# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Starikov-S-Gordeev-I-Lysogorskiy-Y-et-al--Si-Au-Al # implementation = 2020--Starikov-S--Si-Au-Al--LAMMPS--ipr1 # composition = AlSi # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 0.84 nan nan nan nan 2.368989309e+02 2.368989309e+02 nan nan 0.86 nan nan nan nan 2.162512021e+02 2.162512021e+02 nan nan 0.88 nan nan nan nan 1.980015061e+02 1.980015061e+02 nan nan 0.90 nan nan nan nan 1.819069041e+02 1.819069041e+02 nan nan 0.92 nan nan nan nan 1.677097467e+02 1.677097467e+02 nan nan 0.94 2.510829798e+02 2.510829798e+02 nan nan 1.551016090e+02 1.551016090e+02 nan nan 0.96 2.299150796e+02 2.299150796e+02 nan nan 1.435756474e+02 1.435756474e+02 nan nan 0.98 2.110005657e+02 2.110005657e+02 nan nan 1.331464875e+02 1.331464875e+02 nan nan 1.00 1.940825110e+02 1.940825110e+02 nan nan 1.236012352e+02 1.236012352e+02 nan nan 1.02 1.789457932e+02 1.789457932e+02 nan nan 1.149127098e+02 1.149127098e+02 nan nan 1.04 1.653884320e+02 1.653884320e+02 nan nan 1.070025505e+02 1.070025505e+02 nan nan 1.06 1.531853751e+02 1.531853751e+02 nan nan 9.980547435e+01 9.980547435e+01 nan nan 1.08 1.422091529e+02 1.422091529e+02 2.016050456e+02 2.016050456e+02 9.331118790e+01 9.331118790e+01 2.222455718e+02 2.222455718e+02 1.10 1.322469799e+02 1.322469799e+02 1.862356856e+02 1.862356856e+02 8.748401012e+01 8.748401012e+01 2.052181449e+02 2.052181449e+02 1.12 1.231554601e+02 1.231554601e+02 1.722122107e+02 1.722122107e+02 8.203273098e+01 8.203273098e+01 1.896340477e+02 1.896340477e+02 1.14 1.148398425e+02 1.148398425e+02 1.596087425e+02 1.596087425e+02 7.710845848e+01 7.710845848e+01 1.753933640e+02 1.753933640e+02 1.16 1.072581649e+02 1.072581649e+02 1.481058905e+02 1.481058905e+02 7.251065406e+01 7.251065406e+01 1.624388651e+02 1.624388651e+02 1.18 1.003782828e+02 1.003782828e+02 1.375598846e+02 1.375598846e+02 6.821811713e+01 6.821811713e+01 1.506855503e+02 1.506855503e+02 1.20 9.412617324e+01 9.412617324e+01 1.278977379e+02 1.278977379e+02 6.423666640e+01 6.423666640e+01 1.400024402e+02 1.400024402e+02 1.22 8.844081580e+01 8.844081580e+01 1.190709918e+02 1.190709918e+02 6.057768204e+01 6.057768204e+01 1.302875994e+02 1.302875994e+02 1.24 8.329086622e+01 8.329086622e+01 1.110365343e+02 1.110365343e+02 5.723872877e+01 5.723872877e+01 1.213881161e+02 1.213881161e+02 1.26 7.863960029e+01 7.863960029e+01 1.037574489e+02 1.037574489e+02 5.420079623e+01 5.420079623e+01 1.133082110e+02 1.133082110e+02 1.28 7.428828011e+01 7.428828011e+01 9.716490766e+01 9.716490766e+01 5.143791829e+01 5.143791829e+01 1.059430793e+02 1.059430793e+02 1.30 7.039071045e+01 7.039071045e+01 9.117901999e+01 9.117901999e+01 4.893005778e+01 4.893005778e+01 9.923716544e+01 9.923716544e+01 1.32 6.673068333e+01 6.673068333e+01 8.571955685e+01 8.571955685e+01 4.665208922e+01 4.665208922e+01 9.312341719e+01 9.312341719e+01 1.34 6.327489305e+01 6.327489305e+01 8.074825077e+01 8.074825077e+01 4.459586680e+01 4.459586680e+01 8.751290041e+01 