# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Plummer-G-Tucker-G-J--Ti-Si-C # implementation = 2019--Plummer-G--Ti-Si-C--LAMMPS--ipr1 # composition = Si3Ti # 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 2.539506811e+03 nan nan 0.78 2.307474105e+03 nan nan 0.80 2.100828955e+03 nan nan 0.82 1.914618081e+03 2.642707799e+03 nan 0.84 1.745708317e+03 2.418576556e+03 nan 0.86 1.592849469e+03 2.218410204e+03 2.458097136e+03 0.88 1.455466118e+03 2.037163321e+03 2.257671837e+03 0.90 1.332241159e+03 1.871328178e+03 2.076651393e+03 0.92 1.219425152e+03 1.719463828e+03 1.912459859e+03 0.94 1.115671594e+03 1.581986267e+03 1.761114435e+03 0.96 1.022041960e+03 1.456520840e+03 1.621626559e+03 0.98 9.378573972e+02 1.340544718e+03 1.494933995e+03 1.00 8.605777715e+02 1.233499205e+03 1.380583261e+03 1.02 7.900403909e+02 1.135953513e+03 1.275683775e+03 1.04 7.265468258e+02 1.048771951e+03 1.179843866e+03 1.06 6.692575478e+02 9.698232104e+02 1.090893970e+03 1.08 6.157673451e+02 8.976701477e+02 1.009118512e+03 1.10 5.655321635e+02 8.313447928e+02 9.336341067e+02 1.12 5.186240566e+02 7.692596136e+02 8.639343863e+02 1.14 4.758081655e+02 7.115977724e+02 7.998488619e+02 1.16 4.376366555e+02 6.584794898e+02 7.407515811e+02 1.18 4.026039113e+02 6.091297324e+02 6.868362638e+02 1.20 3.700093960e+02 5.632942887e+02 6.376663898e+02 1.22 3.390443285e+02 5.205190592e+02 5.921428208e+02 1.24 3.101586917e+02 4.813543190e+02 5.498960089e+02 1.26 2.840065896e+02 4.461206114e+02 5.097216468e+02 1.28 2.606085858e+02 4.134125903e+02 4.715934768e+02 1.30 2.399965178e+02 3.824639474e+02 4.359277939e+02 1.32 2.213419856e+02 3.528947087e+02 4.034054512e+02 1.34 2.040969329e+02 3.249500261e+02 3.745358702e+02 1.36 1.881156931e+02 2.991893974e+02 3.483312759e+02 1.38 1.733197293e+02 2.762526152e+02 3.236212917e+02 1.40 1.595354336e+02 2.558256840e+02 3.004719052e+02 1.42 1.465047062e+02 2.375550565e+02 2.789743976e+02 1.44 1.342568666e+02 2.204315165e+02 2.591872061e+02 1.46 1.228489043e+02 2.042923094e+02 2.410033314e+02 1.48 1.121667942e+02 1.891792156e+02 2.236620671e+02 1.50 1.022692713e+02 1.751317549e+02 2.070556497e+02 1.52 9.327152823e+01 1.621815954e+02 1.913155014e+02 1.54 8.504461796e+01 1.503283379e+02 1.766210803e+02 1.56 7.758545886e+01 1.393497024e+02 1.631837516e+02 1.58 7.090412944e+01 1.290659013e+02 1.511827497e+02 1.60 6.493361701e+01 1.194452571e+02 1.405262509e+02 1.62 5.942615262e+01 1.104579335e+02 1.306283740e+02 1.64 5.428685879e+01 1.020350241e+02 1.212886301e+02 1.66 4.938808167e+01 9.406722333e+01 1.122490866e+02 1.68 4.473020954e+01 8.655615429e+01 1.035405914e+02 1.70 4.034564756e+01 7.951026917e+01 9.523904436e+01 1.72 3.627194748e+01 7.273067210e+01 8.743312146e+01 1.74 3.254289492e+01 6.614680794e+01 8.020245838e+01 1.76 2.898448439e+01 5.984517757e+01 7.365460368e+01 1.78 2.551250423e+01 5.393048779e+01 6.783737529e+01 1.80 2.206890041e+01 4.841501048e+01 6.249014183e+01 1.82 1.864982311e+01 4.340402933e+01 5.749304981e+01 1.84 1.532262633e+01 3.908000394e+01 5.283086276e+01 1.86 1.223376377e+01 3.554298383e+01 4.848785314e+01 1.88 9.637663430e+00 3.238857502e+01 4.444310782e+01 1.90 7.796180184e+00 2.945579607e+01 4.049668205e+01 1.92 6.368516192e+00 2.673021167e+01 3.657192109e+01 1.94 5.075135053e+00 2.419830373e+01 3.270145433e+01 1.96 3.906270184e+00 2.184741316e+01 2.892335023e+01 1.98 2.850915118e+00 1.966568545e+01 2.529513038e+01 2.00 1.892100057e+00 1.761864562e+01 2.191526108e+01 2.02 1.021363700e+00 1.555910641e+01 1.892590693e+01 2.04 2.326169042e-01 1.347585037e+01 1.648115118e+01 2.06 -4.800016885e-01 1.138977607e+01 1.459999517e+01 2.08 -1.122135886e+00 9.326495690e+00 1.290901920e+01 2.10 -1.699209224e+00 7.324216798e+00 1.134034111e+01 2.12 -2.216411270e+00 5.445591478e+00 9.886202808e+00 2.14 -2.678675810e+00 3.784575342e+00 8.539313624e+00 2.16 -3.090654541e+00 2.450035691e+00 7.292822685e+00 2.18 -3.456690511e+00 1.499953358e+00 