# 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 = Co3Pb # 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 2.406516593e+02 nan nan 1.16 2.210634171e+02 nan nan 1.18 2.030944295e+02 nan nan 1.20 1.866010644e+02 nan nan 1.22 1.714534051e+02 nan nan 1.24 1.575334990e+02 nan nan 1.26 1.447341417e+02 nan nan 1.28 1.329582874e+02 2.077968489e+02 2.387414831e+02 1.30 1.221186219e+02 1.922092658e+02 2.212706201e+02 1.32 1.121365263e+02 1.777987407e+02 2.050974502e+02 1.34 1.029405876e+02 1.644688895e+02 1.901176675e+02 1.36 9.446551349e+01 1.521315269e+02 1.762366655e+02 1.38 8.665169822e+01 1.407061295e+02 1.633684801e+02 1.40 7.944489167e+01 1.301197684e+02 1.514346894e+02 1.42 7.279551619e+01 1.203069279e+02 1.403633445e+02 1.44 6.665796722e+01 1.112086093e+02 1.300880562e+02 1.46 6.099029294e+01 1.027710041e+02 1.205475010e+02 1.48 5.575423632e+01 9.494440865e+01 1.116852710e+02 1.50 5.091527502e+01 8.768262872e+01 1.034497396e+02 1.52 4.644532961e+01 8.094274498e+01 9.579369469e+01 1.54 4.232606330e+01 7.468503638e+01 8.867383625e+01 1.56 3.853114077e+01 6.887293776e+01 8.205026228e+01 1.58 3.503537549e+01 6.347293184e+01 7.588609222e+01 1.60 3.181546058e+01 5.845431234e+01 7.014737350e+01 1.62 2.884978152e+01 5.378890861e+01 6.480312152e+01 1.64 2.611833590e+01 4.945084137e+01 5.982516928e+01 1.66 2.360270896e+01 4.542031637e+01 5.518775920e+01 1.68 2.128600933e+01 4.168291304e+01 5.086707442e+01 1.70 1.915274912e+01 3.821764010e+01 4.684211611e+01 1.72 1.718870342e+01 3.500471031e+01 4.310047909e+01 1.74 1.538076445e+01 3.202560308e+01 3.962362137e+01 1.76 1.371680172e+01 2.926294230e+01 3.639267310e+01 1.78 1.218557371e+01 2.670053126e+01 3.339023182e+01 1.80 1.077669541e+01 2.432348809e+01 3.060026486e+01 1.82 9.480639675e+00 2.211834499e+01 2.800797080e+01 1.84 8.288735774e+00 2.007299300e+01 2.559962933e+01 1.86 7.193130831e+00 1.817649331e+01 2.336245092e+01 1.88 6.186695772e+00 1.641884901e+01 2.128447660e+01 1.90 5.262896275e+00 1.479078980e+01 1.935453283e+01 1.92 4.415680905e+00 1.328360661e+01 1.756223228e+01 1.94 3.639424627e+00 1.188904698e+01 1.589797579e+01 1.96 2.928900548e+00 1.059926028e+01 1.435290176e+01 1.98 2.279262491e+00 9.406791546e+00 1.291879846e+01 2.00 1.686019534e+00 8.304601217e+00 1.158800939e+01 2.02 1.145005472e+00 7.286097038e+00 1.035337280e+01 2.04 6.523451748e-01 6.345158618e+00 9.208206561e+00 2.06 2.044279625e-01 5.476142019e+00 8.146325433e+00 2.08 -2.021216229e-01 4.673860074e+00 7.162067666e+00 2.10 -5.704664156e-01 3.933547058e+00 6.250287704e+00 2.12 -9.035719235e-01 3.250815207e+00 5.406308848e+00 2.14 -1.204212014e+00 2.621610701e+00 4.625839998e+00 2.16 -1.474970716e+00 2.042180506e+00 