# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2002--Albe-K-Nordlund-K-Averback-R-S--Pt-C # implementation = Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_003 # composition = CPt3 # 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 2024-11-27 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 6.892393526e+03 nan nan 0.70 6.178628894e+03 nan nan 0.72 5.548296027e+03 nan nan 0.74 4.990338343e+03 6.978803405e+03 nan 0.76 4.495880541e+03 6.304246393e+03 6.993708227e+03 0.78 4.054097642e+03 5.689536806e+03 6.345378873e+03 0.80 3.656620745e+03 5.145523939e+03 5.769053835e+03 0.82 3.304934540e+03 4.677928184e+03 5.252994296e+03 0.84 2.998028602e+03 4.265961055e+03 4.792855554e+03 0.86 2.722078719e+03 3.887245239e+03 4.373560209e+03 0.88 2.471635867e+03 3.539215269e+03 3.986562237e+03 0.90 2.246324200e+03 3.223587272e+03 3.634268959e+03 0.92 2.045228299e+03 2.942532852e+03 3.319316624e+03 0.94 1.863439562e+03 2.695648325e+03 3.041331844e+03 0.96 1.691558326e+03 2.473559662e+03 2.787507356e+03 0.98 1.530804409e+03 2.270531020e+03 2.547083197e+03 1.00 1.383772805e+03 2.080628090e+03 2.322647475e+03 1.02 1.252845329e+03 1.900407749e+03 2.117480524e+03 1.04 1.140047322e+03 1.731204761e+03 1.935091399e+03 1.06 1.041048821e+03 1.575535342e+03 1.778541235e+03 1.08 9.506882910e+02 1.436146970e+03 1.640139364e+03 1.10 8.678982934e+02 1.314038685e+03 1.513295658e+03 1.12 7.889730693e+02 1.206085207e+03 1.396609792e+03 1.14 7.140637817e+02 1.107781321e+03 1.286521553e+03 1.16 6.444575972e+02 1.017589265e+03 1.181670767e+03 1.18 5.809741226e+02 9.351348076e+02 1.083116113e+03 1.20 5.250009666e+02 8.601595025e+02 9.919936937e+02 1.22 4.780027701e+02 7.923969752e+02 9.092218581e+02 1.24 4.379559261e+02 7.310098753e+02 8.354374997e+02 1.26 4.012135705e+02 6.745014729e+02 7.705966656e+02 1.28 3.674693199e+02 6.216090429e+02 7.112015813e+02 1.30 3.364995126e+02 5.721136395e+02 6.562095055e+02 1.32 3.080490311e+02 5.252621876e+02 6.053105286e+02 1.34 2.819209225e+02 4.792580087e+02 5.583053235e+02 1.36 2.579563090e+02 4.347403722e+02 5.150540125e+02 1.38 2.359971116e+02 3.925314907e+02 4.753873827e+02 1.40 2.156076568e+02 3.535839265e+02 4.391228424e+02 1.42 1.958588253e+02 3.184589907e+02 4.060176127e+02 1.44 1.768619351e+02 2.877860605e+02 3.755414316e+02 1.46 1.588517448e+02 2.626452694e+02 3.465734218e+02 1.48 1.420588265e+02 2.416844407e+02 3.176930257e+02 1.50 1.267520972e+02 2.223172067e+02 2.892674636e+02 1.52 1.132095620e+02 2.044073032e+02 2.617542295e+02 1.54 1.016452073e+02 1.877830952e+02 2.356344484e+02 1.56 9.202187211e+01 1.723614152e+02 2.114408630e+02 1.58 8.336188802e+01 1.580926816e+02 1.898212211e+02 1.60 7.538108333e+01 1.449222168e+02 1.715018726e+02 1.62 6.805545749e+01 1.327897221e+02 1.569373348e+02 1.64 6.135533155e+01 1.216299489e+02 1.443637040e+02 1.66 5.524421316e+01 1.113727531e+02 1.327433582e+02 1.68 4.967628340e+01 1.019411795e+02 1.219796589e+02 1.70 4.461210563e+01 9.326850344e+01 1.119487940e+02 1.72 4.001156329e+01 8.529126205e+01 1.026008722e+02 1.74 3.583376086e+01 7.794008952e+01 9.391364894e+01 1.76 3.203846629e+01 7.114874085e+01 8.586268321e+01 1.78 2.858073581e+01 6.487458007e+01 7.842052050e+01 1.80 2.541710479e+01 5.904551595e+01 7.155652166e+01 1.82 2.252408902e+01 5.362679252e+01 6.523719389e+01 1.84 1.988041731e+01 4.860459477e+01 5.942687598e+01 1.86 1.746643586e+01 4.396388527e+01 5.408863582e+01 1.88 1.526398670e+01 3.968794622e+01 4.918525255e+01 1.90 1.325629528e+01 3.575827173e+01 4.468017547e+01 1.92 1.142786643e+01 3.215473664e+01 4.053285802e+01 1.94 9.764388254e+00 2.885596465e+01 3.670072203e+01 1.96 8.252643092e+00 2.583982051e+01 3.316070011e+01 1.98 6.880425244e+00 2.308395779e+01 