# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Dickel-D-E-Baskes-M-I-Aslam-I-Barrett-C-D--Mg-Al-Zn # implementation = 2018--Dickel-D-E--Mg-Al-Zn--LAMMPS--ipr1 # composition = AlMg3 # 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 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 1.581129604e+02 nan nan 1.06 1.469296569e+02 nan nan 1.08 1.366459337e+02 nan nan 1.10 1.271804791e+02 nan nan 1.12 1.184383619e+02 1.611339497e+02 nan 1.14 1.101125211e+02 1.502618271e+02 nan 1.16 1.021764285e+02 1.401475163e+02 1.596160609e+02 1.18 9.467615837e+01 1.307512677e+02 1.495573225e+02 1.20 8.763554536e+01 1.220309991e+02 1.402084911e+02 1.22 8.106712101e+01 1.139437706e+02 1.315133584e+02 1.24 7.500207890e+01 1.064468160e+02 1.234207358e+02 1.26 6.942193457e+01 9.944024460e+01 1.157967873e+02 1.28 6.429366731e+01 9.278190383e+01 1.084460181e+02 1.30 5.958202236e+01 8.649192278e+01 1.014080325e+02 1.32 5.525152964e+01 8.059037043e+01 9.471432741e+01 1.34 5.126784026e+01 7.507217151e+01 8.838254678e+01 1.36 4.759856797e+01 6.992535551e+01 8.241966060e+01 1.38 4.421376851e+01 6.513379414e+01 7.682453973e+01 1.40 4.108616072e+01 6.067879045e+01 7.159002955e+01 1.42 3.819116726e+01 5.654026572e+01 6.670461102e+01 1.44 3.550683372e+01 5.269763263e+01 6.215372294e+01 1.46 3.301367031e+01 4.913042304e+01 5.792080618e+01 1.48 3.069443325e+01 4.581868481e+01 5.398805646e+01 1.50 2.853705150e+01 4.275167936e+01 5.034966113e+01 1.52 2.653279551e+01 3.992379442e+01 4.700587175e+01 1.54 2.466801831e+01 3.731321694e+01 4.393121899e+01 1.56 2.293037575e+01 3.489912138e+01 4.110049291e+01 1.58 2.130887508e+01 3.266230839e+01 3.848988623e+01 1.60 1.979374750e+01 3.058529085e+01 3.607729210e+01 1.62 1.837631858e+01 2.865229864e+01 3.384246228e+01 1.64 1.704888241e+01 2.684922687e+01 3.176706156e+01 1.66 1.580458296e+01 2.516354576e+01 2.983464709e+01 1.68 1.463730521e+01 2.358418687e+01 2.803059503e+01 1.70 1.354157692e+01 2.210141615e+01 2.634199182e+01 1.72 1.251248131e+01 2.070670198e+01 2.475750352e+01 1.74 1.154558077e+01 1.939258382e+01 2.326723354e+01 1.76 1.063685066e+01 1.815254563e+01 2.186257634e+01 1.78 9.782622604e+00 1.698089662e+01 2.053607277e+01 1.80 8.979536371e+00 1.587266114e+01 1.928127108e+01 1.82 8.224499244e+00 1.482347896e+01 1.809259615e+01 1.84 7.514651786e+00 1.382951561e+01 1.696522874e+01 1.86 6.847339649e+00 1.288738304e+01 1.589499569e+01 1.88 6.220090680e+00 1.199407011e+01 1.487827136e+01 1.90 5.630595737e+00 1.114688237e+01 1.391188993e+01 1.92 5.076692867e+00 1.034339045e+01 1.299306883e+01 1.94 4.556354353e+00 9.581386271e+00 1.211934239e+01 1.96 4.067676052e+00 8.858846202e+00 1.128850509e+01 1.98 3.608868589e+00 8.173900503e+00 1.049856338e+01 2.00 3.178250057e+00 7.524808151e+00 9.747695432e+00 2.02 2.774239852e+00 6.909936399e+00 