# 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 = AgAu3 # 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 4.540058007e+02 nan nan 0.84 4.191158187e+02 nan nan 0.86 3.875069255e+02 nan nan 0.88 3.587463645e+02 nan nan 0.90 3.325410710e+02 4.452618139e+02 nan 0.92 3.086335145e+02 4.138428818e+02 4.550304994e+02 0.94 2.866950853e+02 3.851042499e+02 4.237025095e+02 0.96 2.664716712e+02 3.588130539e+02 3.950552659e+02 0.98 2.478438831e+02 3.347273847e+02 3.687054125e+02 1.00 2.306395565e+02 3.126280463e+02 3.443908656e+02 1.02 2.147173988e+02 2.922443201e+02 3.219140691e+02 1.04 1.999955384e+02 2.732675865e+02 3.011049738e+02 1.06 1.864010390e+02 2.555379536e+02 2.818053474e+02 1.08 1.738730271e+02 2.390347052e+02 2.639035989e+02 1.10 1.622850463e+02 2.237556374e+02 2.473111918e+02 1.12 1.515258248e+02 2.096109415e+02 2.319330803e+02 1.14 1.415339754e+02 1.965025066e+02 2.176875380e+02 1.16 1.322464804e+02 1.843566259e+02 2.044807235e+02 1.18 1.236009114e+02 1.730651002e+02 1.921985631e+02 1.20 1.155802871e+02 1.625325740e+02 1.807473727e+02 1.22 1.081462842e+02 1.526718060e+02 1.700784111e+02 1.24 1.012151438e+02 1.434394410e+02 1.601354079e+02 1.26 9.471187860e+01 1.347934573e+02 1.508222169e+02 1.28 8.861199085e+01 1.266899355e+02 1.420471111e+02 1.30 8.291754824e+01 1.191059492e+02 1.337782961e+02 1.32 7.760494182e+01 1.119926944e+02 1.260141858e+02 1.34 7.263983036e+01 1.052884809e+02 1.187252957e+02 1.36 6.799185035e+01 9.897404226e+01 1.118891670e+02 1.38 6.364535117e+01 9.306085232e+01 1.054838503e+02 1.40 5.958932028e+01 8.753939480e+01 9.946108143e+01 1.42 5.580476128e+01 8.237626102e+01 9.378817876e+01 1.44 5.226258823e+01 7.754482702e+01 8.843631581e+01 1.46 4.892884576e+01 7.301949209e+01 8.336798962e+01 1.48 4.577181758e+01 6.876566041e+01 7.857470043e+01 1.50 4.277432041e+01 6.475147660e+01 7.405933819e+01 1.52 3.993265064e+01 6.094769907e+01 6.980665383e+01 1.54 3.724856704e+01 5.733271363e+01 6.579096964e+01 1.56 3.471918665e+01 5.390469775e+01 6.200396441e+01 1.58 3.233521652e+01 5.066730739e+01 5.843950723e+01 1.60 3.008309570e+01 4.761252583e+01 5.508118681e+01 1.62 2.794524523e+01 4.472304437e+01 5.190696813e+01 1.64 2.591012000e+01 4.199383651e+01 4.889850404e+01 1.66 2.397692389e+01 3.942692702e+01 4.604150291e+01 1.68 2.214666818e+01 3.702344947e+01 4.332744424e+01 1.70 2.042181797e+01 3.477115482e+01 4.074439220e+01 1.72 1.880552919e+01 3.265036870e+01 3.827911373e+01 1.74 1.729854448e+01 3.064142047e+01 3.592071870e+01 1.76 1.589255990e+01 2.872498072e+01 3.367351670e+01 1.78 1.457707567e+01 2.688338683e+01 3.154778968e+01 1.80 1.334351808e+01 2.511073177e+01 2.955150389e+01 1.82 1.218452097e+01 2.340805564e+01 2.767770912e+01 1.84 1.109294456e+01 2.178075893e+01 2.591551735e+01 1.86 1.006298338e+01 2.023361802e+01 2.425335251e+01 1.88 9.089445776e+00 1.876949846e+01 2.268004919e+01 1.90 8.167263569e+00 1.738711141e+01 2.118829623e+01 1.92 7.292210111e+00 1.607986769e+01 1.977455045e+01 1.94 6.460733235e+00 1.484091009e+01 1.843657485e+01 1.96 5.670183714e+00 1.366411930e+01 1.716848391e+01 1.98 4.920685078e+00 1.254468600e+01 1.596295482e+01 2.00 4.213406140e+00 1.147922715e+01 1.481271255e+01 2.02 3.549529031e+00 1.046772344e+01 1.371068412e+01 2.04 2.927874674e+00 9.511028407e+00 1.265080401e+01 2.06 2.346128500e+00 8.609332475e+00 1.162931408e+01 2.08 1.804101685e+00 7.760248185e+00 1.064893067e+01 2.10 1.302079654e+00 6.960781429e+00 9.713674088e+00 2.12 