3.904877813e+00 2.18 -1.718253686e+00 1.509052083e+00 3.239616992e+00 2.20 -1.936303633e+00 1.019019533e+00 2.626380984e+00 2.22 -2.131221502e+00 5.691298536e-01 2.061600730e+00 2.24 -2.304971174e+00 1.566608226e-01 1.541822216e+00 2.26 -2.459448717e+00 -2.209073569e-01 1.063748201e+00 2.28 -2.596372399e+00 -5.659249613e-01 6.242850229e-01 2.30 -2.717041908e+00 -8.805965351e-01 2.205725877e-01 2.32 -2.822638288e+00 -1.167007756e+00 -1.500067940e-01 2.34 -2.914238371e+00 -1.427133729e+00 -4.898384133e-01 2.36 -2.992829702e+00 -1.662848500e+00 -8.010940350e-01 2.38 -3.059322805e+00 -1.875924196e+00 -1.085757565e+00 2.40 -3.114560573e+00 -2.068028060e+00 -1.345649713e+00 2.42 -3.159178595e+00 -2.240719665e+00 -1.582459530e+00 2.44 -3.193673576e+00 -2.395450742e+00 -1.797772083e+00 2.46 -3.218578454e+00 -2.533623437e+00 -1.993090043e+00 2.48 -3.234456893e+00 -2.656573586e+00 -2.169843635e+00 2.50 -3.241887950e+00 -2.765314490e+00 -2.329387251e+00 2.52 -3.241449596e+00 -2.860805429e+00 -2.472995121e+00 2.54 -3.233706275e+00 -2.943975464e+00 -2.601957763e+00 2.56 -3.219206038e+00 -3.015732238e+00 -2.717253560e+00 2.58 -3.198489091e+00 -3.076968380e+00 -2.819708867e+00 2.60 -3.172106036e+00 -3.128558848e+00 -2.910094197e+00 2.62 -3.140633511e+00 -3.171308221e+00 -2.989134069e+00 2.64 -3.104683514e+00 -3.205803543e+00 -3.057519767e+00 2.66 -3.064894422e+00 -3.232551909e+00 -3.115913272e+00 2.68 -3.021904958e+00 -3.252031741e+00 -3.164954244e+00 2.70 -2.976318327e+00 -3.264684785e+00 -3.205197542e+00 2.72 -2.928669189e+00 -3.270919939e+00 -3.237038420e+00 2.74 -2.879405703e+00 -3.271122029e+00 -3.260874518e+00 2.76 -2.828929396e+00 -3.265660232e+00 -3.277126776e+00 2.78 -2.777489452e+00 -3.254893216e+00 -3.286237011e+00 2.80 -2.725248556e+00 -3.239172110e+00 -3.288669487e+00 2.82 -2.672340122e+00 -3.218838394e+00 -3.284913962e+00 2.84 -2.618879663e+00 -3.194223352e+00 -3.275487598e+00 2.86 -2.564971634e+00 -3.165646099e+00 -3.260930413e+00 2.88 -2.510713618e+00 -3.133412840e+00 -3.241791629e+00 2.90 -2.456190298e+00 -3.097817680e+00 -3.218607728e+00 2.92 -2.401473500e+00 -3.059145354e+00 -3.191877591e+00 2.94 -2.346640859e+00 -3.017675865e+00 -3.162042224e+00 2.96 -2.291768823e+00 -2.973690508e+00 -3.129473668e+00 2.98 -2.236936725e+00 -2.927478083e+00 -3.094482129e+00 3.00 -2.182224794e+00 -2.879371055e+00 -3.057318449e+00 3.02 -2.127713720e+00 -2.829677061e+00 -3.018194719e+00 3.04 -2.073484215e+00 -2.778675341e+00 -2.977296785e+00 3.06 -2.019616400e+00 -2.726654202e+00 -2.934795102e+00 3.08 -1.966188819e+00 -2.673890461e+00 -2.890874902e+00 3.10 -1.913277081e+00 -2.620637289e+00 -2.845702390e+00 3.12 -1.860952266e+00 -2.567111932e+00 -2.799388827e+00 