8.751290041e+01 1.36 6.001113796e+01 6.001113796e+01 7.622568325e+01 7.622568325e+01 4.275274091e+01 4.275274091e+01 8.240250706e+01 8.240250706e+01 1.38 5.694966845e+01 5.694966845e+01 7.211349399e+01 7.211349399e+01 4.110694578e+01 4.110694578e+01 7.772933104e+01 7.772933104e+01 1.40 5.409902392e+01 5.409902392e+01 6.836358769e+01 6.836358769e+01 3.962818424e+01 3.962818424e+01 7.345612258e+01 7.345612258e+01 1.42 5.146596974e+01 5.146596974e+01 6.494355419e+01 6.494355419e+01 3.829601000e+01 3.829601000e+01 6.954328068e+01 6.954328068e+01 1.44 4.904327733e+01 4.904327733e+01 6.181862614e+01 6.181862614e+01 3.709321984e+01 3.709321984e+01 6.595774070e+01 6.595774070e+01 1.46 4.681128532e+01 4.681128532e+01 5.896024082e+01 5.896024082e+01 3.601727226e+01 3.601727226e+01 6.267530843e+01 6.267530843e+01 1.48 4.475165886e+01 4.475165886e+01 5.634267929e+01 5.634267929e+01 3.506002527e+01 3.506002527e+01 5.967355466e+01 5.967355466e+01 1.50 4.285183638e+01 4.285183638e+01 5.394473311e+01 5.394473311e+01 3.420484291e+01 3.420484291e+01 5.693271188e+01 5.693271188e+01 1.52 4.109895676e+01 4.109895676e+01 5.175311056e+01 5.175311056e+01 3.343494762e+01 3.343494762e+01 5.442874227e+01 5.442874227e+01 1.54 3.949456035e+01 3.949456035e+01 4.975377507e+01 4.975377507e+01 3.273560991e+01 3.273560991e+01 5.213283589e+01 5.213283589e+01 1.56 3.803735367e+01 3.803735367e+01 4.789922218e+01 4.789922218e+01 3.209479239e+01 3.209479239e+01 5.002123885e+01 5.002123885e+01 1.58 3.672587264e+01 3.672587264e+01 4.615824491e+01 4.615824491e+01 3.151157730e+01 3.151157730e+01 4.808289656e+01 4.808289656e+01 1.60 3.554948745e+01 3.554948745e+01 4.456257753e+01 4.456257753e+01 3.098433496e+01 3.098433496e+01 4.630383881e+01 4.630383881e+01 1.62 3.449115809e+01 3.449115809e+01 4.305267449e+01 4.305267449e+01 3.051126360e+01 3.051126360e+01 4.467348897e+01 4.467348897e+01 1.64 3.353562519e+01 3.353562519e+01 4.162529832e+01 4.162529832e+01 3.008994516e+01 3.008994516e+01 4.318208542e+01 4.318208542e+01 1.66 3.266948599e+01 3.266948599e+01 4.028348935e+01 4.028348935e+01 2.971566045e+01 2.971566045e+01 4.182022820e+01 4.182022820e+01 1.68 3.189129397e+01 3.189129397e+01 3.902573761e+01 3.902573761e+01 2.673834374e+01 2.673834374e+01 4.058496892e+01 4.058496892e+01 1.70 3.119787091e+01 3.119787091e+01 3.784635848e+01 3.784635848e+01 2.295724182e+01 2.295724182e+01 3.946150335e+01 3.946150335e+01 1.72 3.057913078e+01 3.057913078e+01 3.674401641e+01 3.674401641e+01 1.822504114e+01 1.822504114e+01 3.843434595e+01 3.843434595e+01 1.74 3.002586846e+01 3.002586846e+01 3.571398150e+01 3.571398150e+01 1.435066037e+01 1.435066037e+01 3.743212812e+01 3.743212812e+01 1.76 2.952802968e+01 2.952802968e+01 3.474878298e+01 3.474878298e+01 1.117212622e+01 1.117212622e+01 3.654404733e+01 3.654404733e+01 1.78 2.907424082e+01 2.907424082e+01 3.384107068e+01 3.384107068e+01 8.612466259e+00 8.612466259e+00 3.569789674e+01 3.569789674e+01 1.80 2.865277178e+01 2.865277178e+01 