2.989207058e+01 2.00 5.636464828e+00 2.056636298e+01 2.687554567e+01 2.02 4.510357350e+00 1.826584889e+01 2.409317252e+01 2.04 3.492498546e+00 1.615780667e+01 2.152824115e+01 2.06 2.574024109e+00 1.422137109e+01 1.916331134e+01 2.08 1.746753925e+00 1.244396507e+01 1.697344919e+01 2.10 1.003140488e+00 1.081390398e+01 1.494861603e+01 2.12 3.362211718e-01 9.320324599e+00 1.308149609e+01 2.14 -2.604259233e-01 7.953128388e+00 1.136458546e+01 2.16 -7.927228166e-01 6.702928707e+00 9.790103269e+00 2.18 -1.266129440e+00 5.537148396e+00 8.349976748e+00 2.20 -1.685678599e+00 4.398905740e+00 7.035884802e+00 2.22 -2.056008322e+00 3.298439806e+00 5.839344544e+00 2.24 -2.382888423e+00 2.249592649e+00 4.751825529e+00 2.26 -2.715473422e+00 1.265502672e+00 3.764877752e+00 2.28 -3.059380008e+00 3.575498637e-01 2.870261148e+00 2.30 -3.390321649e+00 -4.653411916e-01 2.060066440e+00 2.32 -3.684506658e+00 -1.197047528e+00 1.326819434e+00 2.34 -3.921531210e+00 -1.834308155e+00 6.634690808e-01 2.36 -4.086884971e+00 -2.376607423e+00 6.273123174e-02 2.38 -4.171793033e+00 -2.825998693e+00 -4.805525962e-01 2.40 -4.168330733e+00 -3.186942660e+00 -9.707185483e-01 2.42 -4.084768077e+00 -3.466150284e+00 -1.411801846e+00 2.44 -3.941121319e+00 -3.683034435e+00 -1.807556916e+00 2.46 -3.765351822e+00 -3.869260492e+00 -2.161476189e+00 2.48 -3.587544690e+00 -4.028492472e+00 -2.476807671e+00 2.50 -3.432288951e+00 -4.163028233e+00 -2.756571352e+00 2.52 -3.297747644e+00 -4.283014877e+00 -3.030341759e+00 2.54 -3.156613398e+00 -4.391432634e+00 -3.315700678e+00 2.56 -3.012953258e+00 -4.478873312e+00 -3.596131780e+00 2.58 -2.872064490e+00 -4.536159823e+00 -3.854696693e+00 2.60 -2.738986153e+00 -4.555598853e+00 -4.075740486e+00 2.62 -2.618184235e+00 -4.532115925e+00 -4.246441947e+00 2.64 -2.513258748e+00 -4.464158381e+00 -4.358151802e+00 2.66 -2.426710978e+00 -4.354277513e+00 -4.407468230e+00 2.68 -2.359802867e+00 -4.209296417e+00 -4.396977505e+00 2.70 -2.311772113e+00 -4.039965693e+00 -4.335524281e+00 2.72 -2.268305930e+00 -3.860022310e+00 -4.237771982e+00 2.74 -2.224343035e+00 -3.684627478e+00 -4.122721387e+00 2.76 -2.180021214e+00 -3.528298398e+00 -4.010920217e+00 2.78 -2.135465802e+00 -3.402663914e+00 -3.920521605e+00 2.80 -2.090790619e+00 -3.314584049e+00 -3.863160188e+00 2.82 -2.046098839e+00 -3.248511347e+00 -3.821838505e+00 2.84 -2.001483796e+00 -3.187554257e+00 -3.776625715e+00 2.86 -1.957029733e+00 -3.131981312e+00 -3.727987018e+00 2.88 -1.912812503e+00 -3.077805614e+00 -3.676350125e+00 2.90 -1.868900210e+00 -3.022496342e+00 -3.622107970e+00 2.92 -1.814122915e+00 -2.954169468e+00 -3.553923693e+00 2.94 -1.738634915e+00 -2.861607985e+00 -3.460540023e+00 2.96 -1.644814114e+00 -2.746190528e+00 -3.342549623e+00 2.98 -1.535407264e+00 -2.609515906e+00 -3.200731815e+00 3.00 -1.413438684e+00 -2.453426481e+00 -3.036105398e+00 3.02 -1.282116365e+00 -2.280031265e+00 -2.849976482e+00 3.04 -1.144738131e+00 -2.091728933e+00 -2.643984911e+00 3.06 -1.004600429e+00 -1.891231341e+00 -2.420154567e+00 3.08 -8.649120344e-01 -1.681588183e+00 -2.180954795e+00 3.10 -7.287147241e-01 -1.466213126e+00 -1.929381963e+00 3.12 -5.988126542e-01 -1.248910711e+00 -1.669071102e+00 3.14 -4.777118308e-01 -1.033901194e+00 -1.404445641e+00 3.16 -3.675707273e-01 -8.258362416e-01 -1.140904554e+00 3.18 -2.701627324e-01 -6.297904656e-01 -8.850237763e-01 3.20 -1.868507619e-01 -4.512002649e-01 -6.447039851e-01 3.22 -1.185740216e-01 -2.957020609e-01 -4.291260399e-01 3.24 -6.584658785e-02 -1.688043059e-01 -2.483000595e-01 3.26 -2.876717426e-02 -7.533565839e-02 -1.119877828e-01 3.28 -7.039193523e-03 -1.868470152e-02 -2.796244166e-02 3.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 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