3.14 -1.809279312e+00 -2.513494444e+00 -2.752050911e+00 3.16 -1.758315678e+00 -2.459919594e+00 -2.703808188e+00 3.18 -1.708110446e+00 -2.406485144e+00 -2.654780096e+00 3.20 -1.658704004e+00 -2.353269109e+00 -2.605083405e+00 3.22 -1.610128309e+00 -2.300336884e+00 -2.554831097e+00 3.24 -1.562407700e+00 -2.247745735e+00 -2.504127224e+00 3.26 -1.515560166e+00 -2.195547425e+00 -2.453060651e+00 3.28 -1.469598960e+00 -2.143789551e+00 -2.401714545e+00 3.30 -1.424534386e+00 -2.092516184e+00 -2.350168417e+00 3.32 -1.380375555e+00 -2.041768274e+00 -2.298498228e+00 3.34 -1.337131904e+00 -1.991583976e+00 -2.246777106e+00 3.36 -1.294814242e+00 -1.941998928e+00 -2.195076661e+00 3.38 -1.253435195e+00 -1.893046406e+00 -2.143468840e+00 3.40 -1.213009020e+00 -1.844757149e+00 -2.092028188e+00 3.42 -1.173549886e+00 -1.797160033e+00 -2.040834195e+00 3.44 -1.135074972e+00 -1.750280542e+00 -1.989973265e+00 3.46 -1.097596677e+00 -1.704141382e+00 -1.939539688e+00 3.48 -1.061126218e+00 -1.658761956e+00 -1.889635007e+00 3.50 -1.025671463e+00 -1.614158144e+00 -1.840364402e+00 3.52 -9.912362269e-01 -1.570342178e+00 -1.791835926e+00 3.54 -9.578197230e-01 -1.527322667e+00 -1.744148070e+00 3.56 -9.254161523e-01 -1.485104774e+00 -1.697387620e+00 3.58 -8.940144228e-01 -1.443690565e+00 -1.651622823e+00 3.60 -8.635980433e-01 -1.403079546e+00 -1.606899769e+00 3.62 -8.341452404e-01 -1.363269348e+00 -1.563241404e+00 3.64 -8.056293222e-01 -1.324256527e+00 -1.520649120e+00 3.66 -7.780192712e-01 -1.286037403e+00 -1.479106324e+00 3.68 -7.512805042e-01 -1.248608835e+00 -1.438583148e+00 3.70 -7.253757171e-01 -1.211968822e+00 -1.399041446e+00 3.72 -7.002657331e-01 -1.176116822e+00 -1.360439411e+00 3.74 -6.759102945e-01 -1.141053724e+00 -1.322735387e+00 3.76 -6.522687708e-01 -1.106781470e+00 -1.285890699e+00 3.78 -6.293007880e-01 -1.073302383e+00 -1.249871452e+00 3.80 -6.069668120e-01 -1.040618319e+00 -1.214649437e+00 3.82 -5.852287372e-01 -1.008729799e+00 -1.180202260e+00 3.84 -5.640505386e-01 -9.776352402e-01 -1.146512921e+00 3.86 -5.433990421e-01 -9.473304031e-01 -1.113569012e+00 3.88 -5.232448483e-01 -9.178080845e-01 -1.081361712e+00 3.90 -5.035634087e-01 -8.890580471e-01 -1.049884731e+00 3.92 -4.843358477e-01 -8.610668006e-01 -1.019132715e+00 3.94 -4.655516146e-01 -8.338192799e-01 -9.891028621e-01 3.96 -4.472070861e-01 -8.072969252e-01 -9.597902820e-01 3.98 -4.293077210e-01 -7.814796268e-01 -9.311902273e-01 4.00 -4.118674035e-01 -7.563456835e-01 -9.032969985e-01 4.02 -3.949072953e-01 -7.318721968e-01 -8.761037339e-01 4.04 -3.784536743e-01 -7.080354952e-01 -8.496023283e-01 4.06 -3.625348835e-01 -6.848116100e-01 -8.237834535e-01 4.08 -3.471777328e-01 -6.621768278e-01 -7.986366589e-01 