# 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 = AuPb3 # 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 5.183510775e+02 nan nan 1.16 4.817199000e+02 nan nan 1.18 4.478630000e+02 nan nan 1.20 4.165433244e+02 nan nan 1.22 3.875457890e+02 nan nan 1.24 3.606757834e+02 nan nan 1.26 3.357572539e+02 nan nan 1.28 3.126306567e+02 4.579081930e+02 5.161310510e+02 1.30 2.911510514e+02 4.283636115e+02 4.834448093e+02 1.32 2.711865338e+02 4.008428408e+02 4.529729509e+02 1.34 2.526172391e+02 3.751874376e+02 4.245438546e+02 1.36 2.353345133e+02 3.512526658e+02 3.980016362e+02 1.38 2.192399118e+02 3.289071501e+02 3.732050668e+02 1.40 2.042438257e+02 3.080321567e+02 3.500263172e+02 1.42 1.902641122e+02 2.885201207e+02 3.283490616e+02 1.44 1.772250825e+02 2.702730996e+02 3.080664046e+02 1.46 1.650572055e+02 2.532016110e+02 2.890792609e+02 1.48 1.536970124e+02 2.372235795e+02 2.712955868e+02 1.50 1.430866470e+02 2.222631530e+02 2.546300044e+02 1.52 1.331730918e+02 2.082495579e+02 2.390034891e+02 1.54 1.239073055e+02 1.951164517e+02 2.243431385e+02 1.56 1.152436805e+02 1.828018512e+02 2.105819488e+02 1.58 1.071397354e+02 1.712483215e+02 1.976585869e+02 1.60 9.956115387e+01 1.604030850e+02 1.855169134e+02 1.62 9.248636411e+01 1.502178951e+02 1.741052430e+02 1.64 8.589776399e+01 1.406486615e+02 1.633757322e+02 1.66 7.976139422e+01 1.316549448e+02 1.532840522e+02 1.68 7.404492692e+01 1.231994518e+02 1.437891958e+02 1.70 6.871859627e+01 1.152475579e+02 1.348532283e+02 1.72 6.375483281e+01 1.077670051e+02 1.264408312e+02 1.74 5.912803676e+01 1.007303183e+02 1.185188646e+02 1.76 5.481452027e+01 9.412101002e+01 1.110560712e+02 1.78 5.079248545e+01 8.792856431e+01 1.040230711e+02 1.80 4.704193467e+01 8.213002991e+01 9.739913588e+01 1.82 4.354451027e+01 7.669963855e+01 9.117202450e+01 1.84 4.028328283e+01 7.161308272e+01 8.532805900e+01 1.86 3.724253957e+01 6.684745423e+01 7.984271604e+01 1.88 3.440760029e+01 6.238133255e+01 7.469339290e+01 1.90 3.176469083e+01 5.819485282e+01 6.985921478e+01 1.92 2.930087806e+01 5.426969593e+01 6.532077731e+01 1.94 2.700404536e+01 5.058898777e+01 6.105988346e+01 1.96 2.486289082e+01 4.713717518e+01 5.705939169e+01 1.98 2.286690403e+01 4.389987582e+01 5.330313272e+01 2.00 2.100631603e+01 4.086373538e+01 4.977588588e+01 2.02 1.927204044e+01 3.801630634e+01 4.646338352e+01 2.04 1.765560868e+01 3.534594317e+01 4.335229053e+01 2.06 1.614912996e+01 3.284171885e+01 4.043015734e+01 2.08 1.474526606e+01 3.049336927e+01 3.768533394e+01 2.10 1.343721483e+01 2.829126009e+01 3.510690994e+01 2.12 1.221869143e+01 2.622637272e+01 3.268466868e+01 2.14 1.108389838e+01 2.429029647e+01 3.040906338e+01 2.16 1.002748507e+01 2.247520171e+01 2.827119621e+01 2.18 9.044491395e+00 2.077379732e+01 2.626278491e+01 2.20 8.130295895e+00 1.917926920e+01 2.437612792e+01 2.22 7.280566573e+00 1.768522736e+01 2.260403712e+01 2.24 6.491225664e+00 1.628566064e+01 2.093979585e+01 2.26 5.758426359e+00 1.497490481e+01 1.937710495e+01 2.28 5.078539554e+00 1.374762366e+01 1.791004198e+01 2.30 4.448144642e+00 1.259878522e+01 1.653301915e+01 2.32 3.864022765e+00 1.152365241e+01 1.524075760e+01 2.34 3.323149182e+00 1.051775936e+01 1.402826449e+01 2.36 2.822682779e+00 9.576899059e+00 1.289081967e+01 2.38 2.359956549e+00 8.697105587e+00 