3.297931592e+01 3.297931592e+01 6.598585142e+00 6.598585142e+00 3.488242407e+01 3.488242407e+01 1.82 2.818228917e+01 2.818228917e+01 3.205972082e+01 3.205972082e+01 4.985179166e+00 4.985179166e+00 3.398211995e+01 3.398211995e+01 1.84 2.779905060e+01 2.779905060e+01 3.127140301e+01 3.127140301e+01 3.730633361e+00 3.730633361e+00 3.317973134e+01 3.317973134e+01 1.86 2.742756589e+01 2.742756589e+01 3.051567428e+01 3.051567428e+01 2.708374776e+00 2.708374776e+00 3.237806330e+01 3.237806330e+01 1.88 2.707126902e+01 2.707126902e+01 2.979482472e+01 2.979482472e+01 1.848558755e+00 1.848558755e+00 3.158227063e+01 3.158227063e+01 1.90 2.533070009e+01 2.533070009e+01 2.910949212e+01 2.910949212e+01 1.097133260e+00 1.097133260e+00 3.080293764e+01 3.080293764e+01 1.92 2.224820990e+01 2.224820990e+01 2.845920652e+01 2.845920652e+01 4.183973874e-01 4.183973874e-01 3.004799930e+01 3.004799930e+01 1.94 1.954355233e+01 1.954355233e+01 2.784244178e+01 2.784244178e+01 -1.626790461e-01 -1.626790461e-01 2.932232871e+01 2.932232871e+01 1.96 1.656248539e+01 1.656248539e+01 2.725670883e+01 2.725670883e+01 -6.032714377e-01 -6.032714377e-01 2.862872712e+01 2.862872712e+01 1.98 1.340346080e+01 1.340346080e+01 2.670231705e+01 2.670231705e+01 -9.615352719e-01 -9.615352719e-01 2.797229413e+01 2.797229413e+01 2.00 1.064292398e+01 1.064292398e+01 2.519414572e+01 2.519414572e+01 -1.273919275e+00 -1.273919275e+00 2.735696860e+01 2.735696860e+01 2.02 8.288165426e+00 8.288165426e+00 2.207528986e+01 2.207528986e+01 -1.566109940e+00 -1.566109940e+00 2.678110690e+01 2.678110690e+01 2.04 6.325792813e+00 6.325792813e+00 1.948296150e+01 1.948296150e+01 -1.838654121e+00 -1.838654121e+00 2.577803930e+01 2.577803930e+01 2.06 4.725116149e+00 4.725116149e+00 1.724430989e+01 1.724430989e+01 -2.080179620e+00 -2.080179620e+00 2.253836166e+01 2.253836166e+01 2.08 3.413803111e+00 3.413803111e+00 1.527177723e+01 1.527177723e+01 -2.288840897e+00 -2.288840897e+00 1.997946046e+01 1.997946046e+01 2.10 2.287026409e+00 2.287026409e+00 1.331672562e+01 1.331672562e+01 -2.467611142e+00 -2.467611142e+00 1.682733427e+01 1.682733427e+01 2.12 1.304881599e+00 1.304881599e+00 1.043397349e+01 1.043397349e+01 -2.620317312e+00 -2.620317312e+00 1.413596700e+01 1.413596700e+01 2.14 4.488995450e-01 4.488995450e-01 7.980357738e+00 7.980357738e+00 -2.753903793e+00 -2.753903793e+00 1.195019332e+01 1.195019332e+01 2.16 -2.948211523e-01 -2.948211523e-01 5.971573135e+00 5.971573135e+00 -2.875397778e+00 -2.875397778e+00 1.010323635e+01 1.010323635e+01 2.18 -9.414391381e-01 -9.414391381e-01 4.388453581e+00 4.388453581e+00 -2.989307159e+00 -2.989307159e+00 8.475354859e+00 8.475354859e+00 2.20 -1.501038851e+00 -1.501038851e+00 3.175594727e+00 3.175594727e+00 -3.096350530e+00 -3.096350530e+00 7.003284884e+00 7.003284884e+00 2.22 -1.987533051e+00 -1.987533051e+00 2.252107633e+00 2.252107633e+00 -3.193774557e+00 -3.193774557e+00 5.654265087e+00 5.654265087e+00 2.24 -2.413819777e+00 -2.413819777e+00 1.558936254e+00 1.558936254e+00 -3.280819561e+00 -3.280819561e+00 4.421403361e+00 4.421403361e+00 2.26 -2.759318303e+00 -2.759318303e+00 1.029663160e+00 1.029663160e+00 -3.357605443e+00 -3.357605443e+00 3.302504816e+00 3.302504816e+00 2.28 -2.995273981e+00 -2.995273981e+00 5.958926184e-01 5.958926184e-01 -3.424431919e+00 -3.424431919e+00 2.300249953e+00 2.300249953e+00 2.30 -3.172135613e+00 -3.172135613e+00 2.033956163e-01 2.033956163e-01 -3.481524216e+00 -3.481524216e+00 1.403673225e+00 1.403673225e+00 2.32 -3.303499276e+00 -3.303499276e+00 -1.806678122e-01 -1.806678122e-01 -3.529226309e+00 -3.529226309e+00 6.124762255e-01 6.124762255e-01 2.34 -3.408456459e+00 -3.408456459e+00 -5.713201353e-01 -5.713201353e-01 -3.568284790e+00 -3.568284790e+00 -8.383447134e-02 -8.383447134e-02 2.36 -3.497461028e+00 -3.497461028e+00 -9.736238112e-01 -9.736238112e-01 -3.599474261e+00 -3.599474261e+00 -6.900293775e-01 -6.900293775e-01 2.38 -3.582169815e+00 -3.582169815e+00 -1.370388258e+00 -1.370388258e+00 -3.623640727e+00 -3.623640727e+00 -1.211964424e+00 -1.211964424e+00 2.40 -3.664580517e+00 -3.664580517e+00 -1.736869429e+00 -1.736869429e+00 -3.641627197e+00 -3.641627197e+00 -1.661221400e+00 -1.661221400e+00 2.42 -3.736869351e+00 -3.736869351e+00 -2.060167732e+00 -2.060167732e+00 -3.654301027e+00 -3.654301027e+00 -2.040558354e+00 -2.040558354e+00 2.44 -3.793954110e+00 -3.793954110e+00 -2.338892534e+00 -2.338892534e+00 -3.662547804e+00 -3.662547804e+00 -2.354386881e+00 -2.354386881e+00 2.46 -3.832792242e+00 -3.832792242e+00 -2.570833101e+00 -2.570833101e+00 -3.667044327e+00 -3.667044327e+00 -2.612213590e+00 -2.612213590e+00 2.48 -3.855222351e+00 -3.855222351e+00 -2.760325716e+00 -2.760325716e+00 -3.667971347e+00 -3.667971347e+00 -2.822534807e+00 -2.822534807e+00 2.50 -3.865294432e+00 -3.865294432e+00 -2.913588782e+00 -2.913588782e+00 -3.665181080e+00 -3.665181080e+00 -2.991071447e+00 -2.991071447e+00 2.52 -3.867925635e+00 -3.867925635e+00 -3.034051302e+00 -3.034051302e+00 -3.659069845e+00 -3.659069845e+00 -3.124455414e+00 -3.124455414e+00 2.54 -3.867135650e+00 -3.867135650e+00 -3.128769331e+00 -3.128769331e+00 -3.650021904e+00 -3.650021904e+00 -3.231407449e+00 -3.231407449e+00 2.56 -3.863110175e+00 -3.863110175e+00 -3.208096049e+00 -3.208096049e+00 -3.638031985e+00 -3.638031985e+00 -3.319458229e+00 -3.319458229e+00 2.58 -3.856450400e+00 -3.856450400e+00 -3.282191484e+00 -3.282191484e+00 -3.623196411e+00 -3.623196411e+00 -3.394202326e+00 -3.394202326e+00 2.60 -3.847717990e+00 -3.847717990e+00 -3.365690897e+00 -3.365690897e+00 -3.606021646e+00 -3.606021646e+00 -3.459723679e+00 -3.459723679e+00 2.62 -3.837272110e+00 -3.837272110e+00 -3.458579039e+00 -3.458579039e+00 -3.587195121e+00 -3.587195121e+00 -3.520228952e+00 -3.520228952e+00 2.64 -3.825321172e+00 -3.825321172e+00 -3.539618885e+00 -3.539618885e+00 -3.567490611e+00 -3.567490611e+00 -3.569758834e+00 -3.569758834e+00 2.66 -3.811721813e+00 -3.811721813e+00 -3.595979602e+00 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