# 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 = NiZr3 # 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 3.572138339e+02 nan nan 1.16 3.296128227e+02 nan nan 1.18 3.042089541e+02 nan nan 1.20 2.808109755e+02 nan nan 1.22 2.592466530e+02 nan nan 1.24 2.393602452e+02 nan nan 1.26 2.210108137e+02 nan nan 1.28 2.040707886e+02 3.113638913e+02 3.555002075e+02 1.30 1.884248064e+02 2.892522538e+02 3.308394708e+02 1.32 1.739685303e+02 2.687378674e+02 3.079353923e+02 1.34 1.606069264e+02 2.496942019e+02 2.866552319e+02 1.36 1.482524946e+02 2.320075638e+02 2.668779729e+02 1.38 1.368239277e+02 2.155765036e+02 2.484914998e+02 1.40 1.262460559e+02 2.003098568e+02 2.313910151e+02 1.42 1.164502268e+02 1.861234532e+02 2.154787140e+02 1.44 1.073743257e+02 1.729374494e+02 2.006638170e+02 1.46 9.896216956e+01 1.606758738e+02 1.868626196e+02 1.48 9.116306555e+01 1.492677774e+02 1.739983639e+02 1.50 8.393135202e+01 1.386480595e+02 1.620012820e+02 1.52 7.722544322e+01 1.287572926e+02 1.508083058e+02 1.54 7.100706555e+01 1.195410358e+02 1.403622027e+02 1.56 6.524078528e+01 1.109494553e+02 1.306108909e+02 1.58 5.989371558e+01 1.029373392e+02 1.215068704e+02 1.60 5.493513029e+01 9.546391396e+01 1.130065441e+02 1.62 5.033604369e+01 8.849215218e+01 1.050693990e+02 1.64 4.606927984e+01 8.198791104e+01 9.765722274e+01 1.66 4.210982093e+01 7.591926061e+01 9.073389107e+01 1.68 3.843493272e+01 7.025617016e+01 8.426566992e+01 1.70 3.502388827e+01 6.497062429e+01 7.822135439e+01 1.72 3.185748014e+01 6.003669750e+01 7.257209911e+01 1.74 2.891774607e+01 5.543053992e+01 6.729094241e+01 1.76 2.618794516e+01 5.113020172e+01 6.235254428e+01 1.78 2.365270919e+01 4.711545361e+01 5.773316153e+01 1.80 2.129811865e+01 4.336753367e+01 5.341092204e+01 1.82 1.911152107e+01 3.986891995e+01 4.936588032e+01 1.84 1.708129016e+01 3.660299136e+01 4.557991501e+01 1.86 1.519774989e+01 3.355399282e+01 4.203633833e+01 1.88 1.345109763e+01 3.070713185e+01 3.871962732e+01 1.90 1.183162126e+01 2.804874804e+01 3.561529065e+01 1.92 1.033037858e+01 2.556633107e+01 3.270973226e+01 1.94 8.939277450e+00 2.324840260e+01 2.999027794e+01 1.96 7.650998152e+00 2.108429184e+01 2.744512746e+01 1.98 6.458857452e+00 1.906403193e+01 2.506332347e+01 2.00 5.356651918e+00 1.717833509e+01 2.283468554e+01 2.02 4.338494573e+00 1.541922131e+01 2.074972519e+01 2.04 3.398732520e+00 1.377951469e+01 1.879960546e+01 2.06 2.531898292e+00 1.225166398e+01 1.697606832e+01 2.08 1.732733673e+00 1.082848024e+01 1.527211870e+01 2.10 9.962725431e-01 9.503115614e+00 1.368114038e+01 2.12 3.179265785e-01 8.269060345e+00 1.219602226e+01 2.14 -3.064661673e-01 7.120181969e+00 1.080996217e+01 2.16 -8.806705422e-01 6.050802804e+00 9.516546720e+00 2.18 -1.408094414e+00 5.055716312e+00 8.309824946e+00 2.20 -1.891881353e+00 4.130159487e+00 7.184273069e+00 2.22 -2.334984533e+00 3.269708683e+00 6.134819148e+00 2.24 -2.740221271e+00 2.470201481e+00 5.156732577e+00 2.26 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-5.970465824e+00 -5.101177256e+00 -4.457267640e+00 2.64 -5.997764749e+00 -5.249164053e+00 -4.664145888e+00 2.66 -6.017131374e+00 -5.382411617e+00 -4.852818332e+00 2.68 -6.029054657e+00 -5.501818707e+00 -5.024383834e+00 2.70 -6.034023052e+00 -5.608261198e+00 -5.179839748e+00 2.72 -6.032545181e+00 -5.702598947e+00 -5.320102653e+00 