# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1990--Ackland-G-J-Vitek-V--Cu-Ag-Au # implementation = 1990--Ackland-G-J--Cu-Ag-Au--LAMMPS--ipr1 # composition = Au3Cu # 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 2023-05-12 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 4.032356004e+02 nan nan 0.84 3.721202780e+02 nan nan 0.86 3.439540836e+02 nan nan 0.88 3.183576651e+02 nan nan 0.90 2.950883675e+02 3.954230695e+02 nan 0.92 2.738742689e+02 3.674931565e+02 4.039836054e+02 0.94 2.543840849e+02 3.419398956e+02 3.761095982e+02 0.96 2.363937318e+02 3.185465316e+02 3.506284167e+02 0.98 2.198117259e+02 2.970738155e+02 3.272137645e+02 1.00 2.044943312e+02 2.773599135e+02 3.056234783e+02 1.02 1.903290502e+02 2.592112820e+02 2.856675421e+02 1.04 1.772561592e+02 2.423482636e+02 2.672059109e+02 1.06 1.652081207e+02 2.266138856e+02 2.500847658e+02 1.08 1.541150962e+02 2.119871405e+02 2.341986950e+02 1.10 1.438474186e+02 1.984477815e+02 2.194737122e+02 1.12 1.343004371e+02 1.858963172e+02 2.058117730e+02 1.14 1.254241878e+02 1.742492509e+02 1.931376621e+02 1.16 1.171671590e+02 1.634527482e+02 1.813785510e+02 1.18 1.094702327e+02 1.534158243e+02 1.704362508e+02 1.20 1.023164454e+02 1.440518106e+02 1.602237740e+02 1.22 9.567148643e+01 1.352795206e+02 1.506983727e+02 1.24 8.945882104e+01 1.270599193e+02 1.418121051e+02 1.26 8.361508464e+01 1.193600402e+02 1.334805907e+02 1.28 7.812818644e+01 1.121385813e+02 1.256231360e+02 1.30 7.301179031e+01 1.053686639e+02 1.182140752e+02 1.32 6.825312821e+01 9.900601365e+01 1.112630291e+02 1.34 6.381904079e+01 9.300266921e+01 1.047472084e+02 1.36 5.967490321e+01 8.734939379e+01 9.864410703e+01 1.38 5.580457406e+01 8.206322238e+01 9.293438621e+01 1.40 5.219708624e+01 7.713928556e+01 8.757342713e+01 1.42 4.882961833e+01 7.254344641e+01 8.252891969e+01 1.44 4.566922612e+01 6.824741641e+01 7.777491636e+01 1.46 4.268336756e+01 6.422357201e+01 7.327600216e+01 1.48 3.984886725e+01 6.043728222e+01 6.902099570e+01 1.50 3.715056100e+01 5.685911210e+01 6.500828570e+01 1.52 3.458923017e+01 5.346453666e+01 6.122289090e+01 1.54 3.217205855e+01 5.023675726e+01 5.764321296e+01 1.56 2.989843232e+01 4.717620198e+01 5.426563175e+01 1.58 2.775891055e+01 4.428396049e+01 5.108749043e+01 1.60 2.574082725e+01 4.155245079e+01 4.809476350e+01 1.62 2.382816071e+01 3.896985620e+01 4.526732269e+01 1.64 2.200974931e+01 3.652748327e+01 4.258801062e+01 1.66 2.028367226e+01 3.422559860e+01 4.004603397e+01 1.68 1.864975192e+01 3.206397456e+01 3.763043871e+01 1.70 1.711007477e+01 3.003163859e+01 3.532784716e+01 1.72 1.566794655e+01 2.811205027e+01 3.312587601e+01 1.74 1.432432217e+01 2.628878647e+01 3.101495728e+01 1.76 1.307120459e+01 2.454624389e+01 2.900067644e+01 1.78 1.189841501e+01 2.287029476e+01 2.709479868e+01 1.80 1.079779721e+01 2.125750621e+01 2.530595304e+01 1.82 9.762453392e+00 1.971067264e+01 2.362670299e+01 1.84 8.785866302e+00 1.823627244e+01 