# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Zhou-X-W-Ward-D-K-Foster-M-E--Al-Cu-H # implementation = 2018--Zhou-X-W--Al-Cu-H--LAMMPS--ipr1 # composition = AlCu3 # 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 2.00 -1.989430589e+00 -3.529086345e-01 4.471862891e-01 2.02 -2.126857028e+00 -5.904053739e-01 1.691981306e-01 2.04 -2.253317799e+00 -8.132722357e-01 -9.159109042e-02 2.06 -2.369127848e+00 -1.022603715e+00 -3.362572768e-01 2.08 -2.474547375e+00 -1.219260100e+00 -5.658334087e-01 2.10 -2.569815669e+00 -1.404094663e+00 -7.812568671e-01 2.12 -2.655129830e+00 -1.577725072e+00 -9.831830284e-01 2.14 -2.730946452e+00 -1.740448332e+00 -1.172478593e+00 2.16 -2.797656586e+00 -1.892581411e+00 -1.349546440e+00 2.18 -2.855707591e+00 -2.034468171e+00 -1.514665885e+00 2.20 -2.905535910e+00 -2.166477866e+00 -1.668531899e+00 2.22 -2.947419812e+00 -2.288995436e+00 -1.811597367e+00 2.24 -2.981816972e+00 -2.402405265e+00 -1.944490165e+00 2.26 -3.008898766e+00 -2.507072876e+00 -2.067961754e+00 2.28 -3.028842526e+00 -2.603328552e+00 -2.182780031e+00 2.30 -3.041846691e+00 -2.691348485e+00 -2.289511097e+00 2.32 -3.048134020e+00 -2.771509037e+00 -2.388810686e+00 2.34 -3.047951759e+00 -2.844057496e+00 -2.481118304e+00 2.36 -3.041568481e+00 -2.909133036e+00 -2.566608943e+00 2.38 -3.029268520e+00 -2.966879409e+00 -2.645439947e+00 2.40 -3.011346403e+00 -3.017451931e+00 -2.717753219e+00 2.42 -2.988101910e+00 -3.061023502e+00 -2.783678319e+00 2.44 -2.959767112e+00 -3.097789071e+00 -2.843337207e+00 2.46 -2.926747707e+00 -3.127967306e+00 -2.896849928e+00 2.48 -2.889362368e+00 -3.151798567e+00 -2.944339918e+00 2.50 -2.847919259e+00 -3.169539698e+00 -2.985938639e+00 2.52 -2.802750410e+00 -3.181456579e+00 -3.021788547e+00 2.54 -2.754212234e+00 -3.187815513e+00 -3.052043177e+00 2.56 -2.702684886e+00 -3.188875304e+00 -3.076865242e+00 2.58 -2.648570029e+00 -3.184823241e+00 -3.096422080e+00 2.60 -2.592286614e+00 -3.175922805e+00 -3.110880334e+00 2.62 -2.534264319e+00 -3.162478818e+00 -3.120397353e+00 2.64 -2.474934381e+00 -3.144669768e+00 -3.125130805e+00 2.66 -2.414717757e+00 -3.122676637e+00 -3.125140321e+00 2.68 -2.354010925e+00 -3.096682398e+00 -3.120652432e+00 2.70 -2.293169995e+00 -3.066871569e+00 -3.111766255e+00 2.72 -2.232494368e+00 -3.033429386e+00 -3.098568690e+00 2.74 -2.172211579e+00 -2.996540664e+00 -3.081145331e+00 2.76 -2.112465363e+00 -2.956388567e+00 -3.059582775e+00 2.78 -2.053308961e+00 -2.913152937e+00 -3.033970988e+00 2.80 -1.994705363e+00 -2.867008589e+00 -3.004405570e+00 2.82 -1.936535401e+00 -2.818123399e+00 -2.970989564e+00 2.84 -1.878613393e+00 -2.766656478e+00 -2.933834616e+00 2.86 -1.820708844e+00 -2.712756575e+00 -2.893061203e+00 2.88 -1.762571526e+00 -2.656560889e+00 -2.848798057e+00 2.90 -1.703956614e+00 -2.598194646e+00 -2.801180924e+00 2.92 -1.644646645e+00 -2.537771545e+00 -2.750350950e+00 2.94 -1.584467657e+00 -2.475395394e+00 -2.696453079e+00 2.96 -1.523298194e+00 -2.411162952e+00 -2.639634701e+00 2.98 -1.461071247e+00 -2.345168041e+00 -2.580013003e+00 3.00 -1.397770484e+00 -2.277506624e+00 -2.517765998e+00 3.02 -1.333422983e+00 -2.208282556e+00 -2.453078963e+00 3.04 -1.268088632e+00 -2.137613403e+00 -2.386102905e+00 3.06 -1.201815239e+00 -2.065635633e+00 -2.316999094e+00 3.08 -1.134739740e+00 -1.992508381e+00 -2.245940162e+00 3.10 -1.067055146e+00 -1.918415109e+00 -2.173111218e+00 3.12 -9.989087702e-01 -1.843562561e+00 -2.098710787e+00 3.14 -9.304783597e-01 -1.768176855e+00 -2.022951636e+00 3.16 -8.619771199e-01 -1.692496858e+00 -1.946061269e+00 3.18 -7.936583409e-01 -1.616765637e+00 -1.868282009e+00 3.20 -7.258192601e-01 -1.541221350e+00 -1.789870611e+00 3.22 -6.588034863e-01 -1.466087649e+00 -1.711097138e+00 3.24 -5.930013143e-01 -1.391564862e+00 -1.632242970e+00 3.26 -5.288471788e-01 -1.317822988e+00 -1.553597861e+00 3.28 -4.668134446e-01 -1.245081140e+00 -1.475455776e+00 3.30 -4.073999886e-01 -1.173500196e+00 -1.398109560e+00 3.32 -3.511192803e-01 -1.103245644e+00 -1.321844325e+00 3.34 -2.984773393e-01 -1.034495407e+00 -1.246929786e+00 3.36 -2.499518471e-01 -9.674428485e-01 -1.173611802e+00 3.38 -2.059697494e-01 -9.022929161e-01 -1.102103721e+00 3.40 -1.668873395e-01 -8.392512439e-01 -1.032578282e+00 3.42 -1.329738558e-01 -7.785051197e-01 -9.651609500e-01 3.44 -1.043908474e-01 -7.202106097e-01 -8.999258991e-01 3.46 -8.114201589e-02 -6.644523241e-01 -8.368954793e-01 3.48 -6.296499218e-02 -6.113259968e-01 -7.760440621e-01 3.50 -4.920984468e-02 -5.608065829e-01 -7.173064879e-01 3.52 -3.817889958e-02 -5.128156829e-01 -6.605908613e-01 3.54 -3.083692272e-02 -4.672327779e-01 -6.057947272e-01 3.56 -2.431412541e-02 -4.239120004e-01 -5.528231000e-01 3.58 -1.865856295e-02 -3.827024448e-01 -5.016063393e-01 3.60 -1.385759909e-02 -3.434692535e-01 -4.521159107e-01 3.62 -9.829091532e-03 -3.061123542e-01 -4.043761263e-01 3.64 -6.492461268e-03 -2.705801665e-01 -3.584704693e-01 3.66 -3.802319712e-03 -2.368764592e-01 -3.145416570e-01 3.68 -1.799065957e-03 -2.050596883e-01 -2.727852545e-01 3.70 -5.750968099e-04 -1.752351513e-01 -2.334371749e-01 3.72 2.306448191e-05 -1.475104396e-01 -1.967306963e-01 3.74 0.000000000e+00 -1.221166965e-01 -1.629812320e-01 3.76 0.000000000e+00 -9.904542931e-02 -1.322840001e-01 3.78 0.000000000e+00 -7.850039334e-02 -1.049307169e-01 3.80 0.000000000e+00 -6.056115224e-02 -8.103694396e-02 3.82 0.000000000e+00 -4.523137567e-02 -6.061763506e-02 3.84 0.000000000e+00 -3.242867439e-02 -4.357334892e-02 3.86 0.000000000e+00 -2.198226259e-02 -2.968484050e-02 3.88 0.000000000e+00 -1.365536770e-02 -1.863174542e-02 3.90 0.000000000e+00 -7.249907027e-03 -1.009899031e-02 3.92 0.000000000e+00 -2.834877127e-03 -4.078746364e-03 3.94 0.000000000e+00 1.404637249e-04 2.106955873e-04 3.96 0.000000000e+00 2.896654126e-05 4.344981189e-05 3.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00