2.74 -6.025140999e+00 -5.785673104e+00 -5.446034686e+00 2.76 -6.012331125e+00 -5.858295778e+00 -5.558470024e+00 2.78 -5.994623585e+00 -5.921231838e+00 -5.658235943e+00 2.80 -5.972507788e+00 -5.975200207e+00 -5.746169808e+00 2.82 -5.946226547e+00 -6.020839568e+00 -5.823114486e+00 2.84 -5.915771019e+00 -6.058724277e+00 -5.889911048e+00 2.86 -5.881172572e+00 -6.089379533e+00 -5.947375419e+00 2.88 -5.842523882e+00 -6.113360028e+00 -5.996272127e+00 2.90 -5.799937900e+00 -6.131020960e+00 -6.037292243e+00 2.92 -5.753551741e+00 -6.142692443e+00 -6.071041974e+00 2.94 -5.703522934e+00 -6.148621312e+00 -6.098043821e+00 2.96 -5.650009109e+00 -6.149053811e+00 -6.118793677e+00 2.98 -5.593175951e+00 -6.144242176e+00 -6.133811132e+00 3.00 -5.533171315e+00 -6.134442069e+00 -6.143310105e+00 3.02 -5.470073716e+00 -6.119910048e+00 -6.147506946e+00 3.04 -5.403963448e+00 -6.100892406e+00 -6.146629795e+00 3.06 -5.334939130e+00 -6.077522456e+00 -6.140922170e+00 3.08 -5.263114935e+00 -6.049809118e+00 -6.130645389e+00 3.10 -5.188619245e+00 -6.017766610e+00 -6.116080023e+00 3.12 -5.111594267e+00 -5.981385777e+00 -6.097525958e+00 3.14 -5.032195696e+00 -5.940727014e+00 -6.075296167e+00 3.16 -4.950591452e+00 -5.895889816e+00 -6.049560088e+00 3.18 -4.866958819e+00 -5.847029626e+00 -6.020329821e+00 3.20 -4.781480215e+00 -5.794345062e+00 -5.987660532e+00 3.22 -4.694338790e+00 -5.738072384e+00 -5.951654026e+00 3.24 -4.605715680e+00 -5.678481391e+00 -5.912428979e+00 3.26 -4.515790504e+00 -5.615867005e+00 -5.870115427e+00 3.28 -4.424745761e+00 -5.550491717e+00 -5.824843199e+00 3.30 -4.332774329e+00 -5.482614640e+00 -5.776737152e+00 3.32 -4.240088094e+00 -5.412523688e+00 -5.725915781e+00 3.34 -4.146921116e+00 -5.340519869e+00 -5.672491613e+00 3.36 -4.053548068e+00 -5.266898257e+00 -5.616546878e+00 3.38 -3.960254716e+00 -5.191929889e+00 -5.558110640e+00 3.40 -3.867344889e+00 -5.115846303e+00 -5.497214987e+00 3.42 -3.775116485e+00 -5.038841001e+00 -5.433901294e+00 3.44 -3.683854763e+00 -4.961056741e+00 -5.368218394e+00 3.46 -3.593798176e+00 -4.882600292e+00 -5.300221548e+00 3.48 -3.505141103e+00 -4.803548450e+00 -5.229972681e+00 3.50 -3.418022518e+00 -4.723957167e+00 -5.157534246e+00 3.52 -3.332547956e+00 -4.643869733e+00 -5.083006672e+00 3.54 -3.248765797e+00 -4.563323256e+00 -5.006480341e+00 3.56 -3.166697075e+00 -4.482353277e+00 -4.928079979e+00 3.58 -3.086337662e+00 -4.400996708e+00 -4.847961225e+00 3.60 -3.007665100e+00 -4.319293459e+00 -4.766315916e+00 3.62 -2.930644112e+00 -4.237287140e+00 -4.683374212e+00 3.64 -2.855230928e+00 -4.155025215e+00 -4.599401955e+00 3.66 -2.781376644e+00 -4.072558977e+00 -4.514692433e+00 3.68 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-5.968462774e-02 -1.843746390e-01 -2.673939042e-01 5.82 -5.688901293e-02 -1.782062157e-01 -2.593120522e-01 5.84 -5.424155243e-02 -1.722314588e-01 -2.513741260e-01 5.86 -5.173533758e-02 -1.664317428e-01 -2.435687798e-01 5.88 -4.936236438e-02 -1.607892177e-01 -2.358845302e-01 5.90 -4.711363769e-02 -1.552868823e-01 -2.283098052e-01 5.92 -4.497975055e-02 -1.499086318e-01 -2.208330130e-01 5.94 -4.295111401e-02 -1.446392940e-01 -2.134426339e-01 5.96 -4.101802682e-02 -1.394646629e-01 -2.061273398e-01 5.98 -3.917091271e-02 -1.343715410e-01 -1.988761433e-01 6.00 -3.740052053e-02 -1.293477966e-01 -1.916785802e-01