1.182397344e+01 2.40 1.932466268e+00 7.874638601e+00 1.082354379e+01 2.42 1.537860886e+00 7.105971284e+00 9.885618655e+00 2.44 1.173934246e+00 6.387779714e+00 9.006548135e+00 2.46 8.386181215e-01 5.716937763e+00 8.182928269e+00 2.48 5.299761852e-01 5.090513046e+00 7.411576501e+00 2.50 2.461984832e-01 4.505763570e+00 6.689505031e+00 2.52 -1.440398252e-02 3.960132951e+00 6.013891532e+00 2.54 -2.534047087e-01 3.451242741e+00 5.382059096e+00 2.56 -4.722719302e-01 2.976881268e+00 4.791461257e+00 2.58 -6.724403314e-01 2.534989313e+00 4.239674527e+00 2.60 -8.551500771e-01 2.123643834e+00 3.724395944e+00 2.62 -1.021517525e+00 1.741041617e+00 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-1.403510570e+00 3.00 -2.198956910e+00 -1.859381668e+00 -1.514137920e+00 3.02 -2.199076840e+00 -1.923894252e+00 -1.614805780e+00 3.04 -2.196005954e+00 -1.980722577e+00 -1.706100497e+00 3.06 -2.189921149e+00 -2.030387213e+00 -1.788579516e+00 3.08 -2.180975442e+00 -2.073389122e+00 -1.862770703e+00 3.10 -2.169329738e+00 -2.110212719e+00 -1.929173930e+00 3.12 -2.155150091e+00 -2.141322035e+00 -1.988264971e+00 3.14 -2.138605819e+00 -2.167163698e+00 -2.040495644e+00 3.16 -2.119868640e+00 -2.188158772e+00 -2.086293707e+00 3.18 -2.099111968e+00 -2.204706843e+00 -2.126062979e+00 3.20 -2.076494666e+00 -2.217183582e+00 -2.160183469e+00 3.22 -2.052159928e+00 -2.225939223e+00 -2.189013406e+00 3.24 -2.026261339e+00 -2.231296761e+00 -2.212888130e+00 3.26 -1.998961807e+00 -2.233550393e+00 -2.232122630e+00 3.28 -1.970429704e+00 -2.232966327e+00 -2.247012388e+00 3.30 -1.940833922e+00 -2.229858454e+00 -2.257834771e+00 3.32 -1.910338455e+00 -2.224425166e+00 -2.264850641e+00 3.34 -1.879096553e+00 -2.216768479e+00 -2.268306269e+00 3.36 -1.847249771e+00 -2.206990680e+00 -2.268435587e+00 3.38 -1.814920541e+00 -2.195194512e+00 -2.265472040e+00 3.40 -1.782214712e+00 -2.181483098e+00 -2.259718621e+00 3.42 -1.749220214e+00 -2.165961492e+00 -2.251339407e+00 3.44 -1.716012513e+00 -2.148734191e+00 -2.240473166e+00 3.46 -1.682650728e+00 -2.129905991e+00 -2.227275472e+00 3.48 -1.649184615e+00 -2.109572930e+00 -2.211917703e+00 3.50 -1.615655187e+00 -2.087811493e+00 -2.194583010e+00 3.52 -1.582101257e+00 -2.064699444e+00 -2.175470401e+00 3.54 -1.548555486e+00 -2.040317260e+00 -2.154777418e+00 3.56 -1.515050619e+00 -2.014747208e+00 -2.132702118e+00 3.58 -1.481619614e+00 -1.988072802e+00 -2.109423665e+00 3.60 -1.448296406e+00 -1.960378666e+00 -2.085092507e+00 3.62 -1.415116156e+00 -1.931750714e+00 -2.059845838e+00 3.64 -1.382115095e+00 -1.902276549e+00 -2.033805677e+00 3.66 -1.349330056e+00 -1.872045908e+00 -2.007077589e+00 3.68 -1.316797835e+00 -1.841150962e+00 -1.979751194e+00 3.70 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-1.866407960e-02 -6.371677875e-02 -9.425347667e-02 5.84 -1.773253187e-02 -6.093107458e-02 -9.023878173e-02 5.86 -1.683213140e-02 -5.818394666e-02 -8.626176658e-02 5.88 -1.596016357e-02 -5.547327731e-02 -8.232178351e-02 5.90 -1.511433396e-02 -5.279791287e-02 -7.841931388e-02 5.92 -1.429278005e-02 -5.015768851e-02 -7.455604053e-02 5.94 -1.349407350e-02 -4.755343067e-02 -7.073489666e-02 5.96 -1.271721291e-02 -4.498671463e-02 -6.696008386e-02 5.98 -1.196160701e-02 -4.246026682e-02 -6.323704724e-02 6.00 -1.122704790e-02 -3.997784308e-02 -5.957240653e-02