9.034217759e+00 2.04 2.395353437e+00 6.327744344e+00 8.356557987e+00 2.06 2.040197784e+00 5.776769751e+00 7.713232991e+00 2.08 1.707467323e+00 5.255619107e+00 7.102831576e+00 2.10 1.395940279e+00 4.762960001e+00 6.524001089e+00 2.12 1.104475256e+00 4.297515329e+00 5.975437316e+00 2.14 8.320080021e-01 3.858059031e+00 5.455877113e+00 2.16 5.775475919e-01 3.443413011e+00 4.964093253e+00 2.18 3.401657193e-01 3.052442742e+00 4.498891083e+00 2.20 1.189860375e-01 2.684051226e+00 4.059106583e+00 2.22 -8.681911483e-02 2.337177747e+00 3.643605522e+00 2.24 -2.780321020e-01 2.010798183e+00 3.251283419e+00 2.26 -4.554004168e-01 1.703925484e+00 2.881066092e+00 2.28 -6.196439566e-01 1.415610208e+00 2.531910583e+00 2.30 -7.714556617e-01 1.144939899e+00 2.202806319e+00 2.32 -9.115017396e-01 8.910360689e-01 1.892776365e+00 2.34 -1.040421917e+00 6.530535029e-01 1.600878686e+00 2.36 -1.158829725e+00 4.301806678e-01 1.326207320e+00 2.38 -1.267312827e+00 2.216400532e-01 1.067893429e+00 2.40 -1.366433392e+00 2.668840764e-02 8.251061659e-01 2.42 -1.456728516e+00 -1.553831547e-01 5.970533400e-01 2.44 -1.538710691e+00 -3.252491798e-01 3.829818667e-01 2.46 -1.612868316e+00 -4.835500444e-01 1.821779903e-01 2.48 -1.679666252e+00 -6.308922635e-01 -6.032717301e-03 2.50 -1.739546419e+00 -7.678492855e-01 -1.822860974e-01 2.52 -1.792928416e+00 -8.949654013e-01 -3.471848355e-01 2.54 -1.840210179e+00 -1.012759145e+00 -5.013031373e-01 2.56 -1.881768667e+00 -1.121723751e+00 -6.451870065e-01 2.58 -1.917960555e+00 -1.222327473e+00 -7.793543279e-01 2.60 -1.949122953e+00 -1.315014019e+00 -9.042951345e-01 2.62 -1.975574131e+00 -1.400203083e+00 -1.020472036e+00 2.64 -1.997614321e+00 -1.478291130e+00 -1.128321038e+00 2.66 -2.015527253e+00 -1.549654242e+00 -1.228255462e+00 2.68 -2.029581807e+00 -1.614651289e+00 -1.320670371e+00 2.70 -2.040032803e+00 -1.673624884e+00 -1.405943680e+00 2.72 -2.047121664e+00 -1.726902053e+00 -1.484436847e+00 2.74 -2.051077052e+00 -1.774794880e+00 -1.556495541e+00 2.76 -2.052115471e+00 -1.817601124e+00 -1.622450281e+00 2.78 -2.050441853e+00 -1.855604816e+00 -1.682617051e+00 2.80 -2.046250102e+00 -1.889076829e+00 -1.737297886e+00 2.82 -2.039723633e+00 -1.918275432e+00 -1.786781450e+00 2.84 -2.031035869e+00 -1.943446818e+00 -1.831343573e+00 2.86 -2.020350729e+00 -1.964825611e+00 -1.871247778e+00 2.88 -2.007823085e+00 -1.982635357e+00 -1.906745789e+00 2.90 -1.993599204e+00 -1.997088997e+00 -1.938078013e+00 2.92 -1.977817167e+00 -2.008389311e+00 -1.965474003e+00 2.94 -1.960607274e+00 -2.016729359e+00 -1.989152912e+00 2.96 -1.942092418e+00 -2.022292896e+00 -2.009323918e+00 2.98 -1.922388460e+00 -2.025254768e+00 -2.026186638e+00 3.00 -1.901604571e+00 -2.025781302e+00 -2.039931527e+00 3.02 -1.879843568e+00 -2.024030673e+00 -2.050740257e+00 3.04 -1.857202231e+00 -2.020153257e+00 -2.058786087e+00 3.06 -1.833771603e+00 -2.014291972e+00 -2.064234209e+00 3.08 -1.809637281e+00 -2.006582606e+00 -2.067242093e+00 3.10 -1.784879694e+00 -1.997154128e+00 -2.067959806e+00 3.12 -1.759574359e+00 -1.986128988e+00 -2.066530327e+00 3.14 -1.733792136e+00 -1.973623407e+00 -2.063089847e+00 3.16 -1.707599468e+00 -1.959747656e+00 -2.057768052e+00 3.18 -1.681058602e+00 -1.944606313e+00 -2.050688406e+00 3.20 -1.654227814e+00 -1.928298529e+00 -2.041968410e+00 3.22 -1.627161607e+00 -1.910918260e+00 -2.031719862e+00 3.24 -1.599910917e+00 -1.892554511e+00 -2.020049094e+00 3.26 -1.572523292e+00 -1.873291553e+00 -2.007057216e+00 3.28 -1.545043083e+00 -1.853209141e+00 -1.992840334e+00 3.30 -1.517513070e+00 -1.832382722e+00 -1.977489768e+00 3.32 -1.489977340e+00 -1.810883628e+00 -1.961092262e+00 3.34 -1.462458613e+00 -1.788779267e+00 -1.943730180e+00 3.36 -1.434992983e+00 -1.766133305e+00 -1.925481697e+00 3.38 -1.407614071e+00 -1.743005838e+00 -1.906420986e+00 3.40 -1.380350286e+00 -1.719453560e+00 -1.886618390e+00 3.42 -1.353228014e+00 -1.695529922e+00 -1.866140591e+00 3.44 -1.326276152e+00 -1.671285282e+00 -1.845050775e+00 3.46 -1.299523561e+00 -1.646767052e+00 -1.823408784e+00 3.48 -1.272963566e+00 -1.622019841e+00 -1.801271268e+00 3.50 -1.246628963e+00 -1.597085584e+00 -1.778691822e+00 3.52 -1.220538322e+00 -1.572003673e+00 -1.755721132e+00 3.54 -1.194707168e+00 -1.546811077e+00 -1.732407098e+00 3.56 -1.169149581e+00 -1.521542461e+00 -1.708794965e+00 3.58 -1.143878277e+00 -1.496230299e+00 -1.684927439e+00 3.60 -1.118904694e+00 -1.470904979e+00 -1.660844809e+00 3.62 -1.094239063e+00 -1.445594905e+00 -1.636585054e+00 3.64 -1.069890486e+00 -1.420326599e+00 -1.612183949e+00 3.66 -1.045866996e+00 -1.395124791e+00 -1.587675168e+00 3.68 -1.022175631e+00 -1.370012509e+00 -1.563090381e+00 3.70 -9.988224914e-01 -1.345011163e+00 -1.538459348e+00 3.72 -9.758127991e-01 -1.320140634e+00 -1.513810011e+00 3.74 -9.531509535e-01 -1.295419345e+00 -1.489168573e+00 3.76 -9.308405842e-01 -1.270864340e+00 -1.464559589e+00 3.78 -9.088846011e-01 -1.246491350e+00 -1.440006036e+00 3.80 -8.872852416e-01 -1.222314867e+00 -1.415529397e+00 3.82 -8.660441154e-01 -1.198348206e+00 -1.391149726e+00 3.84 -8.451622475e-01 -1.174603568e+00 -1.366885721e+00 3.86 -8.246401181e-01 -1.151092100e+00 -1.342754789e+00 3.88 -8.044777005e-01 -1.127823948e+00 -1.318773109e+00 3.90 -7.846744978e-01 -1.104808317e+00 -1.294955694e+00 3.92 -7.652295763e-01 -1.082053516e+00 -1.271316446e+00 3.94 -7.461415983e-01 -1.059567014e+00 -1.247868217e+00 3.96 -7.274088524e-01 -1.037355481e+00 -1.224622855e+00 3.98 -7.090292821e-01 -1.015424834e+00 -1.201591260e+00 4.00 -6.910005135e-01 -9.937802825e-01 -1.178783430e+00 4.02 -6.733198805e-01 -9.724263670e-01 -1.156208509e+00 4.04 -6.559844493e-01 -9.513669971e-01 -1.133874830e+00 4.06 -6.389910415e-01 -9.306054893e-01 -1.111789957e+00 4.08 -6.223362552e-01 -9.101446021e-01 -1.089960728e+00 4.10 -6.060164857e-01 -8.899865690e-01 -1.068393291e+00 4.12 -5.900279445e-01 -8.701331309e-01 -1.047093142e+00 4.14 -5.743666773e-01 -8.505855658e-01 -1.026065162e+00 4.16 -5.590285814e-01 -8.313447180e-01 -1.005313647e+00 4.18 -5.440094210e-01 -8.124110254e-01 -9.848432431e-01 4.20 -5.293048428e-01 -7.937845456e-01 -9.647829724e-01 4.22 -5.149103897e-01 -7.754649806e-01 -9.457393577e-01 4.24 -5.008215144e-01 -7.574517007e-01 -9.276399417e-01 4.26 -4.870335915e-01 -7.397437664e-01 -9.083347490e-01 4.28 -4.735419295e-01 -7.223399500e-01 -8.892704944e-01 4.30 -4.603417813e-01 -7.052387559e-01 -8.704990718e-01 4.32 -4.474283548e-01 -6.884384395e-01 -8.520211766e-01 4.34 -4.347968223e-01 -6.719370255e-01 -8.338371624e-01 4.36 -4.224423293e-01 -6.557323253e-01 -8.159470622e-01 4.38 -4.103600031e-01 -6.398219534e-01 -7.983506084e-01 4.40 -3.985449606e-01 -6.242033428e-01 -7.810472518e-01 4.42 -3.869923152e-01 -6.088737596e-01 -7.640361801e-01 4.44 -3.756971838e-01 -5.938303173e-01 -7.473163350e-01 4.46 -3.646546932e-01 -5.790699900e-01 -7.308864288e-01 4.48 -3.538599857e-01 -5.645896244e-01 -7.147449600e-01 4.50 -3.433082244e-01 -5.503859525e-01 -6.988902284e-01 4.52 -3.329945988e-01 -5.364556018e-01 -6.833203491e-01 4.54 -3.229143286e-01 -5.227951068e-01 -6.680332662e-01 4.56 -3.130626685e-01 -5.094009185e-01 -6.530267653e-01 4.58 -3.034349122e-01 -4.962694140e-01 -6.382984862e-01 4.60 -2.940263955e-01 -4.833969054e-01 -6.238459338e-01 4.62 -2.848325002e-01 -4.707796483e-01 -6.096664897e-01 4.64 -2.758486568e-01 -4.584138497e-01 -5.957574221e-01 4.66 -2.670703472e-01 -4.462956756e-01 -5.821158961e-01 4.68 -2.584931075e-01 -4.344212579e-01 -5.687389828e-01 4.70 -2.501125302e-01 -4.227867012e-01 -5.556236681e-01 4.72 -2.419242660e-01 -4.113880892e-01 -5.427668614e-01 4.74 -2.339240261e-01 -4.002214903e-01 -5.301654033e-01 4.76 -2.261075834e-01 -3.892829632e-01 -5.178160732e-01 4.78 -2.184707744e-01 -3.785685624e-01 -5.057155963e-01 4.80 -2.110095002e-01 -3.680743430e-01 -4.938606507e-01 4.82 -2.037198954e-01 -3.577963652e-01 -4.822478732e-01 4.84 -1.974801407e-01 -3.477306985e-01 -4.708738657e-01 4.86 -2.004823771e-01 -3.378734261e-01 -4.597352006e-01 4.88 -2.257734770e-01 -3.282206485e-01 -4.488284264e-01 4.90 -2.451624815e-01 -3.187684873e-01 -4.381500723e-01 4.92 -2.398339419e-01 -3.095130879e-01 -4.276966536e-01 4.94 -2.346258394e-01 -3.004506236e-01 -4.174646752e-01 4.96 -2.295353002e-01 -2.915772975e-01 -4.074506366e-01 4.98 -2.245594995e-01 -2.828893462e-01 -3.976510355e-01 5.00 -2.196956633e-01 -2.743830415e-01 -3.880623713e-01 5.02 -2.149410688e-01 -2.660546934e-01 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