# 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 = Ag3Pd # 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 3.123329520e+02 nan nan 1.16 2.872086612e+02 nan nan 1.18 2.641455628e+02 nan nan 1.20 2.429595274e+02 nan nan 1.22 2.234847434e+02 nan nan 1.24 2.055716618e+02 nan nan 1.26 1.890850804e+02 nan nan 1.28 1.739025745e+02 2.703681414e+02 3.103210129e+02 1.30 1.599131841e+02 2.503319548e+02 2.878960941e+02 1.32 1.470162528e+02 2.317921642e+02 2.671201307e+02 1.34 1.351204678e+02 2.146298479e+02 2.478598441e+02 1.36 1.241431280e+02 1.987353772e+02 2.299940392e+02 1.38 1.140094525e+02 1.840071046e+02 2.134133296e+02 1.40 1.046516950e+02 1.703511327e+02 1.980191149e+02 1.42 9.600807973e+01 1.576817572e+02 1.837218128e+02 1.44 8.802183772e+01 1.459217902e+02 1.704391131e+02 1.46 8.064060128e+01 1.350021460e+02 1.580948729e+02 1.48 7.381611797e+01 1.248606661e+02 1.466186819e+02 1.50 6.750973710e+01 1.154406311e+02 1.359457048e+02 1.52 6.170086697e+01 1.066894649e+02 1.260163840e+02 1.54 5.635196260e+01 9.855792480e+01 1.167758678e+02 1.56 5.142582401e+01 9.099978742e+01 1.081733387e+02 1.58 4.688855328e+01 8.397185372e+01 1.001615228e+02 1.60 4.270926621e+01 7.743406793e+01 9.269653443e+01 1.62 3.885981603e+01 7.134961256e+01 8.573797406e+01 1.64 3.531452973e+01 6.569331804e+01 7.924903525e+01 1.66 3.204996307e+01 6.044938460e+01 7.319639555e+01 1.68 2.904465706e+01 5.558854142e+01 6.755261586e+01 1.70 2.627887339e+01 5.108295214e+01 6.230653224e+01 1.72 2.373432000e+01 4.690679432e+01 5.743426133e+01 1.74 2.139391018e+01 4.303596724e+01 5.290956191e+01 1.76 1.924160116e+01 3.944795293e+01 4.870781648e+01 1.78 1.726234006e+01 3.612179108e+01 4.480590651e+01 1.80 1.544210821e+01 3.303810061e+01 4.118218319e+01 1.82 1.376800669e+01 3.017907946e+01 3.781649745e+01 1.84 1.222830565e+01 2.752843868e+01 3.469023529e+01 1.86 1.081241398e+01 2.507127264e+01 3.178629665e+01 1.88 9.510781638e+00 2.279390364e+01 2.908898610e+01 1.90 8.314772465e+00 2.068373713e+01 2.658384319e+01 1.92 7.216538942e+00 1.872913826e+01 2.425747688e+01 1.94 6.208914046e+00 1.691932460e+01 2.209744834e+01 1.96 5.285323676e+00 1.524427051e+01 2.009219801e+01 1.98 4.439716398e+00 1.369462419e+01 1.823098774e+01 2.00 3.666503659e+00 1.226164061e+01 1.650384052e+01 2.02 2.960502711e+00 1.093713158e+01 1.490148054e+01 2.04 2.316877823e+00 9.713429929e+00 1.341528342e+01 2.06 1.731082317e+00 8.583361564e+00 1.203724008e+01 2.08 1.198810764e+00 7.540219797e+00 1.075992950e+01 2.10 7.159713362e-01 6.577740714e+00 9.576491917e+00 2.12 2.786809343e-01 5.690081363e+00 8.480595853e+00 2.14 -1.167248418e-01 4.871802120e+00 7.466397714e+00 2.16 -4.736797390e-01 4.117853056e+00 6.528495380e+00 2.18 -7.953816991e-01 3.423563326e+00 5.661875855e+00 2.20 -1.084795131e+00 2.784631880e+00 4.861856347e+00 2.22 -1.344655957e+00 2.197116382e+00 4.124023507e+00 