# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgNi3 # 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 3.546435047e+02 nan nan 0.92 3.261863253e+02 nan nan 0.94 3.000579598e+02 nan nan 0.96 2.760249028e+02 nan nan 0.98 2.538777053e+02 3.579863350e+02 nan 1.00 2.334401341e+02 3.316951364e+02 3.688812028e+02 1.02 2.145669175e+02 3.073615038e+02 3.425614280e+02 1.04 1.971281906e+02 2.847972766e+02 3.181680354e+02 1.06 1.810005240e+02 2.638480975e+02 2.955130939e+02 1.08 1.660884400e+02 2.443760163e+02 2.744405489e+02 1.10 1.522966803e+02 2.262491877e+02 2.548171374e+02 1.12 1.395451396e+02 2.093703973e+02 2.365150043e+02 1.14 1.277610242e+02 1.936485878e+02 2.194429230e+02 1.16 1.168717745e+02 1.790047712e+02 2.035103053e+02 1.18 1.068111045e+02 1.653562442e+02 1.886323729e+02 1.20 9.752554321e+01 1.526447645e+02 1.747427606e+02 1.22 8.895920824e+01 1.408087199e+02 1.617750092e+02 1.24 8.105633588e+01 1.297926209e+02 1.496713307e+02 1.26 7.377625388e+01 1.195419053e+02 1.383692734e+02 1.28 6.707512262e+01 1.100043137e+02 1.278271044e+02 1.30 6.091177305e+01 1.011387595e+02 1.179973442e+02 1.32 5.524392293e+01 9.290317041e+01 1.088363099e+02 1.34 5.003629027e+01 8.525592998e+01 1.002978659e+02 1.36 4.525847347e+01 7.816228568e+01 9.234334527e+01 1.38 4.088001741e+01 7.158705959e+01 8.494366900e+01 1.40 3.687036982e+01 6.549359062e+01 7.806172133e+01 1.42 3.320211752e+01 5.984779875e+01 7.166743860e+01 1.44 2.984779823e+01 5.462569837e+01 6.573127284e+01 1.46 2.678592931e+01 4.980098180e+01 6.022202235e+01 1.48 2.399497041e+01 4.534596937e+01 5.511415057e+01 1.50 2.145399922e+01 4.123614370e+01 5.038320898e+01 1.52 1.914355615e+01 3.744896043e+01 4.600444510e+01 1.54 1.704533804e+01 3.396207077e+01 4.195217015e+01 1.56 1.514225362e+01 3.075483372e+01 3.820786867e+01 1.58 1.341634648e+01 2.780768767e+01 3.475164354e+01 1.60 1.185615472e+01 2.510226281e+01 3.156413899e+01 1.62 1.044720017e+01 2.261708159e+01 2.862244017e+01 1.64 9.178573772e+00 2.034068871e+01 2.591489240e+01 1.66 8.022444507e+00 1.825818151e+01 2.342535413e+01 1.68 6.944429590e+00 1.635543670e+01 2.113857411e+01 1.70 6.006314443e+00 1.461867523e+01 1.904014155e+01 1.72 5.127444553e+00 1.303331722e+01 1.711629843e+01 1.74 4.307079446e+00 1.159093706e+01 1.535529080e+01 1.76 3.542119770e+00 1.028066146e+01 1.374533847e+01 1.78 2.829872695e+00 9.092368649e+00 1.227539762e+01 1.80 2.168091796e+00 8.000649270e+00 1.093532174e+01 1.82 1.555313122e+00 7.009970916e+00 9.713826923e+00 1.84 9.891165951e-01 6.089312737e+00 8.600025901e+00 1.86 4.670741963e-01 5.265430179e+00 7.573690575e+00 1.88 -1.321469011e-02 4.489538188e+00 6.658064104e+00 1.90 -4.540997585e-01 3.762749722e+00 5.762772030e+00 1.92 -8.578543078e-01 3.081486632e+00 4.972027207e+00 1.94 -1.226669470e+00 2.444706265e+00 4.229381311e+00 1.96 -1.561544062e+00 1.851333719e+00 3.532954882e+00 1.98 -1.864909574e+00 1.299205023e+00 2.880059740e+00 2.00 -2.139676417e+00 7.864316083e-01 2.269788720e+00 2.02 -2.387627259e+00 3.110557209e-01 1.700251566e+00 2.04 -2.610472337e+00 -1.288434443e-01 1.169577697e+00 2.06 -2.810240120e+00 -5.351310601e-01 6.759273812e-01 2.08 -2.988350139e+00 -9.096484467e-01 2.174988707e-01 2.10 -3.146064766e+00 -1.254553621e+00 -2.074923922e-01 2.12 -3.285035103e+00 -1.570888276e+00 -6.009091553e-01 2.14 -3.406023613e+00 -1.859084461e+00 -9.641957968e-01 2.16 -3.510779323e+00 -2.121807328e+00 -1.300227753e+00 2.18 -3.600183719e+00 -2.361014693e+00 -1.609705411e+00 2.20 -3.674463152e+00 -2.578039905e+00 -1.891973740e+00 2.22 -3.735538243e+00 -2.774274222e+00 -2.149869006e+00 2.24 -3.784394583e+00 -2.950925579e+00 -2.385145736e+00 2.26 -3.821960403e+00 -3.109174201e+00 -2.599105948e+00 2.28 -3.849108182e+00 -3.250169263e+00 -2.793019525e+00 2.30 -3.866657404e+00 -3.375003082e+00 -2.968057004e+00 2.32 -3.875377284e+00 -3.484643215e+00 -3.125342641e+00 2.34 -3.875989391e+00 -3.580123132e+00 -3.265958039e+00 2.36 -3.869170136e+00 -3.662408410e+00 -3.390932500e+00 2.38 -3.855525275e+00 -3.732073313e+00 -3.501219005e+00 2.40 -3.835659940e+00 -3.789831245e+00 -3.597711258e+00 2.42 -3.810557567e+00 -3.837509443e+00 -3.682112648e+00 2.44 -3.780383166e+00 -3.875266802e+00 -3.754397773e+00 2.46 -3.745538129e+00 -3.903798110e+00 -3.814701098e+00 2.48 -3.706471189e+00 -3.923767281e+00 -3.864547142e+00 2.50 -3.663608761e+00 -3.935802624e+00 -3.904729593e+00 2.52 -3.617259872e+00 -3.941521736e+00 -3.935841175e+00 2.54 -3.566208370e+00 -3.940867469e+00 -3.958510445e+00 2.56 -3.512597378e+00 -3.933835363e+00 -3.973338025e+00 2.58 -3.457622236e+00 -3.920931693e+00 -3.980891245e+00 2.60 -3.400950185e+00 -3.902591248e+00 -3.981705712e+00 2.62 -3.342501494e+00 -3.879313955e+00 -3.976286879e+00 2.64 -3.282530907e+00 -3.851520422e+00 -3.965111469e+00 2.66 -3.221265423e+00 -3.819606092e+00 -3.948616427e+00 2.68 -3.159233022e+00 -3.783942025e+00 -3.927205284e+00 2.70 -3.096353454e+00 -3.744876247e+00 -3.901314270e+00 2.72 -3.032781427e+00 -3.702734397e+00 -3.871317970e+00 2.74 -2.968688143e+00 -3.657487927e+00 -3.837569094e+00 2.76 -2.904130677e+00 -3.608815363e+00 -3.800403594e+00 2.78 -2.839376189e+00 -3.557682717e+00 -3.760822344e+00 2.80 -2.774577197e+00 -3.504691175e+00 -3.719275049e+00 2.82 -2.709832973e+00 -3.450044697e+00 -3.674929124e+00 2.84 -2.645256732e+00 -3.393953697e+00 -3.626772355e+00 2.86 -2.580951859e+00 -3.336614723e+00 -3.576630644e+00 2.88 -2.517012599e+00 -3.278211202e+00 -3.524687942e+00 2.90 -2.453524639e+00 -3.218922141e+00 -3.471155409e+00 2.92 -2.390565689e+00 -3.158985919e+00 -3.416230726e+00 2.94 -2.328205979e+00 -3.098485004e+00 -3.360098796e+00 2.96 -2.266508720e+00 -3.038437873e+00 -3.302932420e+00 2.98 -2.205530563e+00 -2.978025143e+00 -3.244892974e+00 3.00 -2.145322212e+00 -2.917267801e+00 -3.186131004e+00 3.02 -2.085929105e+00 -2.856372284e+00 -3.126786824e+00 3.04 -2.027383083e+00 -2.795456682e+00 -3.066990707e+00 3.06 -1.969739058e+00 -2.734617205e+00 -3.006871266e+00 3.08 -1.913121372e+00 -2.673942749e+00 -2.946462765e+00 3.10 -1.857149172e+00 -2.613514958e+00 -2.885905941e+00 3.12 -1.801645778e+00 -2.553408784e+00 -2.825341363e+00 3.14 -1.747121406e+00 -2.493692877e+00 -2.764857265e+00 3.16 -1.693680854e+00 -2.434429962e+00 -2.704535912e+00 3.18 -1.641264758e+00 -2.375677216e+00 -2.644453192e+00 3.20 -1.589880966e+00 -2.317486649e+00 -2.584677131e+00 3.22 -1.539593235e+00 -2.259905262e+00 -2.525367013e+00 3.24 -1.490357670e+00 -2.202975426e+00 -2.466504839e+00 3.26 -1.442169986e+00 -2.146735632e+00 -2.408121690e+00 3.28 -1.395034810e+00 -2.091216474e+00 -2.350267249e+00 3.30 -1.348928649e+00 -2.036459524e+00 -2.292986648e+00 3.32 -1.303856666e+00 -1.982502783e+00 -2.236320929e+00 3.34 -1.259818975e+00 -1.929276318e+00 -2.180307269e+00 3.36 -1.216770642e+00 -1.876727603e+00 -2.124978708e+00 3.38 -1.174724626e+00 -1.824718505e+00 -2.070366708e+00 3.40 -1.133706262e+00 -1.773365965e+00 -2.016663855e+00 3.42 -1.093684081e+00 -1.722986849e+00 -1.964247630e+00 3.44 -1.054517110e+00 -1.673534137e+00 -1.912587782e+00 3.46 -1.016225461e+00 -1.624978738e+00 -1.861276187e+00 3.48 -9.789489022e-01 -1.577326694e+00 -1.810429964e+00 3.50 -9.427225805e-01 -1.530584708e+00 -1.760439455e+00 3.52 -9.073285583e-01 -1.484753277e+00 -1.711344544e+00 3.54 -8.729680095e-01 -1.439831698e+00 -1.663101426e+00 3.56 -8.399479746e-01 -1.395827473e+00 -1.615713509e+00 3.58 -8.082657114e-01 -1.352728816e+00 -1.569192691e+00 3.60 -7.777475403e-01 -1.310525129e+00 -1.523543677e+00 3.62 -7.482896456e-01 -1.269218275e+00 -1.478760422e+00 3.64 -7.200610329e-01 -1.228797544e+00 -1.434855075e+00 3.66 -6.926114230e-01 -1.189242819e+00 -1.391825422e+00 3.68 -6.654445603e-01 -1.150551302e+00 -1.349657147e+00 3.70 -6.382354332e-01 -1.112736838e+00 -1.308354916e+00 3.72 -6.107897445e-01 -1.075785659e+00 -1.267915284e+00 3.74 -5.829999503e-01 -1.039616885e+00 -1.228314281e+00 3.76 -5.548068294e-01 -1.004185150e+00 -1.189544647e+00 3.78 -5.263376697e-01 -9.695120579e-01 -1.151625192e+00 3.80 -4.977412162e-01 -9.357092434e-01 -1.114542629e+00 3.82 -4.691531109e-01 -9.027085369e-01 -1.078271637e+00 3.84 -4.405628005e-01 -8.706269059e-01 -1.042765341e+00 3.86 -4.122164038e-01 -8.396377511e-01 -1.007975607e+00 3.88 -3.844205771e-01 -8.099448254e-01 -9.740118785e-01 3.90 -3.574020610e-01 -7.814797463e-01 -9.407886404e-01 3.92 -3.314583423e-01 -7.540978867e-01 -9.082450972e-01 3.94 -3.097911685e-01 -7.275965279e-01 -8.766332916e-01 3.96 -2.891034886e-01 -7.018750029e-01 -8.460659258e-01 3.98 -2.694190671e-01 -6.765169236e-01 -8.167400765e-01 4.00 -2.507359056e-01 -6.512063184e-01 -7.886024932e-01 4.02 -2.330416584e-01 -6.257392640e-01 -7.615084721e-01 4.04 -2.163149801e-01 -5.999983654e-01 -7.355682008e-01 4.06 -2.005278693e-01 -5.739320375e-01 -7.105016487e-01 4.08 -1.856475514e-01 -5.474994627e-01 -6.858522460e-01 4.10 -1.716379850e-01 -5.207642916e-01 -6.613012042e-01 4.12 -1.584610662e-01 -4.938322440e-01 -6.366382032e-01 4.14 -1.460775811e-01 -4.668645545e-01 -6.117373297e-01 4.16 -1.344479445e-01 -4.402550887e-01 -5.865374082e-01 4.18 -1.235327741e-01 -4.158148015e-01 -5.610173980e-01 4.20 -1.132933349e-01 -3.918108786e-01 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