# 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 = Mg3Pb # 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 4.233001628e+02 nan nan 1.16 3.903056550e+02 nan nan 1.18 3.599971171e+02 nan nan 1.20 3.321366798e+02 nan nan 1.22 3.065096175e+02 nan nan 1.24 2.829219641e+02 nan nan 1.26 2.611988145e+02 nan nan 1.28 2.411823456e+02 3.681692763e+02 4.205301217e+02 1.30 2.227295187e+02 3.418362973e+02 3.910777282e+02 1.32 2.057101457e+02 3.174551032e+02 3.637777985e+02 1.34 1.900055859e+02 2.948687095e+02 3.384596190e+02 1.36 1.755077390e+02 2.739344160e+02 3.149673269e+02 1.38 1.621180444e+02 2.545222323e+02 2.931584301e+02 1.40 1.497465968e+02 2.365135232e+02 2.729025598e+02 1.42 1.383113755e+02 2.197999042e+02 2.540803816e+02 1.44 1.277375726e+02 2.042821541e+02 2.365826552e+02 1.46 1.179571819e+02 1.898691242e+02 2.203093993e+02 1.48 1.089147061e+02 1.764769076e+02 2.051689654e+02 1.50 1.005546347e+02 1.640283751e+02 1.910771904e+02 1.52 9.282369243e+01 1.524528874e+02 1.779567523e+02 1.54 8.567320199e+01 1.416858536e+02 1.657366429e+02 1.56 7.905850706e+01 1.316680783e+02 1.543516183e+02 1.58 7.293852481e+01 1.223450858e+02 1.437415910e+02 1.60 6.727542298e+01 1.136682859e+02 1.338511120e+02 1.62 6.203437309e+01 1.055971407e+02 1.246289869e+02 1.64 5.718333884e+01 9.808815335e+01 1.160283349e+02 1.66 5.269284493e+01 9.110103026e+01 1.080111951e+02 1.68 4.853572809e+01 8.459864593e+01 1.005378563e+02 1.70 4.468692169e+01 7.854672496e+01 9.357002799e+01 1.72 4.112329663e+01 7.291349369e+01 8.707230487e+01 1.74 3.782355008e+01 6.766939567e+01 8.101197456e+01 1.76 3.476808098e+01 6.278689832e+01 7.535886198e+01 1.78 3.193884088e+01 5.824039045e+01 7.008510144e+01 1.80 2.931916664e+01 5.400611915e+01 6.516488251e+01 1.82 2.689362822e+01 5.006214254e+01 6.057420003e+01 1.84 2.464792325e+01 4.638823124e+01 5.629068716e+01 1.86 2.256881154e+01 4.296574332e+01 5.229349936e+01 1.88 2.064406851e+01 3.977747169e+01 4.856325934e+01 1.90 1.886242730e+01 3.680748476e+01 4.508199915e+01 1.92 1.721349901e+01 3.404097946e+01 4.183306257e+01 1.94 1.568769025e+01 3.146416580e+01 3.880099493e+01 1.96 1.427611397e+01 2.906417009e+01 3.597140621e+01 1.98 1.297051916e+01 2.682897256e+01 3.333085419e+01 2.00 1.176323502e+01 2.474735644e+01 3.086675274e+01 2.02 1.064712540e+01 2.280885965e+01 2.856731489e+01 2.04 9.615555842e+00 2.100373001e+01 2.642152764e+01 2.06 8.662369498e+00 1.932288751e+01 2.441913389e+01 2.08 7.781864014e+00 1.775789007e+01 2.255061791e+01 2.10 6.968770659e+00 1.630090247e+01 2.080716070e+01 2.12 6.218226668e+00 1.494466109e+01 1.918058737e+01 2.14 5.525740773e+00 1.368243048e+01 1.766330735e+01 2.16 4.887152547e+00 1.250795973e+01 1.624825630e+01 2.18 4.298593267e+00 1.141543475e+01 1.492884390e+01 2.20 3.756451090e+00 1.039943328e+01 1.369889628e+01 2.22 3.257339293e+00 