# 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 = AuPd3 # 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 3.960554112e+02 nan nan 1.16 3.650232845e+02 nan nan 1.18 3.364655120e+02 nan nan 1.20 3.101646859e+02 nan nan 1.22 2.859245654e+02 nan nan 1.24 2.635682755e+02 nan nan 1.26 2.429348973e+02 nan nan 1.28 2.238773339e+02 3.444855654e+02 3.938006762e+02 1.30 2.062627045e+02 3.196454520e+02 3.661031717e+02 1.32 1.899722821e+02 2.965990153e+02 3.403800881e+02 1.34 1.748991354e+02 2.752020443e+02 3.164775119e+02 1.36 1.609452939e+02 2.553234222e+02 2.942566943e+02 1.38 1.480206062e+02 2.368454742e+02 2.735901663e+02 1.40 1.360428608e+02 2.196633826e+02 2.543599319e+02 1.42 1.249375059e+02 2.036826670e+02 2.364571802e+02 1.44 1.146364414e+02 1.888159095e+02 2.197819720e+02 1.46 1.050766204e+02 1.749808402e+02 2.042424665e+02 1.48 9.619934839e+01 1.621000928e+02 1.897539039e+02 1.50 8.795042920e+01 1.501013872e+02 1.762378366e+02 1.52 8.028056346e+01 1.389174898e+02 1.636218819e+02 1.54 7.314540991e+01 1.284862099e+02 1.518396492e+02 1.56 6.651289174e+01 1.187505859e+02 1.408305301e+02 1.58 6.038418835e+01 1.096590142e+02 1.305394125e+02 1.60 5.475743076e+01 1.011649913e+02 1.209162334e+02 1.62 4.959211434e+01 9.322637113e+01 1.119151438e+02 1.64 4.485056801e+01 8.580444393e+01 1.034934901e+02 1.66 4.049818264e+01 7.886330289e+01 9.561114444e+01 1.68 3.650341083e+01 7.236961409e+01 8.823036652e+01 1.70 3.283760290e+01 6.629875032e+01 8.131589200e+01 1.72 2.947470606e+01 6.065045664e+01 7.483496545e+01 1.74 2.639092200e+01 5.542744340e+01 6.875891297e+01 1.76 2.356438742e+01 5.059796002e+01 6.307493306e+01 1.78 2.097489077e+01 4.613168930e+01 5.779774450e+01 1.80 1.860364047e+01 4.200097134e+01 5.290795231e+01 1.82 1.643312040e+01 3.818078383e+01 4.837886086e+01 1.84 1.444704302e+01 3.464858256e+01 4.418562753e+01 1.86 1.263035649e+01 3.138400829e+01 4.030469543e+01 1.88 1.096924458e+01 2.836849478e+01 3.671359049e+01 1.90 9.451090591e+00 2.558485767e+01 3.339101010e+01 1.92 8.064411591e+00 2.301696152e+01 3.031698500e+01 1.94 6.798777744e+00 2.064952284e+01 2.747296231e+01 1.96 5.644723797e+00 1.846804604e+01 2.484178924e+01 1.98 4.593653941e+00 1.645884234e+01 2.240764362e+01 2.00 3.637740125e+00 1.460906811e+01 2.015595488e+01 2.02 2.769815688e+00 1.290673900e+01 1.807333510e+01 2.04 1.983269877e+00 1.134071076e+01 1.614751848e+01 2.06 1.271952126e+00 9.900639985e+00 1.436729807e+01 2.08 6.300941423e-01 8.576940804e+00 1.272244968e+01 2.10 5.225320132e-02 7.360746094e+00 1.120363882e+01 2.12 -4.667235728e-01 6.243874275e+00 9.802310812e+00 2.14 -9.317141326e-01 5.218798131e+00 8.510570479e+00 2.16 -1.347315814e+00 4.278610748e+00 7.321064982e+00 2.18 -1.717823000e+00 3.416986033e+00 6.226887622e+00 2.20 -2.047198170e+00 2.628135173e+00 5.221513826e+00 2.22 -2.339049659e+00 1.906762569e+00 4.298767715e+00 2.24 -2.596626991e+00 1.248023954e+00 3.452808739e+00 2.26 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-3.690491763e+00 -3.783132577e+00 -3.589319397e+00 2.64 -3.640758913e+00 -3.825002268e+00 -3.680575772e+00 2.66 -3.587002465e+00 -3.857328612e+00 -3.756025542e+00 2.68 -3.529864363e+00 -3.880939372e+00 -3.816762789e+00 