4.10 -3.324038756e-01 -6.401073629e-01 -7.741505321e-01 4.12 -3.182267382e-01 -6.185842033e-01 -7.503128994e-01 4.14 -3.046494828e-01 -5.975875210e-01 -7.271110541e-01 4.16 -2.916642774e-01 -5.771020944e-01 -7.045319944e-01 4.18 -2.792528730e-01 -5.571169861e-01 -6.825626568e-01 4.20 -2.673882634e-01 -5.376262804e-01 -6.611901293e-01 4.22 -2.560370644e-01 -5.186295406e-01 -6.404018250e-01 4.24 -2.451622201e-01 -5.001318335e-01 -6.201856001e-01 4.26 -2.347257032e-01 -4.821431980e-01 -6.005298008e-01 4.28 -2.246909671e-01 -4.646774997e-01 -5.814232284e-01 4.30 -2.150250056e-01 -4.477507153e-01 -5.628550215e-01 4.32 -2.056999446e-01 -4.313788138e-01 -5.448144641e-01 4.34 -1.966941262e-01 -4.155754989e-01 -5.272907372e-01 4.36 -1.879921674e-01 -4.003501301e-01 -5.102726440e-01 4.38 -1.795870121e-01 -3.857061163e-01 -4.937483392e-01 4.40 -1.714761413e-01 -3.716399831e-01 -4.777050932e-01 4.42 -1.636627357e-01 -3.581411812e-01 -4.621291159e-01 4.44 -1.561535334e-01 -3.451925697e-01 -4.470054527e-01 4.46 -1.489569775e-01 -3.327714033e-01 -4.323179529e-01 4.48 -1.420812787e-01 -3.208506101e-01 -4.180493045e-01 4.50 -1.355326221e-01 -3.094001493e-01 -4.041811175e-01 4.52 -1.293131789e-01 -2.983882830e-01 -3.906929022e-01 4.54 -1.234224793e-01 -2.877826569e-01 -3.775669485e-01 4.56 -1.178534424e-01 -2.775511425e-01 -3.647810325e-01 4.58 -1.125950845e-01 -2.676624428e-01 -3.523137634e-01 4.60 -1.076318379e-01 -2.580864943e-01 -3.401433717e-01 4.62 -1.029456194e-01 -2.487947136e-01 -3.282478848e-01 4.64 -9.851699538e-02 -2.397601436e-01 -3.166053359e-01 4.66 -9.432506722e-02 -2.309575516e-01 -3.051940226e-01 4.68 -9.034851006e-02 -2.223635234e-01 -2.939928345e-01 4.70 -8.656641193e-02 -2.139565912e-01 -2.829816673e-01 4.72 -8.295890797e-02 -2.057174212e-01 -2.721419363e-01 4.74 -7.950763153e-02 -1.976290762e-01 -2.614571969e-01 4.76 -7.619601574e-02 -1.896773569e-01 -2.509138664e-01 4.78 -7.300948070e-02 -1.818512103e-01 -2.405020251e-01 4.80 -6.993553587e-02 -1.741424018e-01 -2.302162563e-01 4.82 -6.696381873e-02 -1.665491907e-01 -2.200564571e-01 4.84 -6.408608035e-02 -1.590716577e-01 -2.100285326e-01 4.86 -6.129611995e-02 -1.517154674e-01 -2.001448626e-01 4.88 -5.858966416e-02 -1.444909650e-01 -1.904244260e-01 4.90 -5.596418389e-02 -1.374129081e-01 -1.808924753e-01 4.92 -5.341864393e-02 -1.304998621e-01 -1.715796902e-01 4.94 -5.095318666e-02 -1.237732472e-01 -1.625207939e-01 4.96 -4.856876062e-02 -1.172560780e-01 -1.537526936e-01 4.98 -4.626671561e-02 -1.109714892e-01 -1.453122814e-01 5.00 -4.404839492e-02 -1.049411843e-01 -1.372341089e-01 5.02 -4.191475988e-02 -9.918397405e-02 -1.295481805e-01 5.04 -3.986608101e-02 -9.371456138e-02 -1.222781022e-01 