9.454883448e+00 1.255262625e+01 2.24 2.798076207e+00 8.577034076e+00 1.148458831e+01 2.26 2.375676116e+00 7.761436538e+00 1.048965546e+01 2.28 1.987348643e+00 7.003927520e+00 9.562999382e+00 2.30 1.630505046e+00 6.300623374e+00 8.700080675e+00 2.32 1.302761915e+00 5.647890579e+00 7.896640238e+00 2.34 1.001939667e+00 5.042334191e+00 7.148695208e+00 2.36 7.260513517e-01 4.480769043e+00 6.452534563e+00 2.38 4.732890809e-01 3.960204436e+00 5.804707207e+00 2.40 2.420002698e-01 3.477832881e+00 5.202015171e+00 2.42 3.066635004e-02 3.031022316e+00 4.641494708e+00 2.44 -1.621161871e-01 2.617313123e+00 4.120401087e+00 2.46 -3.376511821e-01 2.234413139e+00 3.636190519e+00 2.48 -4.971546106e-01 1.880193237e+00 3.186500499e+00 2.50 -6.417636858e-01 1.552680889e+00 2.769127102e+00 2.52 -7.725442490e-01 1.250051671e+00 2.382008423e+00 2.54 -8.904967800e-01 9.706190633e-01 2.023206591e+00 2.56 -9.965640853e-01 7.128232712e-01 1.690896858e+00 2.58 -1.091633479e+00 4.752196152e-01 1.383360058e+00 2.60 -1.176544935e+00 2.564667500e-01 1.098977801e+00 2.62 -1.252092271e+00 5.531604394e-02 8.362299386e-01 2.64 -1.319027653e+00 -1.294031984e-01 5.936863178e-01 2.66 -1.378060955e+00 -2.987863331e-01 3.700092068e-01 2.68 -1.429859536e+00 -4.538653693e-01 1.639420707e-01 2.70 -1.475045874e+00 -5.956128963e-01 -2.569542715e-02 2.72 -1.514195305e+00 -7.249456027e-01 -2.000134378e-01 2.74 -1.547839276e+00 -8.427264523e-01 -3.600567762e-01 2.76 -1.576496658e+00 -9.497659821e-01 -5.068084064e-01 2.78 -1.600569313e+00 -1.046822666e+00 -6.411917020e-01 2.80 -1.620410844e+00 -1.134606539e+00 -7.640727697e-01 2.82 -1.636349014e+00 -1.213776869e+00 -8.762609608e-01 2.84 -1.648689478e+00 -1.284947436e+00 -9.785107671e-01 2.86 -1.657716525e+00 -1.348688684e+00 -1.071522815e+00 2.88 -1.663695541e+00 -1.405530995e+00 -1.155945328e+00 2.90 -1.666869392e+00 -1.455967998e+00 -1.232376371e+00 2.92 -1.667456565e+00 -1.500459746e+00 -1.301367209e+00 2.94 -1.665713670e+00 -1.539435655e+00 -1.363426728e+00 2.96 -1.661795575e+00 -1.573297159e+00 -1.419024647e+00 2.98 -1.655831851e+00 -1.602420424e+00 -1.468604156e+00 3.00 -1.647956714e+00 -1.627189785e+00 -1.512574186e+00 3.02 -1.638307454e+00 -1.647926662e+00 -1.551321926e+00 3.04 -1.627022826e+00 -1.664905910e+00 -1.585213254e+00 3.06 -1.614241333e+00 -1.678395504e+00 -1.614594710e+00 3.08 -1.600099000e+00 -1.688650694e+00 -1.639809039e+00 3.10 -1.584696022e+00 -1.695918299e+00 -1.661188644e+00 3.12 -1.568061795e+00 -1.700434930e+00 -1.678993211e+00 3.14 -1.550231107e+00 -1.702430764e+00 -1.693470920e+00 3.16 -1.531250974e+00 -1.702123138e+00 -1.704860271e+00 3.18 -1.511177058e+00 -1.699726556e+00 -1.713388490e+00 3.20 -1.490070892e+00 -1.695438672e+00 -1.719269872e+00 3.22 -1.467997912e+00 -1.689433494e+00 -1.722706182e+00 3.24 -1.445026278e+00 -1.681836666e+00 -1.723883911e+00 