5.670244983e-01 1.670479273e+00 1.987359417e+00 1.86 4.382912334e-01 1.507580150e+00 1.820696045e+00 1.88 3.150673018e-01 1.350512939e+00 1.659699939e+00 1.90 1.971957312e-01 1.199148398e+00 1.504245754e+00 1.92 8.452136240e-02 1.053356777e+00 1.354208382e+00 1.94 -2.310898574e-02 9.130081045e-01 1.209463138e+00 1.96 -1.258463705e-01 7.779724504e-01 1.069885930e+00 1.98 -2.238395953e-01 6.481201614e-01 9.353534053e-01 2.00 -3.172350962e-01 5.233220824e-01 8.057431017e-01 2.02 -4.061768421e-01 4.034497558e-01 6.809335696e-01 2.04 -4.908062490e-01 2.883756037e-01 5.608044930e-01 2.06 -5.712621070e-01 1.779730942e-01 4.452367955e-01 2.08 -6.476805175e-01 7.211689068e-02 3.341127377e-01 2.10 -7.201948432e-01 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-1.492977187e+00 -1.229915154e+00 -1.077595490e+00 2.48 -1.512910661e+00 -1.268501555e+00 -1.121987614e+00 2.50 -1.531039489e+00 -1.304751998e+00 -1.164007446e+00 2.52 -1.547389321e+00 -1.338748793e+00 -1.203732856e+00 2.54 -1.562064144e+00 -1.370572156e+00 -1.241239849e+00 2.56 -1.575135372e+00 -1.400300231e+00 -1.276602583e+00 2.58 -1.586672142e+00 -1.428010834e+00 -1.309893385e+00 2.60 -1.596741360e+00 -1.453793017e+00 -1.341182781e+00 2.62 -1.605407750e+00 -1.477695706e+00 -1.370539507e+00 2.64 -1.612810893e+00 -1.499782974e+00 -1.398030542e+00 2.66 -1.619719994e+00 -1.520135423e+00 -1.423721126e+00 2.68 -1.625244554e+00 -1.538819287e+00 -1.447674788e+00 2.70 -1.628883717e+00 -1.555898915e+00 -1.469953372e+00 2.72 -1.631413146e+00 -1.571436807e+00 -1.490617061e+00 2.74 -1.633029355e+00 -1.585493646e+00 -1.509724410e+00 2.76 -1.634976028e+00 -1.598128326e+00 -1.527332367e+00 2.78 -1.635828454e+00 -1.609397993e+00 -1.543496305e+00 2.80 -1.634435673e+00 -1.619358075e+00 -1.558270051e+00 2.82 -1.632177553e+00 -1.628062320e+00 -1.571705914e+00 2.84 -1.629098016e+00 -1.635562827e+00 -1.583855836e+00 2.86 -1.625239383e+00 -1.641910081e+00 -1.594833389e+00 2.88 -1.620642428e+00 -1.647152993e+00 -1.604842920e+00 2.90 -1.615346414e+00 -1.651338931e+00 -1.613481021e+00 2.92 -1.609389141e+00 -1.654513755e+00 -1.620956553e+00 2.94 -1.602806989e+00 -1.656721855e+00 -1.627377870e+00 2.96 -1.595634955e+00 -1.658006180e+00 -1.632787466e+00 2.98 -1.587906700e+00 -1.658408280e+00 -1.637226552e+00 3.00 -1.579654587e+00 -1.657968335e+00 -1.640735084e+00 3.02 -1.570909718e+00 -1.656777800e+00 -1.643351790e+00 3.04 -1.561701977e+00 -1.655530667e+00 -1.645114200e+00 3.06 -1.552060067e+00 -1.654511582e+00 -1.646058673e+00 3.08 -1.542011545e+00 -1.651084296e+00 -1.646220428e+00 3.10 -1.531582861e+00 -1.646962592e+00 -1.645633567e+00 3.12 -1.520799390e+00 -1.642213659e+00 -1.644331106e+00 3.14 -1.509685472e+00 -1.636868998e+00 -1.642344999e+00 3.16 -1.498264441e+00 -1.630959006e+00 -1.639706167e+00 3.18 -1.486558662e+00 -1.624513007e+00 -1.636444524e+00 3.20 -1.474589559e+00 -1.617559276e+00 -1.632589001e+00 3.22 -1.462377651e+00 -1.610125077e+00 -1.628167573e+00 3.24 -1.449942578e+00 -1.602236683e+00 -1.623207283e+00 3.26 -1.437303136e+00 -1.593919413e+00 -1.617734269e+00 3.28 -1.424477302e+00 -1.585197652e+00 -1.611773785e+00 3.30 -1.411482264e+00 -1.576094883e+00 -1.605350227e+00 3.32 -1.398334449e+00 -1.566633715e+00 -1.598487155e+00 3.34 -1.385049547e+00 -1.556835902e+00 -1.591207317e+00 3.36 -1.371642540e+00 -1.546722377e+00 -1.583532671e+00 3.38 -1.358127729e+00 -1.536313273e+00 -1.575484406e+00 3.40 -1.344518751e+00 -1.525627945e+00 -1.567082967e+00 3.42 -1.330828612e+00 -1.514685001e+00 -1.558348072e+00 3.44 -1.317069704e+00 -1.503502316e+00 -1.549298734e+00 3.46 -1.303253830e+00 -1.492097065e+00 -1.539953285e+00 3.48 -1.289392224e+00 -1.480485737e+00 -1.530360595e+00 3.50 -1.275495575e+00 -1.468684161e+00 -1.521304737e+00 3.52 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-1.008316348e+00 -1.097539444e+00 4.24 -6.583252980e-01 -9.961768421e-01 -1.085497297e+00 4.26 -6.490954524e-01 -9.840015047e-01 -1.073514468e+00 4.28 -6.399760119e-01 -9.691986830e-01 -1.061593868e+00 4.30 -6.309668907e-01 -9.417852389e-01 -1.049738242e+00 4.32 -6.220679340e-01 -8.848084288e-01 -1.037950175e+00 4.34 -6.132789221e-01 -8.567053990e-01 -1.026232099e+00 4.36 -6.045995741e-01 -8.468813200e-01 -1.014586300e+00 4.38 -5.960295510e-01 -8.371314553e-01 -1.003014919e+00 4.40 -5.870926214e-01 -8.274568689e-01 -9.915199623e-01 4.42 -5.690710680e-01 -8.178585398e-01 -9.801033041e-01 4.44 -5.141853824e-01 -8.083373647e-01 -9.687666926e-01 4.46 -3.844461422e-01 -7.988941615e-01 -9.575117548e-01 4.48 -3.088705970e-01 -7.895296728e-01 -9.463400008e-01 4.50 -3.052069404e-01 -7.802445685e-01 -9.352528291e-01 4.52 -3.015889529e-01 -7.710394492e-01 -9.242515306e-01 4.54 -2.980162405e-01 -7.619148487e-01 -9.133372929e-01 4.56 -2.944883900e-01 -7.528712371e-01 -9.025112049e-01 4.58 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