# 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--ipr2 # composition = Cu # 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 -6.303448531e+02 nan 0.76 nan nan nan nan nan nan nan nan -5.824734425e+02 nan 0.78 nan nan nan nan nan nan nan nan -5.410462293e+02 nan 0.80 nan nan nan nan nan -4.297415829e+02 nan nan -5.027598025e+02 nan 0.82 nan nan nan nan nan -3.975323148e+02 nan nan -4.639318641e+02 nan 0.84 nan nan nan nan nan -3.653312654e+02 nan nan -4.263227029e+02 nan 0.86 nan nan nan nan nan -3.352601966e+02 nan nan -3.932074902e+02 nan 0.88 nan nan nan nan nan -3.084711916e+02 nan nan -3.637483278e+02 nan 0.90 nan -4.643055323e+02 nan -6.721120845e+02 -6.723829637e+02 -2.864908226e+02 nan nan -3.373394184e+02 -4.703504396e+02 0.92 nan -4.327080372e+02 nan -6.246830673e+02 -6.240544716e+02 -2.677195503e+02 -4.444344694e+02 nan -3.144975830e+02 -4.391034012e+02 0.94 nan -4.041850456e+02 nan -5.831432211e+02 -5.825073330e+02 -2.474685606e+02 -4.165207727e+02 nan -2.940741399e+02 -4.075103018e+02 0.96 nan -3.787074029e+02 nan -5.468316886e+02 -5.471327371e+02 -2.252933643e+02 -3.900444771e+02 nan -2.741358720e+02 -3.763397073e+02 0.98 nan -3.548475036e+02 nan -5.129390873e+02 -5.138367107e+02 -2.038498040e+02 -3.631565139e+02 nan -2.543097799e+02 -3.496714319e+02 1.00 nan -3.321557812e+02 nan -4.803965060e+02 -4.805976027e+02 -1.843229260e+02 -3.365126021e+02 nan -2.357927033e+02 -3.280201343e+02 1.02 -4.489603623e+02 -3.110849531e+02 -4.124459196e+02 -4.506668418e+02 -4.496396014e+02 -1.665806286e+02 -3.124225028e+02 -4.258757815e+02 -2.189902103e+02 -3.085699269e+02 1.04 -4.270242246e+02 -2.916188562e+02 -3.909054925e+02 -4.243455588e+02 -4.225795221e+02 -1.502123635e+02 -2.914964323e+02 -4.035332391e+02 -2.036202542e+02 -2.906561224e+02 1.06 -4.053693882e+02 -2.736538261e+02 -3.693018981e+02 -3.999199259e+02 -3.979611102e+02 -1.349948322e+02 -2.736988691e+02 -3.805990307e+02 -1.896455327e+02 -2.744289342e+02 1.08 -3.820868104e+02 -2.571276617e+02 -3.488301587e+02 -3.767956377e+02 -3.753011993e+02 -1.211377558e+02 -2.589610804e+02 -3.566250922e+02 -1.768802160e+02 -2.578151743e+02 1.10 -3.578849315e+02 -2.413303676e+02 -3.291384849e+02 -3.557769384e+02 -3.554366021e+02 -1.084292423e+02 -2.457591883e+02 -3.327969977e+02 -1.648139817e+02 -2.400215258e+02 1.12 -3.341980525e+02 -2.257779729e+02 -3.089848404e+02 -3.366893840e+02 -3.377678146e+02 -9.623162082e+01 -2.317985291e+02 -3.108975768e+02 -1.530643374e+02 -2.231174481e+02 1.14 -3.124151536e+02 -2.111558270e+02 -2.884463799e+02 -3.179851801e+02 -3.202622490e+02 -8.497863550e+01 -2.165512562e+02 -2.916238113e+02 -1.414318585e+02 -2.089641089e+02 1.16 -2.930461524e+02 -1.984558058e+02 -2.681686453e+02 -2.989392712e+02 -3.018724456e+02 -7.586550348e+01 -2.016254349e+02 -2.744690997e+02 -1.300386897e+02 -1.975556932e+02 1.18 -2.760412142e+02 -1.876820115e+02 -2.496483213e+02 -2.803162952e+02 -2.830408482e+02 -6.961038179e+01 -1.885454043e+02 -2.592027517e+02 -1.191056468e+02 -1.874118312e+02 1.20 -2.615474451e+02 -1.778863922e+02 -2.347464678e+02 -2.632072398e+02 -2.648480868e+02 -6.622274954e+01 -1.774180655e+02 -2.461152541e+02 -1.085349631e+02 -1.770861334e+02 1.22 -2.493771151e+02 -1.682159940e+02 -2.232824234e+02 -2.481866578e+02 -2.484025750e+02 -6.493465683e+01 -1.674701419e+02 -2.347968049e+02 -9.787911124e+01 -1.663197907e+02 1.24 -2.385289697e+02 -1.582899956e+02 -2.132055268e+02 -2.352119466e+02 -2.342448393e+02 -6.412303462e+01 -1.580433577e+02 -2.241336006e+02 -8.687640336e+01 -1.556518857e+02 1.26 -2.277434413e+02 -1.481872604e+02 -2.032171177e+02 -2.236678280e+02 -2.218900249e+02 -6.236336292e+01 -1.490385086e+02 -2.132009103e+02 -7.577122927e+01 -1.453425894e+02 1.28 -2.163766480e+02 -1.384992399e+02 -1.934952214e+02 -2.127326126e+02 -2.104314780e+02 -5.934136072e+01 -1.407127259e+02 -2.018287786e+02 -6.530137711e+01 -1.350017464e+02 1.30 -2.046711870e+02 -1.295079037e+02 -1.841855357e+02 -2.019097491e+02 -1.993881405e+02 -5.557426059e+01 -1.329709027e+02 -1.902689370e+02 -5.617296698e+01 -1.239858655e+02 1.32 -1.930099356e+02 -1.207692350e+02 -1.747324608e+02 -1.912262287e+02 -1.889500591e+02 -5.152545898e+01 -1.251505408e+02 -1.787947706e+02 -4.864092637e+01 -1.119427956e+02 1.34 -1.815365243e+02 -1.120239350e+02 -1.647060623e+02 -1.809912399e+02 -1.795057684e+02 -4.720402778e+01 -1.163884799e+02 -1.677336923e+02 -4.249250941e+01 -9.906698568e+01 1.36 -1.706736339e+02 -1.035017911e+02 -1.547056772e+02 -1.715058676e+02 -1.711034902e+02 -4.261549089e+01 -1.061481116e+02 -1.575786664e+02 -3.733990593e+01 -8.632990209e+01 1.38 -1.607936825e+02 -9.519228398e+01 -1.457541666e+02 -1.627507638e+02 -1.633136013e+02 -3.808149017e+01 -9.464458271e+01 -1.485934829e+02 -3.282512687e+01 -7.494816026e+01 1.40 -1.517156476e+02 -8.681817098e+01 -1.381603245e+02 -1.543510944e+02 -1.555272333e+02 -3.397980001e+01 -8.275212427e+01 -1.406132827e+02 -2.885291135e+01 -6.573280809e+01 1.42 -1.431121232e+02 -7.846670782e+01 -1.312660563e+02 -1.459978296e+02 -1.474511111e+02 -3.037310232e+01 -7.145295169e+01 -1.333238153e+02 -2.554607454e+01 -5.874557514e+01 1.44 -1.352459996e+02 -7.070656087e+01 -1.242884239e+02 -1.377553258e+02 -1.392109484e+02 -2.708490754e+01 -6.130706736e+01 -1.265726907e+02 -2.291738569e+01 -5.336957299e+01 1.46 -1.286224532e+02 -6.375581805e+01 -1.169168723e+02 -1.298988458e+02 -1.311262588e+02 -2.380575341e+01 -5.239863926e+01 -1.202232107e+02 -2.077066437e+01 -4.862450564e+01 