3.26 -1.421226448e+00 -1.672773420e+00 -1.722970733e+00 3.28 -1.396671408e+00 -1.662366892e+00 -1.720143202e+00 3.30 -1.371437322e+00 -1.650736523e+00 -1.715561779e+00 3.32 -1.345604313e+00 -1.637996569e+00 -1.709314898e+00 3.34 -1.319256793e+00 -1.624249556e+00 -1.701492004e+00 3.36 -1.292484257e+00 -1.609568943e+00 -1.692184132e+00 3.38 -1.265379044e+00 -1.594001601e+00 -1.681483613e+00 3.40 -1.238035572e+00 -1.577558808e+00 -1.669483889e+00 3.42 -1.210546612e+00 -1.560256999e+00 -1.656279388e+00 3.44 -1.183005448e+00 -1.542118944e+00 -1.641965410e+00 3.46 -1.155496106e+00 -1.523173802e+00 -1.626624618e+00 3.48 -1.128096929e+00 -1.503455808e+00 -1.610283917e+00 3.50 -1.100877889e+00 -1.483003553e+00 -1.592965509e+00 3.52 -1.073901201e+00 -1.461859338e+00 -1.574710400e+00 3.54 -1.047219549e+00 -1.440068590e+00 -1.555567915e+00 3.56 -1.020877409e+00 -1.417679341e+00 -1.535598839e+00 3.58 -9.949109721e-01 -1.394741780e+00 -1.514871631e+00 3.60 -9.693485311e-01 -1.371307932e+00 -1.493460216e+00 3.62 -9.442110698e-01 -1.347431425e+00 -1.471441861e+00 3.64 -9.195130648e-01 -1.323167348e+00 -1.448895113e+00 3.66 -8.952634622e-01 -1.298572137e+00 -1.425897770e+00 3.68 -8.714667448e-01 -1.273703423e+00 -1.402524935e+00 3.70 -8.481239884e-01 -1.248619771e+00 -1.378847256e+00 3.72 -8.252338190e-01 -1.223380265e+00 -1.354929539e+00 3.74 -8.027932211e-01 -1.198043927e+00 -1.330829902e+00 3.76 -7.807981770e-01 -1.172668984e+00 -1.306599534e+00 3.78 -7.592441468e-01 -1.147312069e+00 -1.282283053e+00 3.80 -7.381264158e-01 -1.122027417e+00 -1.257919277e+00 3.82 -7.174403366e-01 -1.096866151e+00 -1.233542240e+00 3.84 -6.971814938e-01 -1.071875681e+00 -1.209182226e+00 3.86 -6.773458107e-01 -1.047099229e+00 -1.184866694e+00 3.88 -6.579296096e-01 -1.022575457e+00 -1.160620998e+00 3.90 -6.389296322e-01 -9.983381827e-01 -1.136468890e+00 3.92 -6.203424381e-01 -9.744155883e-01 -1.112431895e+00 3.94 -6.021668112e-01 -9.508327245e-01 -1.088533375e+00 3.96 -5.843997990e-01 -9.276075926e-01 -1.064792400e+00 3.98 -5.670393431e-01 -9.047543021e-01 -1.041228069e+00 4.00 -5.500834286e-01 -8.822828138e-01 -1.017858307e+00 4.02 -5.335299557e-01 -8.601995732e-01 -9.946998091e-01 4.04 -5.173766145e-01 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-6.894820226e-02 5.82 -8.634584399e-03 -4.504283563e-02 -6.630131686e-02 5.84 -8.044903144e-03 -4.319781676e-02 -6.369759384e-02 5.86 -7.504344110e-03 -4.139390841e-02 -6.113473164e-02 5.88 -7.008534116e-03 -3.962810118e-02 -5.861079725e-02 5.90 -6.553270308e-03 -3.789784333e-02 -5.612426148e-02 5.92 -6.134560232e-03 -3.620105451e-02 -5.367403687e-02 5.94 -5.748652018e-03 -3.453613363e-02 -5.125951179e-02 5.96 -5.392055198e-03 -3.290196012e-02 -4.888056369e-02 5.98 -5.061553102e-03 -3.129788784e-02 -4.653751312e-02 6.00 -4.754208105e-03 -2.972373057e-02 -4.423126895e-02