# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = Cr # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan -5.213589787e+02 nan 0.78 nan nan nan nan nan nan nan nan -4.816809819e+02 nan 0.80 nan nan nan nan nan nan nan nan -4.457138232e+02 nan 0.82 nan nan nan nan nan -3.553627444e+02 nan nan -4.127727165e+02 nan 0.84 nan nan nan nan nan -3.281791875e+02 nan nan -3.825413538e+02 nan 0.86 nan nan nan nan nan -3.028625858e+02 nan nan -3.550116759e+02 nan 0.88 nan nan nan nan nan -2.793174274e+02 nan nan -3.298269652e+02 nan 0.90 nan nan nan nan nan -2.572856688e+02 nan nan -3.066488874e+02 nan 0.92 nan nan nan -5.603970935e+02 -5.603791730e+02 -2.366106957e+02 nan nan -2.853718139e+02 -3.911989758e+02 0.94 nan -3.629315205e+02 nan -5.237703667e+02 -5.236612211e+02 -2.169691513e+02 -3.705566276e+02 nan -2.657127718e+02 -3.655324660e+02 0.96 nan -3.393834821e+02 nan -4.902447430e+02 -4.901476272e+02 -1.982122538e+02 -3.472371184e+02 nan -2.473396183e+02 -3.415829492e+02 0.98 nan -3.178033854e+02 nan -4.592735390e+02 -4.591627877e+02 -1.805729456e+02 -3.253069631e+02 nan -2.300891884e+02 -3.196126914e+02 1.00 nan -2.978744779e+02 nan -4.305866613e+02 -4.303571850e+02 -1.641952729e+02 -3.047320560e+02 nan -2.140160019e+02 -2.995590965e+02 1.02 nan -2.795378932e+02 nan -4.042358645e+02 -4.038847207e+02 -1.490063152e+02 -2.856386166e+02 nan -1.990560376e+02 -2.810281321e+02 1.04 nan -2.627152156e+02 -3.479962527e+02 -3.801840409e+02 -3.798267283e+02 -1.350551934e+02 -2.680170518e+02 -3.579367402e+02 -1.850341300e+02 -2.637022155e+02 1.06 -3.586504554e+02 -2.471916515e+02 -3.276192210e+02 -3.580705164e+02 -3.578021372e+02 -1.223224046e+02 -2.517562995e+02 -3.370722700e+02 -1.718067286e+02 -2.475286871e+02 1.08 -3.381136385e+02 -2.327279924e+02 -3.088114932e+02 -3.376226447e+02 -3.375070725e+02 -1.108763621e+02 -2.366961503e+02 -3.174718381e+02 -1.592825868e+02 -2.323382444e+02 1.10 -3.187690335e+02 -2.191949638e+02 -2.914002495e+02 -3.186784217e+02 -3.187653225e+02 -1.007077541e+02 -2.226687851e+02 -2.990808616e+02 -1.473404652e+02 -2.179356303e+02 1.12 -3.006016520e+02 -2.064106259e+02 -2.750935706e+02 -3.010276556e+02 -3.013188185e+02 -9.168580594e+01 -2.093798906e+02 -2.819487487e+02 -1.358929422e+02 -2.043465457e+02 1.14 -2.836619529e+02 -1.944123355e+02 -2.597627454e+02 -2.844174571e+02 -2.848531931e+02 -8.376923869e+01 -1.966806793e+02 -2.660897020e+02 -1.248769729e+02 -1.916394132e+02 1.16 -2.679254905e+02 -1.831781940e+02 -2.452619241e+02 -2.686968066e+02 -2.691714881e+02 -7.685882547e+01 -1.846234235e+02 -2.514207294e+02 -1.143294038e+02 -1.796964116e+02 1.18 -2.533779208e+02 -1.727310933e+02 -2.316975145e+02 -2.539127823e+02 -2.543152228e+02 -7.088272039e+01 -1.732867697e+02 -2.378858215e+02 -1.043198293e+02 -1.682687774e+02 1.20 -2.400040770e+02 -1.628570169e+02 -2.191842942e+02 -2.401854852e+02 -2.404089672e+02 -6.572231344e+01 -1.626507930e+02 -2.254134695e+02 -9.488823770e+01 -1.571746146e+02 1.22 -2.276908527e+02 -1.534076728e+02 -2.076615163e+02 -2.275215394e+02 -2.275228002e+02 -6.118345012e+01 -1.525428807e+02 -2.138355053e+02 -8.598725924e+01 -1.463576636e+02 1.24 -2.162590245e+02 -1.442225681e+02 -1.969435022e+02 -2.158093530e+02 -2.156157618e+02 -5.703459057e+01 -1.428528047e+02 -2.029212729e+02 -7.760612361e+01 -1.358514269e+02 1.26 -2.054325813e+02 -1.352334546e+02 -1.868680566e+02 -2.048702193e+02 -2.045433875e+02 -5.311797359e+01 -1.334754920e+02 -1.924965084e+02 -6.975939492e+01 -1.257380138e+02 1.28 -1.950452530e+02 -1.264547592e+02 -1.772659343e+02 -1.945189259e+02 -1.941182107e+02 -4.932532479e+01 -1.244098946e+02 -1.824601272e+02 -6.251692687e+01 -1.159881935e+02 1.30 -1.850537726e+02 -1.179008780e+02 -1.681274783e+02 -1.846432365e+02 -1.842176721e+02 -4.564699990e+01 -1.155783975e+02 -1.728333050e+02 -5.592665534e+01 -1.066013873e+02 1.32 -1.754531950e+02 -1.095284903e+02 -1.593284572e+02 -1.751773935e+02 -1.747849944e+02 -4.209427312e+01 -1.069118570e+02 -1.635968933e+02 -4.999853178e+01 -9.756515830e+01 1.34 -1.662700434e+02 -1.013321117e+02 -1.507999651e+02 -1.661300574e+02 -1.658333267e+02 -3.865209147e+01 -9.833168872e+01 -1.547611045e+02 -4.467946922e+01 -8.894137453e+01 1.36 -1.574745261e+02 -9.331882766e+01 -1.424991183e+02 -1.574844910e+02 -1.573292551e+02 -3.526794612e+01 -8.982668024e+01 -1.463381549e+02 -3.990176353e+01 -8.079239991e+01 1.38 -1.490854813e+02 -8.552321710e+01 -1.345063343e+02 -1.492135874e+02 -1.491929275e+02 -3.195993147e+01 -8.145514497e+01 -1.382823633e+02 -3.555892627e+01 -7.326053640e+01 1.40 -1.410768529e+02 -7.794466185e+01 -1.267874492e+02 -1.412656080e+02 -1.413385661e+02 -2.870866126e+01 -7.338016255e+01 -1.305321976e+02 -3.160957972e+01 -6.642007942e+01 1.42 -1.333566430e+02 -7.058294889e+01 -1.192936345e+02 -1.335606091e+02 -1.336888640e+02 -2.553348174e+01 -6.574076934e+01 -1.229914409e+02 -2.801980311e+01 -6.026524391e+01 1.44 -1.259032621e+02 -6.348646072e+01 -1.119056148e+02 -1.260607068e+02 -1.262123471e+02 -2.238136059e+01 -5.861439085e+01 -1.155995732e+02 -2.474970466e+01 -5.475885459e+01 1.46 -1.186353835e+02 -5.666680291e+01 -1.045116940e+02 -1.187166548e+02 -1.188797308e+02 -1.919500466e+01 -5.205233525e+01 -1.083098295e+02 -2.171696633e+01 -4.972333981e+01 1.48 -1.115329973e+02 -5.012910987e+01 -9.715373783e+01 -1.115180361e+02 -1.116880940e+02 -1.594422096e+01 -4.602903406e+01 -1.010884158e+02 -1.887149464e+01 -4.506337414e+01 1.50 -1.045187392e+02 -4.381609312e+01 -8.982671417e+01 -1.044304031e+02 -1.046084096e+02 -1.263698013e+01 -4.051166678e+01 -9.391244591e+01 -1.615680109e+01 -4.072751429e+01 1.52 -9.749937389e+01 -3.772771640e+01 -8.255342313e+01 -9.742834869e+01 -9.761529821e+01 -9.804658414e+00 -3.546818734e+01 -8.677686901e+01 -1.353341560e+01 -3.671173757e+01 1.54 -9.045599193e+01 -3.188681596e+01 -7.535836858e+01 -9.049319069e+01 -9.069632371e+01 -7.573896051e+00 -3.086849878e+01 -7.970393928e+01 -1.111513839e+01 -3.300200813e+01 1.56 -8.340735839e+01 -2.638463983e+01 -6.825360000e+01 -8.362192169e+01 -8.384690517e+01 -5.873923276e+00 -2.666961355e+01 -7.273834451e+01 -9.143538872e+00 -2.957243967e+01 1.58 -7.646621534e+01 -2.124185500e+01 -6.121566966e+01 -7.682601302e+01 -7.706062640e+01 -4.619313045e+00 -2.282390111e+01 -6.593219069e+01 -7.550046530e+00 -2.639114586e+01 1.60 -6.968850490e+01 -1.645319080e+01 -5.424721333e+01 -7.013207291e+01 -7.035988563e+01 -3.712501769e+00 -1.930099344e+01 -5.931852011e+01 -6.267138177e+00 -2.343960254e+01 1.62 -6.310848512e+01 -1.199105095e+01 -4.741915806e+01 -6.355996573e+01 -6.375927296e+01 -3.077806813e+00 -1.608091633e+01 -5.289749830e+01 -5.245552866e+00 -2.064061287e+01 1.64 -5.673841892e+01 -8.195568485e+00 -4.083396759e+01 -5.712363018e+01 -5.728052692e+01 -2.630388925e+00 -1.318443486e+01 -4.669330974e+01 -4.455744514e+00 -1.799167578e+01 1.66 -5.059189522e+01 -5.415428700e+00 -3.459130188e+01 -5.088044926e+01 -5.099744440e+01 -2.276911298e+00 -1.069067528e+01 -4.074823801e+01 -3.862290746e+00 -1.542824264e+01 1.68 -4.462390073e+01 -3.579393385e+00 -2.879043766e+01 -4.483601399e+01 -4.492971808e+01 -1.964963147e+00 -8.788858395e+00 -3.505783924e+01 -3.424255839e+00 -1.290780431e+01 1.70 -3.892956648e+01 -2.448998413e+00 -2.344308126e+01 -3.904231668e+01 -3.911810081e+01 -1.651943465e+00 -7.322536575e+00 -2.969579273e+01 -3.108924589e+00 -1.067690080e+01 1.72 -3.349894587e+01 -1.816607810e+00 -1.856058919e+01 -3.349590037e+01 -3.355233356e+01 -1.411938174e+00 -6.181639895e+00 -2.464451545e+01 -2.886251550e+00 -8.788706651e+00 1.74 -2.832304472e+01 -1.517884657e+00 -1.413048245e+01 -2.821358423e+01 -2.824292821e+01 -1.289346781e+00 -5.276747134e+00 -1.990933557e+01 -2.723063793e+00 -7.191664566e+00 1.76 -2.343880677e+01 -1.442880059e+00 -1.014820153e+01 -2.322137949e+01 -2.319995838e+01 -1.238494445e+00 -4.553320540e+00 -1.550251234e+01 -2.591288721e+00 -5.872405347e+00 1.78 -1.886634780e+01 -1.504842647e+00 -7.059583001e+00 -1.855596321e+01 -1.846291482e+01 -1.229379410e+00 -3.986627445e+00 -1.142733412e+01 -2.458512875e+00 -4.815334798e+00 1.80 -1.461354530e+01 -1.643561509e+00 -4.912901510e+00 -1.422859064e+01 -1.405246600e+01 -1.231959297e+00 -3.545557924e+00 -7.909349279e+00 -2.333798676e+00 -3.995875565e+00 1.82 -1.066217569e+01 -1.823980255e+00 -3.444148183e+00 -1.025045644e+01 -9.998884337e+00 -1.239786917e+00 -3.211965576e+00 -5.395226847e+00 -2.255294498e+00 -3.371303562e+00 1.84 -7.363082395e+00 -2.021102851e+00 -2.464022611e+00 -7.047794608e+00 -6.800173379e+00 -1.250577765e+00 -2.970542019e+00 -3.670582121e+00 -2.243511817e+00 -2.924298235e+00 1.86 -5.027296686e+00 -2.218393884e+00 -1.847855000e+00 -4.806049909e+00 -4.580738817e+00 -1.268485091e+00 -2.808648431e+00 -2.528830848e+00 -2.274600424e+00 -2.617302658e+00 1.88 -3.427573189e+00 -2.408673532e+00 -1.498858259e+00 -3.269271428e+00 -3.074021840e+00 -1.293451876e+00 -2.710240911e+00 -1.810783964e+00 -2.333420413e+00 -2.417511030e+00 1.90 -2.367128788e+00 -2.590332805e+00 -1.342088010e+00 -2.253714093e+00 -2.090584165e+00 -1.326975562e+00 -2.664044722e+00 -1.395623146e+00 -2.403803648e+00 -2.285747967e+00 1.92 -1.706199528e+00 -2.762053645e+00 -1.318863305e+00 -1.619671303e+00 -1.488263362e+00 -1.369820263e+00 -2.657037634e+00 -1.198659955e+00 -2.468625004e+00 -2.202157207e+00 1.94 -1.328376417e+00 -2.922997499e+00 -1.387749224e+00 -1.254721792e+00 -1.147354475e+00 -1.421768415e+00 -2.666990924e+00 -1.152644946e+00 -2.526846381e+00 -2.140522294e+00 1.96 -1.152041304e+00 -3.062980518e+00 -1.520313318e+00 -1.088906794e+00 -1.003775684e+00 -1.481395022e+00 -2.681002189e+00 -1.205987664e+00 -2.578419038e+00 -2.084081571e+00 1.98 -1.118369380e+00 -3.189016130e+00 -1.695907354e+00 -1.062773562e+00 -9.955130976e-01 -1.547384726e+00 -2.686210483e+00 -1.333550922e+00 -2.625577972e+00 -2.050937994e+00 2.00 -1.179058507e+00 -3.299519471e+00 -1.895196196e+00 -1.131540178e+00 -1.079819606e+00 -1.616146644e+00 -2.693835820e+00 -1.502280338e+00 -2.670834909e+00 -2.064511630e+00 2.02 -1.300654302e+00 -3.397034803e+00 -2.100889101e+00 -1.264683068e+00 -1.226525641e+00 -1.685797266e+00 -2.725561960e+00 -1.703749362e+00 -2.713629664e+00 -2.137398855e+00 2.04 -1.470950870e+00 -3.486640775e+00 -2.316138166e+00 -1.444806284e+00 -1.418500072e+00 -1.759503279e+00 -2.799586170e+00 -1.921835234e+00 -2.758643491e+00 -2.247298041e+00 2.06 -1.669924784e+00 -3.570853256e+00 -2.530282788e+00 -1.654503649e+00 -1.639266427e+00 -1.835270028e+00 -2.899623233e+00 -2.145463819e+00 -2.804686728e+00 -2.377695657e+00 2.08 -1.885480422e+00 -3.650530219e+00 -2.739010752e+00 -1.878062884e+00 -1.873433165e+00 -1.912972860e+00 -3.014957634e+00 -2.365396779e+00 -2.847979978e+00 -2.515952280e+00 2.10 -2.106831155e+00 -3.725900592e+00 -2.938717799e+00 -2.108956944e+00 -2.114750966e+00 -1.992284306e+00 -3.133413258e+00 -2.574094376e+00 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