8.401409579e-01 6.207968411e+00 8.827144882e+00 2.14 4.162344950e-01 5.498855489e+00 7.988639425e+00 2.16 2.745708044e-02 4.830158490e+00 7.194960284e+00 2.18 -3.287257392e-01 4.198410599e+00 6.442889214e+00 2.20 -6.549274358e-01 3.601119385e+00 5.729219584e+00 2.22 -9.541604346e-01 3.036206628e+00 5.050758308e+00 2.24 -1.229521339e+00 2.501603584e+00 4.404335468e+00 2.26 -1.483848184e+00 1.995247502e+00 3.787297095e+00 2.28 -1.719574066e+00 1.515076137e+00 3.197810273e+00 2.30 -1.938757742e+00 1.059337983e+00 2.634859155e+00 2.32 -2.141982759e+00 6.274274596e-01 2.100429418e+00 2.34 -2.329420659e+00 2.189655048e-01 1.597332677e+00 2.36 -2.501238698e+00 -1.664277545e-01 1.128374311e+00 2.38 -2.658078057e+00 -5.297190942e-01 6.947206743e-01 2.40 -2.801594461e+00 -8.722704378e-01 2.942863886e-01 2.42 -2.933577903e+00 -1.192510516e+00 -7.541462500e-02 2.44 -3.055806420e+00 -1.488178349e+00 -4.168572747e-01 2.46 -3.169037116e+00 -1.757012282e+00 -7.325043150e-01 2.48 -3.271417755e+00 -1.997611941e+00 -1.024805280e+00 2.50 -3.360681023e+00 -2.211609991e+00 -1.296194921e+00 2.52 -3.434464552e+00 -2.401225107e+00 -1.548842481e+00 2.54 -3.491200349e+00 -2.568485919e+00 -1.784166060e+00 2.56 -3.531883866e+00 -2.715395484e+00 -2.003431796e+00 2.58 -3.558010162e+00 -2.843955380e+00 -2.207899190e+00 2.60 -3.571098711e+00 -2.956165351e+00 -2.398823337e+00 2.62 -3.572662839e+00 -3.053993984e+00 -2.577460442e+00 2.64 -3.564208391e+00 -3.138947759e+00 -2.745068881e+00 2.66 -3.547150451e+00 -3.212162188e+00 -2.901447620e+00 2.68 -3.522650751e+00 -3.274758701e+00 -3.044687457e+00 2.70 -3.491425703e+00 -3.327854303e+00 -3.172825698e+00 2.72 -3.453798858e+00 -3.372560838e+00 -3.283900457e+00 2.74 -3.410094421e+00 -3.409984168e+00 -3.376632277e+00 2.76 -3.360854283e+00 -3.441223258e+00 -3.451980955e+00 2.78 -3.306705454e+00 -3.467369156e+00 -3.511365589e+00 2.80 -3.248251860e+00 -3.489481971e+00 -3.556205732e+00 2.82 -3.186070780e+00 -3.507676716e+00 -3.587921308e+00 2.84 -3.120709483e+00 -3.520705673e+00 -3.607932498e+00 2.86 -3.052681498e+00 -3.527196648e+00 -3.617659609e+00 2.88 -2.982462439e+00 -3.525770941e+00 -3.618522904e+00 2.90 -2.910479411e+00 -3.515224018e+00 -3.611854083e+00 2.92 -2.837059438e+00 -3.495753073e+00 -3.598381484e+00 2.94 -2.762473672e+00 -3.468257154e+00 -3.578584611e+00 2.96 -2.686985767e+00 -3.433634408e+00 -3.552942978e+00 2.98 -2.610852084e+00 -3.392771459e+00 -3.521936401e+00 3.00 -2.534320665e+00 -3.346542262e+00 -3.486044695e+00 3.02 -2.457630266e+00 -3.295798745e+00 -3.445747282e+00 3.04 -2.381009483e+00 -3.241308425e+00 -3.401522733e+00 3.06 -2.304676005e+00 -3.183787195e+00 -3.353848203e+00 3.08 -2.228836019e+00 -3.123855066e+00 -3.303198761e+00 3.10 -2.153683745e+00 -3.061838546e+00 -3.250046606e+00 3.12 -2.079381599e+00 -2.997990135e+00 -3.194860143e+00 3.14 -2.005948532e+00 -2.932560943e+00 -3.138102915e+00 3.16 -1.933336532e+00 -2.865800158e+00 -3.080232374e+00 3.18 -1.861516195e+00 -2.797954197e+00 -3.021698495e+00 3.20 -1.790558783e+00 -2.729265702e+00 -2.962942208e+00 3.22 -1.720558357e+00 -2.659972369e+00 -2.904393663e+00 3.24 -1.651609637e+00 -2.590305587e+00 -2.846411943e+00 3.26 -1.583807479e+00 -2.520488893e+00 -2.788873746e+00 3.28 -1.517246170e+00 -2.450736223e+00 -2.731397528e+00 3.30 -1.452018503e+00 -2.381249970e+00 -2.673583207e+00 3.32 -1.388214590e+00 -2.312218876e+00 -2.615013893e+00 3.34 -1.325922329e+00 -2.243815760e+00 -2.555269628e+00 3.36 -1.265265919e+00 -2.176195161e+00 -2.494288586e+00 3.38 -1.206401770e+00 -2.109490927e+00 -2.432406180e+00 3.40 -1.149476718e+00 -2.043813849e+00 -2.369958891e+00 3.42 -1.094623093e+00 -1.979249413e+00 -2.307255571e+00 3.44 -1.041954906e+00 -1.915855755e+00 -2.244575475e+00 3.46 -9.915635667e-01 -1.853661865e+00 -2.182166381e+00 3.48 -9.435132332e-01 -1.792663819e+00 -2.120239372e+00 3.50 -8.978359076e-01 -1.732778001e+00 -2.058898769e+00 3.52 -8.545265608e-01 -1.673841492e+00 -1.998142546e+00 3.54 -8.135401280e-01 -1.615657478e+00 -1.937927046e+00 3.56 -7.748407036e-01 -1.558118949e+00 -1.878226684e+00 3.58 -7.384256633e-01 -1.501273364e+00 -1.819061324e+00 3.60 -7.042711992e-01 -1.445181898e+00 -1.760452346e+00 3.62 -6.723288008e-01 -1.389906475e+00 -1.702422128e+00 3.64 -6.425264809e-01 -1.335509731e+00 -1.644994082e+00 3.66 -6.147722095e-01 -1.282054951e+00 -1.588192668e+00 3.68 -5.890003867e-01 -1.229605954e+00 -1.532043383e+00 3.70 -5.652174231e-01 -1.178226942e+00 -1.476572708e+00 3.72 -5.434284887e-01 -1.127982257e+00 -1.421808010e+00 3.74 -5.235595444e-01 -1.078936068e+00 -1.367777377e+00 3.76 -5.052605804e-01 -1.031151923e+00 -1.314509353e+00 3.78 -4.879040718e-01 -9.846922060e-01 -1.262032580e+00 3.80 -4.711800857e-01 -9.396173948e-01 -1.210375298e+00 3.82 -4.550871326e-01 -8.959851780e-01 -1.159564665e+00 3.84 -4.393784472e-01 -8.538492609e-01 -1.109625953e+00 3.86 -4.224214282e-01 -8.132579245e-01 -1.060581490e+00 3.88 -4.032627160e-01 -7.742531104e-01 -1.012449459e+00 3.90 -3.817724469e-01 -7.368692706e-01 -9.652425320e-01 3.92 -3.584761654e-01 -7.011337156e-01 -9.189664414e-01 3.94 -3.346566433e-01 -6.670743067e-01 -8.736184228e-01 3.96 -3.112208975e-01 -6.347541226e-01 -8.291860224e-01 3.98 -2.882040949e-01 -6.038532734e-01 -7.856456925e-01 4.00 -2.664291181e-01 -5.740885875e-01 -7.429624674e-01 4.02 -2.466842810e-01 -5.452150407e-01 -7.010891115e-01 4.04 -2.296280502e-01 -5.169809038e-01 -6.599663656e-01 4.06 -2.147618782e-01 -4.891199541e-01 -6.195243745e-01 4.08 -2.007658023e-01 -4.613692367e-01 -5.796821105e-01 4.10 -1.865471732e-01 -4.334998262e-01 -5.403651105e-01 4.12 -1.704564926e-01 -4.055543220e-01 -5.015929963e-01 4.14 -1.524913921e-01 -3.776028518e-01 -4.634254519e-01 4.16 -1.329602135e-01 -3.496242827e-01 -4.259359242e-01 4.18 -1.130441151e-01 -3.215078443e-01 -3.891765549e-01 4.20 -9.369076862e-02 -2.939613547e-01 -3.532079209e-01 4.22 -7.550882691e-02 -2.686680525e-01 -3.180620672e-01 4.24 -5.885722684e-02 -2.462826178e-01 -2.831111227e-01 4.26 -4.391570858e-02 -2.229186882e-01 -2.503552022e-01 4.28 -3.073956738e-02 -1.956941185e-01 -2.220517332e-01 4.30 -1.930131944e-02 -1.639282869e-01 -1.950438331e-01 4.32 -9.521648625e-03 -1.286860604e-01 -1.640053856e-01 4.34 -1.291704819e-03 -9.339412534e-02 -1.274209457e-01 4.36 5.511450765e-03 -6.066179152e-02 -8.701712559e-02 4.38 1.101471413e-02 -3.181374909e-02 -4.741784953e-02 4.40 1.534281785e-02 -7.366127521e-03 -1.190396646e-02 4.42 1.861513473e-02 1.264706576e-02 1.803324824e-02 4.44 2.094451603e-02 2.845596673e-02 4.200983899e-02 4.46 2.243745139e-02 4.041579272e-02 6.023737322e-02 4.48 2.319499500e-02 4.892316336e-02 7.320392211e-02 4.50 2.331403993e-02 5.436883213e-02 8.148710088e-02 4.52 2.288864024e-02 5.710981581e-02 8.564840917e-02 4.54 2.201117868e-02 5.743828237e-02 8.615581737e-02 4.56 2.077325550e-02 5.539532664e-02 8.309298996e-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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