2.204636542e+01 1.86 7.863258056e+00 1.683931487e+01 2.055430045e+01 1.88 6.990765231e+00 1.552288372e+01 1.914026937e+01 1.90 6.164621633e+00 1.428575559e+01 1.779729055e+01 1.92 5.381688854e+00 1.312071574e+01 1.652190558e+01 1.94 4.639324650e+00 1.202026407e+01 1.531262043e+01 1.96 3.935320484e+00 1.097817317e+01 1.416506763e+01 1.98 3.269902791e+00 9.989608929e+00 1.307371007e+01 2.00 2.644331282e+00 9.051020142e+00 1.203308264e+01 2.02 2.059693820e+00 8.161806087e+00 1.103778655e+01 2.04 1.514803921e+00 7.322167400e+00 1.008239368e+01 2.06 1.007379243e+00 6.531798467e+00 9.163314697e+00 2.08 5.372162562e-01 5.788296350e+00 8.283105271e+00 2.10 1.045807583e-01 5.088818811e+00 7.445659926e+00 2.12 -2.902691215e-01 4.430553855e+00 6.654853359e+00 2.14 -6.490899297e-01 3.810843866e+00 5.910493572e+00 2.16 -9.744942358e-01 3.226967083e+00 5.209896161e+00 2.18 -1.268737808e+00 2.676060746e+00 4.550342626e+00 2.20 -1.534423271e+00 2.156045298e+00 3.928602831e+00 2.22 -1.774952917e+00 1.665140748e+00 3.340726598e+00 2.24 -1.993755543e+00 1.201589686e+00 2.783009142e+00 2.26 -2.193776071e+00 7.636218839e-01 2.252742675e+00 2.28 -2.377429720e+00 3.493812703e-01 1.748080114e+00 2.30 -2.546707595e+00 -4.277443825e-02 1.267915782e+00 2.32 -2.702357337e+00 -4.133903324e-01 8.136369278e-01 2.34 -2.844827849e+00 -7.626816836e-01 3.872259422e-01 2.36 -2.974564044e+00 -1.090985348e+00 -9.266584384e-03 2.38 -3.092392698e+00 -1.399276817e+00 -3.750584544e-01 2.40 -3.199836072e+00 -1.688943311e+00 -7.119635607e-01 2.42 -3.298502165e+00 -1.958588506e+00 -1.022058966e+00 2.44 -3.389862569e+00 -2.205979024e+00 -1.307408121e+00 2.46 -3.474243363e+00 -2.428880862e+00 -1.570059697e+00 2.48 -3.549319320e+00 -2.625922879e+00 -1.812046317e+00 2.50 -3.612365058e+00 -2.798768692e+00 -2.035387108e+00 2.52 -3.660625794e+00 -2.949662961e+00 -2.241926898e+00 2.54 -3.692467366e+00 -3.080623695e+00 -2.432955041e+00 2.56 -3.709212096e+00 -3.193628726e+00 -2.609669130e+00 2.58 -3.712539364e+00 -3.290529990e+00 -2.773210040e+00 2.60 -3.703920933e+00 -3.372948131e+00 -2.924733069e+00 2.62 -3.684791374e+00 -3.442447047e+00 -3.065456626e+00 2.64 -3.656577457e+00 -3.500127602e+00 -3.196563579e+00 2.66 -3.620696764e+00 -3.546718682e+00 -3.317932503e+00 2.68 -3.578537625e+00 -3.583038239e+00 -3.427690705e+00 2.70 -3.531080655e+00 -3.610375858e+00 -3.523845432e+00 2.72 -3.478913127e+00 -3.630146650e+00 -3.604422668e+00 2.74 -3.422590644e+00 -3.643591930e+00 -3.668139130e+00 2.76 -3.362650123e+00 -3.651734441e+00 -3.715951325e+00 2.78 -3.299607316e+00 -3.655575327e+00 -3.749275609e+00 2.80 -3.233954103e+00 -3.656084888e+00 -3.769529398e+00 2.82 -3.166155536e+00 -3.653392066e+00 -3.778131139e+00 2.84 -3.096646596e+00 -3.646545993e+00 -3.776500274e+00 2.86 -3.025828595e+00 -3.634519026e+00 -3.766057171e+00 2.88 -2.954065151e+00 -3.616253433e+00 -3.748223045e+00 2.90 -2.881674192e+00 -3.590800085e+00 -3.724330924e+00 