# 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 = CuZr3 # 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 3.561457430e+02 nan nan 1.16 3.287623522e+02 nan nan 1.18 3.035411529e+02 nan nan 1.20 2.802980991e+02 nan nan 1.22 2.588691719e+02 nan nan 1.24 2.391064454e+02 nan nan 1.26 2.208743085e+02 nan nan 1.28 2.040464898e+02 3.105969912e+02 3.543107945e+02 1.30 1.885050895e+02 2.886388948e+02 3.298743965e+02 1.32 1.741412345e+02 2.682696986e+02 3.071811098e+02 1.34 1.608557278e+02 2.493671659e+02 2.860944227e+02 1.36 1.485591616e+02 2.318180951e+02 2.664890328e+02 1.38 1.371712584e+02 2.155184516e+02 2.482500961e+02 1.40 1.266202189e+02 2.003731440e+02 2.312725730e+02 1.42 1.168419037e+02 1.862944234e+02 2.154607864e+02 1.44 1.077787435e+02 1.732001905e+02 2.007277666e+02 1.46 9.937827135e+01 1.610137811e+02 1.869944055e+02 1.48 9.159211932e+01 1.496648533e+02 1.741884236e+02 1.50 8.437535719e+01 1.390896821e+02 1.622437345e+02 1.52 7.768568409e+01 1.292304440e+02 1.510997161e+02 1.54 7.148313358e+01 1.200341564e+02 1.407001330e+02 1.56 6.573026239e+01 1.114521947e+02 1.309925825e+02 1.58 6.039249436e+01 1.034404790e+02 1.219284055e+02 1.60 5.543812336e+01 9.595955634e+01 1.134626405e+02 1.62 5.083791959e+01 8.897405350e+01 1.055537056e+02 1.64 4.656499797e+01 8.245175508e+01 9.816282977e+01 1.66 4.259493182e+01 7.636277286e+01 9.125382600e+01 1.68 3.890572545e+01 7.067907477e+01 8.479327799e+01 1.70 3.547743774e+01 6.537448010e+01 7.875053949e+01 1.72 3.229161009e+01 6.042459941e+01 7.309743109e+01 1.74 2.933095111e+01 5.580667141e+01 6.780763086e+01 1.76 2.657933844e+01 5.149925191e+01 6.285633073e+01 1.78 2.402204207e+01 4.748197081e+01 5.822022961e+01 1.80 2.164585090e+01 4.373532191e+01 5.387793037e+01 1.82 1.943886993e+01 4.024059028e+01 4.981013751e+01 1.84 1.739055416e+01 3.697972773e+01 4.599964835e+01 1.86 1.549185992e+01 3.393556197e+01 4.243094982e+01 1.88 1.373281058e+01 3.109211734e+01 3.908984958e+01 1.90 1.210366213e+01 2.843493925e+01 3.596317671e+01 1.92 1.059511490e+01 2.595116487e+01 3.303845314e+01 1.94 9.198566316e+00 2.362936098e+01 3.030375903e+01 1.96 7.906110729e+00 2.145918800e+01 2.774758200e+01 1.98 6.710505549e+00 1.943117074e+01 2.535877603e+01 2.00 5.605085679e+00 1.753671176e+01 2.312657159e+01 2.02 4.583630202e+00 1.576872981e+01 2.104062667e+01 2.04 3.640277025e+00 1.411993104e+01 1.909114220e+01 2.06 2.769457538e+00 1.258304453e+01 1.726908788e+01 2.08 1.965893444e+00 1.115105212e+01 1.556705286e+01 2.10 1.224654641e+00 9.817179980e+00 1.397725427e+01 2.12 5.412224776e-01 8.574935468e+00 1.249220262e+01 2.14 -8.848017195e-02 7.418148855e+00 1.110488741e+01 2.16 -6.681324277e-01 6.341079624e+00 9.808872152e+00 2.18 -1.201067050e+00 5.338455850e+00 8.598311670e+00 2.20 -1.690365245e+00 4.405460621e+00 7.467850212e+00 2.22 -2.138931453e+00 3.537633362e+00 6.412616345e+00 2.24 -2.549542929e+00 2.730791431e+00 5.428088937e+00 2.26 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-5.864879422e+00 -4.962212197e+00 -4.292058006e+00 2.64 -5.897397516e+00 -5.115926446e+00 -4.503345346e+00 2.66 -5.922152528e+00 -5.254952678e+00 -4.696372901e+00 2.68 -5.939632354e+00 -5.380199942e+00 -4.872216921e+00 2.70 -5.950345206e+00 -5.492548320e+00 -5.031859242e+00 2.72 -5.954814053e+00 -5.592850656e+00 -5.176210457e+00 2.74 -5.953565291e+00 -5.681924832e+00 -5.306136376e+00 2.76 -5.947114386e+00 -5.760540432e+00 -5.422483346e+00 2.78 -5.935948398e+00 -5.829401038e+00 -5.526097695e+00 2.80 -5.920503030e+00 -5.889149969e+00 -5.617841080e+00 2.82 -5.900889046e+00 -5.940343244e+00 -5.698584223e+00 2.84 -5.877024649e+00 -5.983474208e+00 -5.769197863e+00 2.86 -5.848856146e+00 -6.019030381e+00 -5.830527571e+00 2.88 -5.816366502e+00 -6.047470872e+00 -5.883365799e+00 2.90 -5.779541554e+00 -6.069100341e+00 -5.928428585e+00 2.92 -5.738383037e+00 -6.084241303e+00 -5.966343573e+00 2.94 -5.692916262e+00 -6.093162021e+00 -5.997651250e+00 2.96 -5.643184618e+00 -6.096155887e+00 -6.022909794e+00 2.98 -5.589422337e+00 -6.093540247e+00 -6.042577056e+00 3.00 -5.531684061e+00 -6.085649196e+00 -6.056871293e+00 3.02 -5.469965189e+00 -6.072825406e+00 -6.066025798e+00 3.04 -5.404330066e+00 -6.055387505e+00 -6.070280450e+00 3.06 -5.334905489e+00 -6.033502572e+00 -6.069884364e+00 3.08 -5.261872780e+00 -6.007263150e+00 -6.065096829e+00 3.10 -5.185458942e+00 -5.976752459e+00 -6.056186821e+00 3.12 -5.105927251e+00 -5.942014595e+00 -6.043430875e+00 3.14 -5.023567198e+00 -5.903141494e+00 -6.027093659e+00 3.16 -4.938688271e+00 -5.860238638e+00 -6.007237877e+00 3.18 -4.851618170e+00 -5.813444074e+00 -5.983817185e+00 3.20 -4.762677115e+00 -5.762918009e+00 -5.956820796e+00 3.22 -4.672164677e+00 -5.708841032e+00 -5.926268315e+00 3.24 -4.580354404e+00 -5.651514082e+00 -5.892184608e+00 3.26 -4.487493753e+00 -5.591226356e+00 -5.854600221e+00 3.28 -4.393809686e+00 -5.528085562e+00 -5.813546374e+00 3.30 -4.299518793e+00 -5.462246605e+00 -5.769056896e+00 3.32 -4.204839395e+00 -5.393906787e+00 -5.721203273e+00 3.34 -4.109998560e+00 -5.323293003e+00 -5.670176902e+00 3.36 -4.015254318e+00 -5.250645342e+00 -5.615959397e+00 3.38 -3.920869493e+00 -5.176200441e+00 -5.558535839e+00 3.40 -3.827121460e+00 -5.100176225e+00 -5.497932651e+00 3.42 -3.734280264e+00 -5.022772539e+00 -5.434213656e+00 3.44 -3.642603497e+00 -4.944164695e+00 -5.367475028e+00 3.46 -3.552302956e+00 -4.864514831e+00 -5.297839886e+00 3.48 -3.463548012e+00 -4.783963448e+00 -5.225453396e+00 3.50 -3.376454474e+00 -4.702634587e+00 -5.150471001e+00 3.52 -3.291106564e+00 -4.620640803e+00 -5.073091251e+00 3.54 -3.207533121e+00 -4.538086562e+00 -4.993510963e+00 3.56 -3.125737293e+00 -4.455070112e+00 -4.911963150e+00 3.58 -3.045698607e+00 -4.371684215e+00 -4.828700557e+00 3.60 -2.967379717e+00 -4.288016222e+00 -4.743998043e+00 3.62 -2.890731857e+00 -4.204147965e+00 -4.658153263e+00 3.64 -2.815699134e+00 -4.120155819e+00 -4.571483574e+00 3.66 -2.742221878e+00 -4.036111246e+00 -4.484318235e+00 3.68 -2.670239219e+00 -3.952081987e+00 -4.396986173e+00 3.70 -2.599691038e+00 -3.868134048e+00 -4.309800988e+00 3.72 -2.530519414e+00 -3.784334466e+00 -4.223045889e+00 3.74 -2.462669749e+00 -3.700754773e+00 -4.136961482e+00 3.76 -2.396091711e+00 -3.617474875e+00 -4.051738606e+00 3.78 -2.330740189e+00 -3.534586888e+00 -3.967517021e+00 3.80 -2.266576333e+00 -3.452198275e+00 -3.884389331e+00 3.82 -2.203568762e+00 -3.370433496e+00 -3.802408523e+00 3.84 -2.141694862e+00 -3.289433378e+00 -3.721597184e+00 3.86 -2.080942068e+00 -3.209351673e+00 -3.641956674e+00 3.88 -2.021308906e+00 -3.130348721e+00 -3.563475107e+00 3.90 -1.962805531e+00 -3.052582791e+00 -3.486133582e+00 3.92 -1.905449599e+00 -2.976196224e+00 -3.409904285e+00 3.94 -1.849281458e+00 -2.901323245e+00 -3.334779550e+00 3.96 -1.794336018e+00 -2.828055684e+00 -3.260731791e+00 3.98 -1.740657848e+00 -2.756457929e+00 -3.187743301e+00 4.00 -1.688292467e+00 -2.686561299e+00 -3.115798396e+00 4.02 -1.637282282e+00 -2.618366664e+00 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-5.882297234e-02 -1.803145364e-01 -2.615645993e-01 5.82 -5.612364977e-02 -1.742792082e-01 -2.536536294e-01 5.84 -5.356414169e-02 -1.684335553e-01 -2.458838687e-01 5.86 -5.113775181e-02 -1.627593370e-01 -2.382441944e-01 5.88 -4.883679515e-02 -1.572390739e-01 -2.307233514e-01 5.90 -4.665270834e-02 -1.518561195e-01 -2.233099997e-01 5.92 -4.457654894e-02 -1.465947068e-01 -2.159927819e-01 5.94 -4.259921028e-02 -1.414399830e-01 -2.087604135e-01 5.96 -4.071150420e-02 -1.363780424e-01 -2.016017988e-01 5.98 -3.890437807e-02 -1.313959673e-01 -1.945061778e-01 6.00 -3.716909873e-02 -1.264818842e-01 -1.874633040e-01