5.06 -3.790172211e-02 -8.854269677e-02 -1.154397717e-01 5.08 -3.602003170e-02 -8.367241661e-02 -1.090407212e-01 5.10 -3.421834249e-02 -7.910254106e-02 -1.030801316e-01 5.12 -3.249306591e-02 -7.482770793e-02 -9.754943745e-02 5.14 -3.083986171e-02 -7.083822264e-02 -9.243291314e-02 5.16 -2.925385584e-02 -6.712100224e-02 -8.770979288e-02 5.18 -2.772988118e-02 -6.366058781e-02 -8.335612697e-02 5.20 -2.626271904e-02 -6.044011065e-02 -7.934523155e-02 5.22 -2.484732440e-02 -5.744214025e-02 -7.564906271e-02 5.24 -2.347902367e-02 -5.464937077e-02 -7.223936483e-02 5.26 -2.215367815e-02 -5.204513124e-02 -6.908856440e-02 5.28 -2.086781048e-02 -4.961372583e-02 -6.617041667e-02 5.30 -1.961869319e-02 -4.734061906e-02 -6.346043164e-02 5.32 -1.840439617e-02 -4.521242515e-02 -6.093611612e-02 5.34 -1.722368991e-02 -4.321708424e-02 -5.857707099e-02 5.36 -1.607623591e-02 -4.134370346e-02 -5.636498106e-02 5.38 -1.496249950e-02 -3.958239499e-02 -5.428353011e-02 5.40 -1.388358981e-02 -3.792415369e-02 -5.231826778e-02 5.42 -1.284114319e-02 -3.636073676e-02 -5.045644936e-02 5.44 -1.183718257e-02 -3.488455526e-02 -4.868686386e-02 5.46 -1.087396013e-02 -3.348858291e-02 -4.699966147e-02 5.48 -9.953791829e-03 -3.216628353e-02 -4.538618782e-02 5.50 -9.078893868e-03 -3.091155602e-02 -4.383882954e-02 5.52 -8.251231196e-03 -2.971869422e-02 -4.235087383e-02 5.54 -7.472387441e-03 -2.858235815e-02 -4.091597734e-02 5.56 -6.743463782e-03 -2.749755346e-02 -3.952973584e-02 5.58 -6.065011641e-03 -2.645961598e-02 -3.818697529e-02 5.60 -5.437000973e-03 -2.546419933e-02 -3.688348195e-02 5.62 -4.858822895e-03 -2.450726389e-02 -3.561546158e-02 5.64 -4.329322614e-03 -2.358506626e-02 -3.437948282e-02 5.66 -3.846856748e-03 -2.269414906e-02 -3.317243167e-02 5.68 -3.409368008e-03 -2.183133102e-02 -3.199147603e-02 5.70 -3.014469958e-03 -2.099369769e-02 -3.083403924e-02 5.72 -2.659535138e-03 -2.017859316e-02 -2.969778212e-02 5.74 -2.341780838e-03 -1.938361336e-02 -2.858059258e-02 5.76 -2.058348172e-03 -1.860660124e-02 -2.748058217e-02 5.78 -1.806371484e-03 -1.784564420e-02 -2.639608886e-02 5.80 -1.583036482e-03 -1.709907374e-02 -2.532568516e-02 5.82 -1.385626568e-03 -1.636546739e-02 -2.426819076e-02 5.84 -1.211557724e-03 -1.564365248e-02 -2.322268847e-02 5.86 -1.058402909e-03 -1.493271120e-02 -2.218854222e-02 5.88 -9.239072823e-04 -1.423198614e-02 -2.116541553e-02 5.90 -8.059957290e-04 -1.354108523e-02 -2.015328859e-02 5.92 -7.027741895e-04 -1.285988491e-02 -1.915247206e-02 5.94 -6.125262095e-04 -1.218851969e-02 -1.816360035e-02 5.96 -5.337059619e-04 -1.152733821e-02 -1.718757186e-02 5.98 -4.649288320e-04 -1.087700660e-02 -1.622571161e-02 6.00 -4.049604608e-04 -1.023843803e-02 -1.527967259e-02