6.140292967e+00 2.20 -3.780795723e+00 7.068222426e-01 5.075676845e+00 2.22 -4.066636975e+00 -1.520880198e-02 4.093293089e+00 2.24 -4.317532921e+00 -6.711757103e-01 3.187805206e+00 2.26 -4.536050760e+00 -1.265979976e+00 2.354201050e+00 2.28 -4.724232267e+00 -1.804348351e+00 1.587773631e+00 2.30 -4.884537868e+00 -2.290787034e+00 8.838301499e-01 2.32 -5.019261114e+00 -2.729535786e+00 2.045457813e-01 2.34 -5.130533241e+00 -3.124527956e+00 -4.714902581e-01 2.36 -5.220333980e+00 -3.479362123e+00 -1.138704912e+00 2.38 -5.290501661e+00 -3.797287014e+00 -1.790219953e+00 2.40 -5.342742671e+00 -4.080745538e+00 -2.417483291e+00 2.42 -5.378640294e+00 -4.331964608e+00 -3.009348124e+00 2.44 -5.399662974e+00 -4.553309761e+00 -3.551390265e+00 2.46 -5.407172048e+00 -4.746993595e+00 -4.026350764e+00 2.48 -5.402428970e+00 -4.915085160e+00 -4.416656502e+00 2.50 -5.386602068e+00 -5.059518792e+00 -4.709151764e+00 2.52 -5.360772859e+00 -5.182102407e+00 -4.908902138e+00 2.54 -5.325941951e+00 -5.284525305e+00 -5.073504027e+00 2.56 -5.283034561e+00 -5.368365498e+00 -5.214587979e+00 2.58 -5.232905667e+00 -5.433948340e+00 -5.334057106e+00 2.60 -5.176344835e+00 -5.480776372e+00 -5.433723369e+00 2.62 -5.114080708e+00 -5.509998047e+00 -5.515301873e+00 2.64 -5.046785224e+00 -5.522807457e+00 -5.580405069e+00 2.66 -4.971815747e+00 -5.520423070e+00 -5.630537520e+00 2.68 -4.875771659e+00 -5.504083045e+00 -5.667091809e+00 2.70 -4.755849537e+00 -5.475039114e+00 -5.691346131e+00 2.72 -4.611565883e+00 -5.434549207e+00 -5.704463937e+00 2.74 -4.443181841e+00 -5.383869063e+00 -5.707495860e+00 2.76 -4.252099405e+00 -5.324243015e+00 -5.701172700e+00 2.78 -4.041158009e+00 -5.256894194e+00 -5.685709792e+00 2.80 -3.814766175e+00 -5.183014368e+00 -5.661863209e+00 2.82 -3.578790296e+00 -5.103775715e+00 -5.630379954e+00 2.84 -3.340130832e+00 -5.020473509e+00 -5.591957072e+00 2.86 -3.105992087e+00 -4.933675061e+00 -5.547244676e+00 2.88 -2.883013044e+00 -4.843948175e+00 -5.496848795e+00 2.90 -2.676499343e+00 -4.752133887e+00 -5.441334063e+00 2.92 -2.479442363e+00 -4.659328575e+00 -5.381226246e+00 2.94 -2.285942574e+00 -4.566794306e+00 -5.317014626e+00 2.96 -2.097958214e+00 -4.475761530e+00 -5.249131125e+00 2.98 -1.917425674e+00 -4.382413921e+00 -5.172284270e+00 3.00 -1.746238620e+00 -4.283523655e+00 -5.082572839e+00 3.02 -1.586221095e+00 -4.179047555e+00 -4.980622228e+00 3.04 -1.439092073e+00 -4.068505996e+00 -4.867141714e+00 3.06 -1.306419125e+00 -3.951349174e+00 -4.742921108e+00 3.08 -1.189559931e+00 -3.827647644e+00 -4.608826485e+00 3.10 -1.089592808e+00 -3.698439266e+00 -4.465795080e+00 3.12 -1.007241115e+00 -3.564124362e+00 -4.314829521e+00 3.14 -9.428009097e-01 -3.425584066e+00 -4.156991547e+00 3.16 -8.960849336e-01 -3.283732566e+00 -3.993395375e+00 3.18 -8.663801206e-01 -3.139511389e+00 -3.825200885e+00 3.20 -8.443211713e-01 -2.993883406e+00 -3.653606754e+00 3.22 -8.226623832e-01 -2.847826576e+00 -3.479843693e+00 3.24 -8.014070893e-01 -2.702327360e+00 -3.305167813e+00 3.26 -7.787086313e-01 -2.555475083e+00 -3.128510228e+00 3.28 -7.439647826e-01 -2.391001316e+00 -2.936701955e+00 3.30 -6.967507024e-01 -2.207596570e+00 -2.727731229e+00 3.32 -6.388489428e-01 -2.007378707e+00 -2.502079932e+00 3.34 -5.723321285e-01 -1.793065031e+00 -2.260625031e+00 3.36 -4.995413914e-01 -1.568057408e+00 -2.004875687e+00 3.38 -4.230558177e-01 -1.336528508e+00 -1.737250927e+00 3.40 -3.456441488e-01 -1.103499465e+00 -1.461408887e+00 3.42 -2.701904556e-01 -8.748930309e-01 -1.182635767e+00 3.44 -1.995875419e-01 -6.575329852e-01 -9.082767718e-01 3.46 -1.365962207e-01 -4.590356743e-01 -6.481165230e-01 3.48 -8.367582963e-02 -2.875030141e-01 -4.144651342e-01 3.50 -4.280088659e-02 -1.508964681e-01 -2.214995149e-01 3.52 -1.528853806e-02 -5.600590935e-02 -8.332602562e-02 3.54 -1.667733743e-03 -7.107916220e-03 -1.065186602e-02 3.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 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