2.24 -1.577475219e+00 1.657416576e+00 3.444183387e+00 2.26 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-2.950951269e+00 -2.781428456e+00 -2.543453305e+00 2.64 -2.930348413e+00 -2.836576169e+00 -2.641089369e+00 2.66 -2.904553832e+00 -2.882904232e+00 -2.726596644e+00 2.68 -2.874106456e+00 -2.921135366e+00 -2.800590838e+00 2.70 -2.839601058e+00 -2.951902280e+00 -2.863686610e+00 2.72 -2.801674108e+00 -2.975762374e+00 -2.916506326e+00 2.74 -2.760941065e+00 -2.993233680e+00 -2.959684637e+00 2.76 -2.717965296e+00 -3.004778022e+00 -2.993868510e+00 2.78 -2.673241444e+00 -3.011045860e+00 -3.019713474e+00 2.80 -2.627187205e+00 -3.012311662e+00 -3.037884891e+00 2.82 -2.580142349e+00 -3.008635056e+00 -3.049082743e+00 2.84 -2.532373533e+00 -3.000131555e+00 -3.054014803e+00 2.86 -2.484083458e+00 -2.986967535e+00 -3.053645578e+00 2.88 -2.435422867e+00 -2.969354785e+00 -3.048513284e+00 2.90 -2.386503583e+00 -2.947544114e+00 -3.038950364e+00 2.92 -2.337410832e+00 -2.921817783e+00 -3.025320317e+00 2.94 -2.288213458e+00 -2.892486001e+00 -3.007992254e+00 2.96 -2.238971362e+00 -2.859891037e+00 -2.987317682e+00 2.98 -2.189740207e+00 -2.824382402e+00 -2.963613559e+00 3.00 -2.140573889e+00 -2.786304871e+00 -2.937153886e+00 3.02 -2.091525475e+00 -2.745995680e+00 -2.908175748e+00 3.04 -2.042647304e+00 -2.703782932e+00 -2.876895749e+00 3.06 -1.993990765e+00 -2.659983722e+00 -2.843499717e+00 3.08 -1.945606108e+00 -2.614900586e+00 -2.808149295e+00 3.10 -1.897542417e+00 -2.568815960e+00 -2.770990904e+00 3.12 -1.849847754e+00 -2.521985482e+00 -2.732162258e+00 3.14 -1.802569364e+00 -2.474631897e+00 -2.691796501e+00 3.16 -1.755753806e+00 -2.426941273e+00 -2.650024441e+00 3.18 -1.709446863e+00 -2.379062594e+00 -2.606975469e+00 3.20 -1.663693166e+00 -2.331110685e+00 -2.562777767e+00 3.22 -1.618535526e+00 -2.283171639e+00 -2.517558220e+00 3.24 -1.574014050e+00 -2.235309509e+00 -2.471442345e+00 3.26 -1.530165169e+00 -2.187573098e+00 -2.424554361e+00 3.28 -1.487020746e+00 -2.140002006e+00 -2.377017442e+00 3.30 -1.444607397e+00 -2.092631509e+00 -2.328954036e+00 3.32 -1.402946156e+00 -2.045496111e+00 -2.280486109e+00 3.34 -1.362052530e+00 -1.998631856e+00 -2.231735131e+00 3.36 -1.321936944e+00 -1.952077543e+00 -2.182821673e+00 3.38 -1.282605506e+00 -1.905875063e+00 -2.133864616e+00 3.40 -1.244060991e+00 -1.860069043e+00 -2.084980088e+00 3.42 -1.206303895e+00 -1.814706021e+00 -2.036280357e+00 3.44 -1.169333438e+00 -1.769833298e+00 -1.987872952e+00 3.46 -1.133148348e+00 -1.725497674e+00 -1.939860136e+00 3.48 -1.097747398e+00 -1.681744170e+00 -1.892338698e+00 3.50 -1.063129609e+00 -1.638614849e+00 -1.845399810e+00 3.52 -1.029294165e+00 -1.596147805e+00 -1.799128624e+00 3.54 -9.962400621e-01 -1.554376346e+00 -1.753603272e+00 3.56 -9.639655969e-01 -1.513328393e+00 -1.708893256e+00 3.58 -9.324677649e-01 -1.473026067e+00 -1.665057340e+00 3.60 -9.017416553e-01 -1.433485471e+00 -1.622141399e+00 3.62 -8.717799076e-01 -1.394716627e+00 -1.580176697e+00 3.64 -8.425722740e-01 -1.356723573e+00 -1.539179024e+00 3.66 -8.141053145e-01 -1.319504593e+00 -1.499148916e+00 3.68 -7.863622315e-01 -1.283052580e+00 -1.460072950e+00 3.70 -7.593228430e-01 -1.247355537e+00 -1.421925890e+00 3.72 -7.329636862e-01 -1.212397193e+00 -1.384673402e+00 3.74 -7.072582407e-01 -1.178157737e+00 -1.348274978e+00 3.76 -6.821772642e-01 -1.144614642e+00 -1.312686827e+00 3.78 -6.576892353e-01 -1.111743555e+00 -1.277864503e+00 3.80 -6.337609019e-01 -1.079519196e+00 -1.243765172e+00 3.82 -6.103579386e-01 -1.047916242e+00 -1.210349436e+00 3.84 -5.874457177e-01 -1.016910128e+00 -1.177582693e+00 3.86 -5.649901981e-01 -9.864777389e-01 -1.145436020e+00 3.88 -5.429589331e-01 -9.565979520e-01 -1.113886611e+00 3.90 -5.213221865e-01 -9.272520386e-01 -1.082917789e+00 3.92 -5.000541292e-01 -8.984239188e-01 -1.052518659e+00 3.94 -4.791340693e-01 -8.701003110e-01 -1.022683465e+00 3.96 -4.585476198e-01 -8.422707908e-01 -9.934107277e-01 3.98 -4.382877093e-01 -8.149278179e-01 -9.647022691e-01 4.00 -4.183552861e-01 -7.880667360e-01 -9.365621897e-01 4.02 -3.987595803e-01 -7.616857608e-01 -9.089958781e-01 4.04 -3.795178100e-01 -7.357859427e-01 -8.820091101e-01 4.06 -3.606542736e-01 -7.103710732e-01 -8.556072755e-01 4.08 -3.421988627e-01 -6.854475029e-01 -8.297947519e-01 4.10 -3.241851303e-01 -6.610238357e-01 -8.045744294e-01 4.12 -3.066481392e-01 -6.371105142e-01 -7.799473794e-01 4.14 -2.896223608e-01 -6.137192677e-01 -7.559126482e-01 4.16 -2.731398829e-01 -5.908625459e-01 -7.324671573e-01 4.18 -2.572291023e-01 -5.685529583e-01 -7.096056847e-01 4.20 -2.419139646e-01 -5.468028128e-01 -6.873209082e-01 4.22 -2.272136977e-01 -5.256237945e-01 -6.656034896e-01 4.24 -2.131428578e-01 -5.050267848e-01 -6.444421856e-01 4.26 -1.997115480e-01 -4.850217686e-01 -6.238239710e-01 4.28 -1.869256252e-01 -4.656177428e-01 -6.037341678e-01 4.30 -1.747868302e-01 -4.468225241e-01 -5.841565728e-01 4.32 -1.632928431e-01 -4.286423766e-01 -5.650735823e-01 4.34 -1.524373338e-01 -4.110814327e-01 -5.464663125e-01 4.36 -1.422100935e-01 -3.941409395e-01 -5.283147201e-01 4.38 -1.325973192e-01 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-6.579120671e-05 -2.682215873e-04 -4.015200404e-04 5.82 -5.705549597e-05 -2.326322937e-04 -3.482422508e-04 5.84 -4.950363902e-05 -2.018637148e-04 -3.021813842e-04 5.86 -4.297239436e-05 -1.752512175e-04 -2.623424108e-04 5.88 -3.732131600e-05 -1.522230156e-04 -2.278693068e-04 5.90 -3.242955376e-05 -1.322871210e-04 -1.980255179e-04 5.92 -2.819309944e-05 -1.150201182e-04 -1.721771528e-04 5.94 -2.452241849e-05 -1.000575142e-04 -1.497785353e-04 5.96 -2.134041457e-05 -8.708544670e-05 -1.303597899e-04 5.98 -1.858068088e-05 -7.583356354e-05 -1.135161810e-04 6.00 -1.618599848e-05 -6.606890811e-05 -9.889895854e-05