2.92 -2.808914416e+00 -3.558367704e+00 -3.695099697e+00 2.94 -2.736023740e+00 -3.519652172e+00 -3.660988895e+00 2.96 -2.663230695e+00 -3.475340084e+00 -3.622454601e+00 2.98 -2.590682430e+00 -3.426105639e+00 -3.579893305e+00 3.00 -2.518445677e+00 -3.372609220e+00 -3.533642741e+00 3.02 -2.446574666e+00 -3.315495874e+00 -3.484037282e+00 3.04 -2.375112842e+00 -3.255393636e+00 -3.431409870e+00 3.06 -2.304091617e+00 -3.192911643e+00 -3.376091399e+00 3.08 -2.233529128e+00 -3.128568643e+00 -3.318412007e+00 3.10 -2.163428998e+00 -3.062646617e+00 -3.258790720e+00 3.12 -2.093779058e+00 -2.995381608e+00 -3.197771032e+00 3.14 -2.024549942e+00 -2.927014206e+00 -3.135898573e+00 3.16 -1.955693439e+00 -2.857784477e+00 -3.073657104e+00 3.18 -1.887171885e+00 -2.787929768e+00 -3.011457120e+00 3.20 -1.819036867e+00 -2.717683829e+00 -2.949696112e+00 3.22 -1.751360331e+00 -2.647275801e+00 -2.888760656e+00 3.24 -1.684232566e+00 -2.576929050e+00 -2.828968961e+00 3.26 -1.617748675e+00 -2.506859848e+00 -2.770223753e+00 3.28 -1.552001851e+00 -2.437275903e+00 -2.712237848e+00 3.30 -1.487082630e+00 -2.368374719e+00 -2.654708449e+00 3.32 -1.423078012e+00 -2.300325603e+00 -2.597291388e+00 3.34 -1.360072395e+00 -2.233236136e+00 -2.539567164e+00 3.36 -1.298186757e+00 -2.167189249e+00 -2.481418733e+00 3.38 -1.237575475e+00 -2.102249898e+00 -2.423028843e+00 3.40 -1.178385731e+00 -2.038462896e+00 -2.364567029e+00 3.42 -1.120754079e+00 -1.975850698e+00 -2.306174275e+00 3.44 -1.064804450e+00 -1.914411147e+00 -2.247960796e+00 3.46 -1.010645954e+00 -1.854115178e+00 -2.190003849e+00 3.48 -9.583705252e-01 -1.794904439e+00 -2.132345500e+00 3.50 -9.080502853e-01 -1.736688762e+00 -2.074990235e+00 3.52 -8.597349677e-01 -1.679341891e+00 -2.017902202e+00 3.54 -8.134502103e-01 -1.622689902e+00 -1.961003548e+00 3.56 -7.692486609e-01 -1.566630860e+00 -1.904235893e+00 3.58 -7.272352646e-01 -1.511191488e+00 -1.847600721e+00 3.60 -6.875118645e-01 -1.456407905e+00 -1.791105885e+00 3.62 -6.501723034e-01 -1.402327082e+00 -1.734773781e+00 3.64 -6.152949283e-01 -1.348997816e+00 -1.678630225e+00 3.66 -5.829212173e-01 -1.296467947e+00 -1.622701254e+00 3.68 -5.530639451e-01 -1.244784138e+00 -1.567013125e+00 3.70 -5.256669031e-01 -1.193991608e+00 -1.511592332e+00 3.72 -5.007250893e-01 -1.144133831e+00 -1.456465630e+00 3.74 -4.792625307e-01 -1.095252242e+00 -1.401660034e+00 3.76 -4.602006788e-01 -1.047389594e+00 -1.347202848e+00 3.78 -4.406059770e-01 -1.000590898e+00 -1.293121676e+00 3.80 -4.194580388e-01 -9.548983829e-01 -1.239444455e+00 3.82 -3.978516950e-01 -9.103515481e-01 -1.186199449e+00 3.84 -3.772756236e-01 -8.670005045e-01 -1.133415316e+00 3.86 -3.580448518e-01 -8.248198157e-01 -1.081121096e+00 3.88 -3.401731686e-01 -7.837935243e-01 -1.029346244e+00 3.90 -3.235598155e-01 -7.439590626e-01 -9.781206950e-01 3.92 -3.079704584e-01 -7.053486682e-01 -9.274748984e-01 3.94 -2.932457422e-01 -6.679882307e-01 -8.774397459e-01 3.96 -2.790889762e-01 -6.318899629e-01 -8.280467629e-01 3.98 -2.651260723e-01 -5.969599811e-01 -7.793281806e-01 4.00 -2.511243268e-01 -5.630211583e-01 -7.313168200e-01 4.02 -2.376260657e-01 -5.298933418e-01 -6.840462188e-01 4.04 -2.252612482e-01 -4.974047246e-01 -6.375509387e-01 4.06 -2.134258685e-01 -4.653648318e-01 -5.918648253e-01 4.08 -2.007658023e-01 -4.335842357e-01 -5.470064137e-01 4.10 -1.865471732e-01 -4.017553031e-01 -5.029992784e-01 4.12 -1.704564926e-01 -3.704070742e-01 -4.598889828e-01 4.14 -1.524913921e-01 -3.400679257e-01 -4.176195266e-01 4.16 -1.329602135e-01 -3.099064695e-01 -3.763991280e-01 4.18 -1.130441151e-01 -2.798522401e-01 -3.371169061e-01 4.20 -9.369076862e-02 -2.502813033e-01 -2.994265074e-01 4.22 -7.550882691e-02 -2.198200221e-01 -2.607780495e-01 4.24 -5.885722684e-02 -1.878980872e-01 -2.227269367e-01 4.26 -4.391570858e-02 -1.537222144e-01 -1.875880277e-01 4.28 -3.073956738e-02 -1.174609256e-01 -1.516826986e-01 4.30 -1.930131944e-02 -8.148785162e-02 -1.121790500e-01 4.32 -9.521648625e-03 -4.796180649e-02 -6.956012476e-02 4.34 -1.291704819e-03 -1.876677247e-02 -2.845640978e-02 4.36 5.511450765e-03 5.372465400e-03 7.199435415e-03 4.38 1.101471413e-02 2.446969308e-02 3.601347870e-02 4.40 1.534281785e-02 3.890340529e-02 5.795125832e-02 4.42 1.861513473e-02 4.918105017e-02 7.357831596e-02 4.44 2.094451603e-02 5.573854509e-02 8.352580017e-02 4.46 2.243745139e-02 5.979373849e-02 8.966160378e-02 4.48 2.319499500e-02 6.184279144e-02 9.275636921e-02 4.50 2.331403993e-02 6.216890350e-02 9.325195873e-02 4.52 2.288864024e-02 6.103621476e-02 9.155420287e-02 4.54 2.201117868e-02 5.869647426e-02 8.804470972e-02 4.56 2.077325550e-02 5.539534800e-02 8.309302200e-02 4.58 1.926148228e-02 5.136395274e-02 7.704592911e-02 4.60 1.754550306e-02 4.678800815e-02 7.018201223e-02 4.62 1.569118867e-02 4.184316978e-02 6.276475467e-02 4.64 1.376440994e-02 3.670509319e-02 5.505763978e-02 4.66 1.183103772e-02 3.154943392e-02 4.732415088e-02 4.68 9.956942827e-03 2.655184754e-02 3.982777131e-02 4.70 8.207996099e-03 2.188798960e-02 3.283198439e-02 4.72 6.647744913e-03 1.772731977e-02 2.659097965e-02 4.74 5.298028361e-03 1.412807563e-02 2.119211344e-02 4.76 4.144610243e-03 1.105229398e-02 1.657844097e-02 4.78 3.172064943e-03 8.458839849e-03 1.268825977e-02 4.80 2.364966848e-03 6.306578262e-03 9.459867392e-03 4.82 1.707890342e-03 4.554374245e-03 6.831561367e-03 4.84 1.185409810e-03 3.161092826e-03 4.741639238e-03 4.86 7.820996363e-04 2.085599030e-03 3.128398545e-03 4.88 4.825342070e-04 1.286757885e-03 1.930136828e-03 4.90 2.712879067e-04 7.234344179e-04 1.085151627e-03 4.92 1.329351204e-04 3.544936544e-04 5.317404816e-04 4.94 5.205023307e-05 1.388006215e-04 2.082009323e-04 4.96 1.320762973e-05 3.522034595e-05 5.283051892e-05 4.98 9.816953807e-07 2.617854349e-06 3.926781523e-06 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 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