2.70 -3.469883368e+00 -3.895989603e+00 -3.863872047e+00 2.72 -3.407519701e+00 -3.902688014e+00 -3.898528675e+00 2.74 -3.343176748e+00 -3.901284817e+00 -3.922911081e+00 2.76 -3.277217392e+00 -3.892064258e+00 -3.937943726e+00 2.78 -3.209974475e+00 -3.875341080e+00 -3.944151940e+00 2.80 -3.141756120e+00 -3.851468708e+00 -3.942152425e+00 2.82 -3.072847458e+00 -3.820900094e+00 -3.932606086e+00 2.84 -3.003510570e+00 -3.784195048e+00 -3.916176467e+00 2.86 -2.933984016e+00 -3.741936179e+00 -3.893499467e+00 2.88 -2.864482553e+00 -3.694723300e+00 -3.865170142e+00 2.90 -2.795197001e+00 -3.643174595e+00 -3.831811849e+00 2.92 -2.726294040e+00 -3.587919896e+00 -3.794048242e+00 2.94 -2.657916012e+00 -3.529586048e+00 -3.752417404e+00 2.96 -2.590181081e+00 -3.468776785e+00 -3.707379750e+00 2.98 -2.523184245e+00 -3.406051609e+00 -3.659329360e+00 3.00 -2.456999391e+00 -3.341908647e+00 -3.608605156e+00 3.02 -2.391682321e+00 -3.276775047e+00 -3.555501642e+00 3.04 -2.327274391e+00 -3.211005750e+00 -3.500278588e+00 3.06 -2.263806345e+00 -3.144888988e+00 -3.443169130e+00 3.08 -2.201301967e+00 -3.078655454e+00 -3.384385997e+00 3.10 -2.139781256e+00 -3.012488332e+00 -3.324125908e+00 3.12 -2.079262936e+00 -2.946532361e+00 -3.262572478e+00 3.14 -2.019766180e+00 -2.880901355e+00 -3.199898106e+00 3.16 -1.961311474e+00 -2.815684339e+00 -3.136265317e+00 3.18 -1.903920673e+00 -2.750950736e+00 -3.071828006e+00 3.20 -1.847616348e+00 -2.686754922e+00 -3.006732914e+00 3.22 -1.792420621e+00 -2.623140289e+00 -2.941121524e+00 3.24 -1.738353730e+00 -2.560142806e+00 -2.875132455e+00 3.26 -1.685432582e+00 -2.497794039e+00 -2.808904233e+00 3.28 -1.633669488e+00 -2.436123579e+00 -2.742578150e+00 3.30 -1.583071268e+00 -2.375160890e+00 -2.676300731e+00 3.32 -1.533638791e+00 -2.314936560e+00 -2.610225208e+00 3.34 -1.485366972e+00 -2.255482994e+00 -2.544511408e+00 3.36 -1.438245182e+00 -2.196834586e+00 -2.479323644e+00 3.38 -1.392257967e+00 -2.139027417e+00 -2.414826558e+00 3.40 -1.347385968e+00 -2.082098583e+00 -2.351179417e+00 3.42 -1.303606881e+00 -2.026085255e+00 -2.288529759e+00 3.44 -1.260896361e+00 -1.971023576e+00 -2.227007541e+00 3.46 -1.219228730e+00 -1.916947538e+00 -2.166720829e+00 3.48 -1.178577449e+00 -1.863887907e+00 -2.107753617e+00 3.50 -1.138915329e+00 -1.811871285e+00 -2.050165812e+00 3.52 -1.100214487e+00 -1.760919338e+00 -1.993994927e+00 3.54 -1.062446128e+00 -1.711048207e+00 -1.939258762e+00 3.56 -1.025580232e+00 -1.662268109e+00 -1.885958411e+00 3.58 -9.895852450e-01 -1.614583089e+00 -1.834081081e+00 3.60 -9.544278847e-01 -1.567990935e+00 -1.783602538e+00 3.62 -9.200731509e-01 -1.522483222e+00 -1.734489149e+00 3.64 -8.864846316e-01 -1.478045484e+00 -1.686699653e+00 3.66 -8.536251673e-01 -1.434657517e+00 -1.640186779e+00 3.68 -8.214579188e-01 -1.392293803e+00 -1.594898815e+00 3.70 -7.899478511e-01 -1.350924077e+00 -1.550781152e+00 3.72 -7.590636016e-01 -1.310514016e+00 -1.507777840e+00 3.74 -7.287796465e-01 -1.271026055e+00 -1.465833098e+00 3.76 -6.990786052e-01 -1.232420295e+00 -1.424892764e+00 3.78 -6.699534439e-01 -1.194655487e+00 -1.384905629e+00 3.80 -6.414092618e-01 -1.157690036e+00 -1.345824605e+00 3.82 -6.134642975e-01 -1.121482989e+00 -1.307607670e+00 