1.48 -1.231428256e+02 -5.716396217e+01 -1.093550370e+02 -1.225767684e+02 -1.234050105e+02 -2.024125203e+01 -4.458583186e+01 -1.139408268e+02 -1.892579724e+01 -4.383023945e+01 1.50 -1.179204009e+02 -5.030037147e+01 -1.019773117e+02 -1.156649389e+02 -1.160359197e+02 -1.624944533e+01 -3.776602358e+01 -1.072681296e+02 -1.732337115e+01 -3.896149046e+01 1.52 -1.118312632e+02 -4.307352202e+01 -9.507500829e+01 -1.088731277e+02 -1.088588587e+02 -1.194182273e+01 -3.190611859e+01 -9.993492073e+01 -1.589784700e+01 -3.430650330e+01 1.54 -1.044891542e+02 -3.595036757e+01 -8.867125548e+01 -1.020227969e+02 -1.017657353e+02 -8.276209933e+00 -2.685891771e+01 -9.207130886e+01 -1.450246294e+01 -3.011899640e+01 1.56 -9.633968166e+01 -2.940845506e+01 -8.235649580e+01 -9.508650539e+01 -9.472215852e+01 -5.615982685e+00 -2.232605065e+01 -8.401666209e+01 -1.297669781e+01 -2.655406659e+01 1.58 -8.801415591e+01 -2.351724149e+01 -7.538243683e+01 -8.803787924e+01 -8.764577589e+01 -3.712304863e+00 -1.801117495e+01 -7.600940520e+01 -1.126002726e+01 -2.369062741e+01 1.60 -7.987603530e+01 -1.797062570e+01 -6.713950738e+01 -8.081988448e+01 -8.041343026e+01 -2.338903979e+00 -1.384126355e+01 -6.809719068e+01 -9.489693007e+00 -2.152684720e+01 1.62 -7.196476352e+01 -1.241172197e+01 -5.770109237e+01 -7.340207710e+01 -7.297683130e+01 -1.410981125e+00 -1.005613643e+01 -6.021241120e+01 -7.751483563e+00 -1.988920288e+01 1.64 -6.423005769e+01 -7.552511864e+00 -4.776163296e+01 -6.587469070e+01 -6.548262935e+01 -8.796749813e-01 -7.381242774e+00 -5.240777024e+01 -6.158658953e+00 -1.851815986e+01 1.66 -5.670154350e+01 -3.930214448e+00 -3.809394104e+01 -5.842251828e+01 -5.820791724e+01 -6.313744176e-01 -5.858350892e+00 -4.487683239e+01 -4.779839620e+00 -1.723277663e+01 1.68 -4.943474627e+01 -1.295370932e+00 -2.913870687e+01 -5.116390987e+01 -5.131465052e+01 -5.115959657e-01 -5.112151078e+00 -3.779153581e+01 -3.613155404e+00 -1.596168711e+01 1.70 -4.249516371e+01 2.375901788e-01 -2.104515900e+01 -4.410621726e+01 -4.474856448e+01 -4.397754696e-01 -4.821416684e+00 -3.119750469e+01 -2.646526397e+00 -1.468272754e+01 1.72 -3.590555568e+01 9.053708395e-01 -1.393068295e+01 -3.719544688e+01 -3.831244866e+01 -4.281053168e-01 -4.770483893e+00 -2.498974878e+01 -1.903482449e+00 -1.332393960e+01 1.74 -2.964396401e+01 1.056328531e+00 -7.944976297e+00 -3.041504608e+01 -3.183283494e+01 -4.480920872e-01 -4.823468868e+00 -1.906740456e+01 -1.416459770e+00 -1.180021465e+01 1.76 -2.374038422e+01 9.286246888e-01 -3.914394280e+00 -2.384415541e+01 -2.527383737e+01 -4.782386745e-01 -4.884767229e+00 -1.344013240e+01 -1.172017646e+00 -1.021993845e+01 1.78 -1.820851879e+01 6.653577493e-01 -1.572592656e+00 -1.760179200e+01 -1.875309525e+01 -5.140391058e-01 -4.887759608e+00 -8.165574835e+00 -1.101432350e+00 -8.663438788e+00 1.80 -1.296964078e+01 3.459610882e-01 -1.824537959e-01 -1.178852640e+01 -1.248454204e+01 -5.565899593e-01 -4.805413992e+00 -4.042795536e+00 -1.115570319e+00 -7.130183479e+00 1.82 -7.899188849e+00 1.029848389e-02 6.651859206e-01 -6.585105654e+00 -6.777749826e+00 -6.060029953e-01 -4.625342007e+00 -1.318938520e+00 -1.160246914e+00 -5.599394729e+00 1.84 -3.814129007e+00 -3.279332786e-01 1.156601150e+00 -2.944262749e+00 -2.819486586e+00 -6.627972549e-01 -4.330260839e+00 3.544374159e-01 -1.242492143e+00 -4.135782971e+00 1.86 -1.070778756e+00 -6.664195068e-01 1.370282111e+00 -6.522904112e-01 -4.036031455e-01 -7.285496852e-01 -3.907197575e+00 1.255121920e+00 -1.353831177e+00 -2.877612271e+00 1.88 5.636070929e-01 -9.993954160e-01 1.372161623e+00 6.998747840e-01 9.772163283e-01 -8.045114822e-01 -3.371991490e+00 1.618988808e+00 -1.475717149e+00 -1.926131264e+00 1.90 1.389844668e+00 -1.320043223e+00 1.234385045e+00 1.412613738e+00 1.676611122e+00 -8.891260794e-01 -2.782342153e+00 1.640281981e+00 -1.593247745e+00 -1.290189507e+00 1.92 1.695991054e+00 -1.622874899e+00 1.020107720e+00 1.700545385e+00 1.934330019e+00 -9.779871929e-01 -2.232038564e+00 1.458592369e+00 -1.701738768e+00 -9.214342579e-01 1.94 1.692525015e+00 -1.902700653e+00 7.678984911e-01 1.713286128e+00 1.914474078e+00 -1.066852285e+00 -1.809287970e+00 1.163490159e+00 -1.803614032e+00 -7.609098510e-01 1.96 1.505778595e+00 -2.153960642e+00 4.926680815e-01 1.550821470e+00 1.726026570e+00 -1.154480389e+00 -1.558711683e+00 8.090477126e-01 -1.901051582e+00 -7.502692803e-01 1.98 1.205735734e+00 -2.370344705e+00 1.975614801e-01 1.278565077e+00 1.437548575e+00 -1.243071772e+00 -1.472479448e+00 4.321728362e-01 -1.995804082e+00 -8.199629865e-01 2.00 8.372078052e-01 -2.546969804e+00 -1.159150870e-01 9.420043137e-01 1.091434589e+00 -1.335257734e+00 -1.507971300e+00 6.303688548e-02 -2.088342481e+00 -9.298595587e-01 2.02 4.369782347e-01 -2.683959416e+00 -4.462071722e-01 5.753939339e-01 7.155824450e-01 -1.432830213e+00 -1.610022688e+00 -2.768307532e-01 -2.177798628e+00 -1.090480734e+00 2.04 4.511280678e-02 -2.787850301e+00 -7.914917682e-01 2.069613541e-01 3.311709177e-01 -1.535553040e+00 -1.734547592e+00 -5.793960424e-01 -2.263446298e+00 -1.280615913e+00 2.06 -3.000662870e-01 -2.869137454e+00 -1.149033903e+00 -1.421068575e-01 -4.469595106e-02 -1.641464659e+00 -1.882198097e+00 -8.519439187e-01 -2.345040776e+00 -1.476133770e+00 2.08 -5.849573426e-01 -2.936826023e+00 -1.513395578e+00 -4.632958009e-01 -4.005952094e-01 -1.748292022e+00 -2.051656098e+00 -1.109503385e+00 -2.422527329e+00 -1.662933209e+00 2.10 -8.301533165e-01 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