3.84 -5.861497978e-01 -1.085994961e+00 -1.270218532e+00 3.86 -5.595084793e-01 -1.051188994e+00 -1.233626986e+00 3.88 -5.335914930e-01 -1.017031316e+00 -1.197808928e+00 3.90 -5.084540483e-01 -9.834920372e-01 -1.162746049e+00 3.92 -4.841501312e-01 -9.505458094e-01 -1.128425245e+00 3.94 -4.607269775e-01 -9.181724729e-01 -1.094837803e+00 3.96 -4.382200564e-01 -8.863577226e-01 -1.061978440e+00 3.98 -4.166492794e-01 -8.550937928e-01 -1.029844290e+00 4.00 -3.960169203e-01 -8.243801115e-01 -9.984338881e-01 4.02 -3.763074389e-01 -7.942238396e-01 -9.677462470e-01 4.04 -3.574890812e-01 -7.646401590e-01 -9.377800411e-01 4.06 -3.395168842e-01 -7.356521548e-01 -9.085329390e-01 4.08 -3.223365763e-01 -7.072901410e-01 -8.800010862e-01 4.10 -3.058888461e-01 -6.795903244e-01 -8.521787324e-01 4.12 -2.901135144e-01 -6.525928039e-01 -8.250579885e-01 4.14 -2.749532530e-01 -6.263389821e-01 -7.986286909e-01 4.16 -2.603566103e-01 -6.008686474e-01 -7.728783518e-01 4.18 -2.462802035e-01 -5.762170084e-01 -7.477921716e-01 4.20 -2.326900162e-01 -5.524120357e-01 -7.233530956e-01 4.22 -2.195618088e-01 -5.294724067e-01 -6.995418976e-01 4.24 -2.068806959e-01 -5.074062509e-01 -6.763372790e-01 4.26 -1.946400204e-01 -4.862107505e-01 -6.537159762e-01 4.28 -1.828396892e-01 -4.658725174e-01 -6.316528710e-01 4.30 -1.714841948e-01 -4.463685654e-01 -6.101211051e-01 4.32 -1.605805596e-01 -4.276676542e-01 -5.890922009e-01 4.34 -1.501364304e-01 -4.097317895e-01 -5.685361960e-01 4.36 -1.401584998e-01 -3.925177127e-01 -5.484217997e-01 4.38 -1.306513565e-01 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-1.861833378e-03 -2.787244465e-03 5.46 -1.844857663e-04 -1.603557303e-03 -2.400593354e-03 5.48 -1.587910256e-04 -1.381247559e-03 -2.067783915e-03 5.50 -1.367436747e-04 -1.189949186e-03 -1.781399283e-03 5.52 -1.178182758e-04 -1.025365115e-03 -1.535007102e-03 5.54 -1.015656965e-04 -8.837764543e-04 -1.323039862e-03 5.56 -8.760206122e-05 -7.619703142e-04 -1.140688868e-03 5.58 -7.559926664e-05 -6.571750453e-04 -9.838043491e-04 5.60 -6.527685349e-05 -5.670025769e-04 -8.488112531e-04 5.62 -5.639504966e-05 -4.893974127e-04 -7.326323736e-04 5.64 -4.874882243e-05 -4.225917606e-04 -6.326211954e-04 5.66 -4.216279734e-05 -3.650662466e-04 -5.465030903e-04 5.68 -3.648692036e-05 -3.155156522e-04 -4.723240316e-04 5.70 -3.159275634e-05 -2.728191357e-04 -4.084060159e-04 5.72 -2.737033138e-05 -2.360144211e-04 -3.533084263e-04 5.74 -2.372543980e-05 -2.042754829e-04 -3.057946251e-04 5.76 -2.057734756e-05 -1.768932895e-04 -2.648031260e-04 5.78 -1.785683364e-05 -1.532592148e-04 -2.294227605e-04 5.80 -1.550451976e-05 -1.328507685e-04 -1.988713145e-04 5.82 -1.346944557e-05 -1.152193341e-04 -1.724771713e-04 5.84 -1.170785306e-05 -9.997964230e-05 -1.496635518e-04 5.86 -1.018214918e-05 -8.680074037e-05 -1.299349951e-04 5.88 -8.860020353e-06 -7.539824982e-05 -1.128657665e-04 5.90 -7.713676214e-06 -6.552773054e-05 -9.808992357e-05 5.92 -6.719203658e-06 -5.697899568e-05 -8.529280419e-05 5.94 -5.856014756e-06 -4.957124141e-05 -7.420373568e-05 5.96 -5.106374746e-06 -4.314887546e-05 -6.458978929e-05 5.98 -4.454998302e-06 -3.757794404e-05 -5.625043096e-05 6.00 -3.888704041e-06 -3.274307111e-05 -4.901293904e-05