# 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 = Ag3Ni # 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 2.513100814e+02 nan nan 1.16 2.305617317e+02 nan nan 1.18 2.115522898e+02 nan nan 1.20 1.941254088e+02 nan nan 1.22 1.781404394e+02 nan nan 1.24 1.634703779e+02 nan nan 1.26 1.500006541e+02 nan nan 1.28 1.376278574e+02 2.165340072e+02 2.494463994e+02 1.30 1.262583027e+02 2.000502152e+02 2.309325311e+02 1.32 1.158068575e+02 1.848278717e+02 2.138119753e+02 1.34 1.061958604e+02 1.707632227e+02 1.979725770e+02 1.36 9.735405655e+01 1.577620015e+02 1.833125335e+02 1.38 8.921609925e+01 1.457392351e+02 1.697385596e+02 1.40 8.172268936e+01 1.346180579e+02 1.571645435e+02 1.42 7.482055066e+01 1.243282725e+02 1.455112874e+02 1.44 6.846168724e+01 1.148051424e+02 1.347067342e+02 1.46 6.260226646e+01 1.059885928e+02 1.246857045e+02 1.48 5.720193633e+01 9.782298872e+01 1.153889125e+02 1.50 5.222758718e+01 9.025734550e+01 1.067618218e+02 1.52 4.764666395e+01 8.324543573e+01 9.875394582e+01 1.54 4.342779708e+01 7.674541288e+01 9.131867973e+01 1.56 3.954269791e+01 7.071907779e+01 8.441328548e+01 1.58 3.596561007e+01 6.513117548e+01 7.799866750e+01 1.60 3.267275009e+01 5.994897653e+01 7.203894793e+01 1.62 2.964193524e+01 5.514282104e+01 6.650104124e+01 1.64 2.685242545e+01 5.068867339e+01 6.135430985e+01 1.66 2.428491415e+01 4.656097435e+01 5.657039814e+01 1.68 2.192159777e+01 4.273544181e+01 5.212629524e+01 1.70 1.974624885e+01 3.918961858e+01 4.799868298e+01 1.72 1.774419975e+01 3.590276147e+01 4.416451024e+01 1.74 1.590218112e+01 3.285571887e+01 4.060273984e+01 1.76 1.420805916e+01 3.003078511e+01 3.729422527e+01 1.78 1.265058178e+01 2.741159685e+01 3.422143900e+01 1.80 1.121921382e+01 2.498311307e+01 3.136816661e+01 1.82 9.904070016e+00 2.273163172e+01 2.871926061e+01 1.84 8.695914644e+00 2.064474999e+01 2.626047439e+01 1.86 7.586196483e+00 1.871121573e+01 2.397835974e+01 1.88 6.567091254e+00 1.692069636e+01 2.186021880e+01 1.90 5.631516436e+00 1.526353700e+01 1.989411642e+01 1.92 4.773089856e+00 1.373057329e+01 1.806894584e+01 1.94 3.986036957e+00 1.231303378e+01 1.637450209e+01 1.96 3.265086566e+00 1.100253594e+01 1.480149626e+01 1.98 2.605397233e+00 9.791149912e+00 1.334147928e+01 2.00 2.002523602e+00 8.671483048e+00 1.198670893e+01 2.02 1.452397595e+00 7.636739288e+00 1.073002508e+01 2.04 9.512936529e-01 6.680728599e+00 9.564775196e+00 2.06 4.957690081e-01 5.797826874e+00 8.484787019e+00 2.08 8.259266698e-02 4.982903855e+00 7.484358653e+00 2.10 -2.913167844e-01 4.231242780e+00 6.558238902e+00 2.12 -6.289311349e-01 3.538470885e+00 5.701587953e+00 2.14 -9.331264837e-01 2.900509325e+00 4.909921734e+00 2.16 -1.206674812e+00 2.313541827e+00 4.179047252e+00 2.18 -1.452221265e+00 1.773997100e+00 3.504996049e+00 2.20 -1.672256500e+00 1.278539221e+00 2.883964381e+00 2.22 -1.869091861e+00 8.240606630e-01 2.312272423e+00 2.24 -2.044837775e+00 4.076737910e-01 1.786355314e+00 2.26 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2.62 -2.968459908e+00 -2.957578973e+00 -2.787632099e+00 2.64 -2.940243437e+00 -2.993520704e+00 -2.857615497e+00 2.66 -2.907769246e+00 -3.022053502e+00 -2.918362351e+00 2.68 -2.871563720e+00 -3.043825585e+00 -2.970383221e+00 2.70 -2.832157208e+00 -3.059423567e+00 -3.014126031e+00 2.72 -2.790062221e+00 -3.069390682e+00 -3.049997700e+00 2.74 -2.745755608e+00 -3.074491407e+00 -3.078381240e+00 2.76 -2.699664714e+00 -3.074985015e+00 -3.099652392e+00 2.78 -2.652160108e+00 -3.070968197e+00 -3.114194161e+00 2.80 -2.603554942e+00 -3.062574824e+00 -3.122441214e+00 2.82 -2.554109140e+00 -3.049961862e+00 -3.125110519e+00 2.84 -2.504036178e+00 -3.033298323e+00 -3.122460887e+00 2.86 -2.453510771e+00 -3.012758443e+00 -3.114703356e+00 2.88 -2.402676509e+00 -2.988519189e+00 -3.102136246e+00 2.90 -2.351652880e+00 -2.960771009e+00 -3.085122273e+00 2.92 -2.300541297e+00 -2.929726681e+00 -3.064061172e+00 2.94 -2.249429823e+00 -2.895604265e+00 -3.039360666e+00 2.96 -2.198396464e+00 -2.858629465e+00 -3.011410536e+00 2.98 -2.147511173e+00 -2.819040018e+00 -2.980575220e+00 3.00 -2.096836839e+00 -2.777089147e+00 -2.947185520e+00 3.02 -2.046429680e+00 -2.733047185e+00 -2.911519102e+00 3.04 -1.996339418e+00 -2.687200394e+00 -2.873806991e+00 3.06 -1.946609564e+00 -2.639846224e+00 -2.834245285e+00 3.08 -1.897278018e+00 -2.591284938e+00 -2.793007529e+00 3.10 -1.848378050e+00 -2.541808642e+00 -2.750255536e+00 3.12 -1.799939635e+00 -2.491689590e+00 -2.706147384e+00 3.14 -1.751990980e+00 -2.441170118e+00 -2.660842104e+00 3.16 -1.704560056e+00 -2.390456091e+00 -2.614501094e+00 3.18 -1.657675898e+00 -2.339714786e+00 -2.567286740e+00 3.20 -1.611369469e+00 -2.289076923e+00 -2.519359019e+00 3.22 -1.565673984e+00 -2.238641692e+00 -2.470871179e+00 3.24 -1.520624629e+00 -2.188483301e+00 -2.421965573e+00 3.26 -1.476257786e+00 -2.138657706e+00 -2.372770591e+00 3.28 -1.432609872e+00 -2.089208601e+00 -2.323399175e+00 3.30 -1.389716022e+00 -2.040172219e+00 -2.273948976e+00 3.32 -1.347608795e+00 -1.991580806e+00 -2.224503820e+00 3.34 -1.306317079e+00 -1.943464892e+00 -2.175136028e+00 3.36 -1.265865301e+00 -1.895854552e+00 -2.125909130e+00 3.38 -1.226272972e+00 -1.848779874e+00 -2.076880639e+00 3.40 -1.187554569e+00 -1.802270870e+00 -2.028104706e+00 3.42 -1.149719674e+00 -1.756356998e+00 -1.979634517e+00 3.44 -1.112773297e+00 -1.711066489e+00 -1.931524352e+00 3.46 -1.076716266e+00 -1.666425598e+00 -1.883831159e+00 3.48 -1.041545633e+00 -1.622457920e+00 -1.836615464e+00 3.50 -1.007255011e+00 -1.579183821e+00 -1.789941403e+00 3.52 -9.738348177e-01 -1.536620040e+00 -1.743875751e+00 3.54 -9.412724025e-01 -1.494779483e+00 -1.698485892e+00 3.56 -9.095520877e-01 -1.453671169e+00 -1.653836976e+00 3.58 -8.786551300e-01 -1.413300315e+00 -1.609988610e+00 3.60 -8.485596441e-01 -1.373668521e+00 -1.566991641e+00 3.62 -8.192405195e-01 -1.334774030e+00 -1.524885550e+00 3.64 -7.906693651e-01 -1.296612050e+00 -1.483696858e+00 3.66 -7.628145129e-01 -1.259175164e+00 -1.443438739e+00 3.68 -7.356411103e-01 -1.222453837e+00 -1.404111749e+00 3.70 -7.091113303e-01 -1.186437063e+00 -1.365705441e+00 3.72 -6.831847318e-01 -1.151113165e+00 -1.328200532e+00 3.74 -6.578188023e-01 -1.116470743e+00 -1.291571279e+00 3.76 -6.329697192e-01 -1.082499720e+00 -1.255787818e+00 3.78 -6.085933654e-01 -1.049192398e+00 -1.220818279e+00 3.80 -5.846466286e-01 -1.016544375e+00 -1.186630582e+00 3.82 -5.610890019e-01 -9.845551666e-01 -1.153193873e+00 3.84 -5.378844758e-01 -9.532283502e-01 -1.120479601e+00 3.86 -5.150036759e-01 -9.225711397e-01 -1.088462241e+00 3.88 -4.924261439e-01 -8.925933365e-01 -1.057119688e+00 3.90 -4.701425938e-01 -8.633057574e-01 -1.026433356e+00 3.92 -4.481569079e-01 -8.347183343e-01 -9.963880143e-01 3.94 -4.264875861e-01 -8.068381720e-01 -9.669714174e-01 3.96 -4.051683252e-01 -7.796678448e-01 -9.381737580e-01 3.98 -3.842474698e-01 -7.532041954e-01 -9.099870355e-01 4.00 -3.637861476e-01 -7.274377577e-01 -8.824043715e-01 4.02 -3.438550833e-01 -7.023528292e-01 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-3.828741665e-02 -1.389121291e-01 -2.044549982e-01 4.76 -3.598957055e-02 -1.316670651e-01 -1.941518856e-01 4.78 -3.380723019e-02 -1.246308392e-01 -1.840810040e-01 4.80 -3.172699255e-02 -1.177787369e-01 -1.742170579e-01 4.82 -2.973712603e-02 -1.110907202e-01 -1.645400977e-01 4.84 -2.782773285e-02 -1.045517999e-01 -1.550362837e-01 4.86 -2.599083809e-02 -9.815228612e-02 -1.456984341e-01 4.88 -2.422041039e-02 -9.188787525e-02 -1.365263299e-01 4.90 -2.251231717e-02 -8.575955975e-02 -1.275267385e-01 4.92 -2.086411914e-02 -7.977333910e-02 -1.187131235e-01 4.94 -1.927488464e-02 -7.393971478e-02 -1.101050151e-01 4.96 -1.774535842e-02 -6.827296447e-02 -1.017270349e-01 4.98 -1.627739815e-02 -6.279021278e-02 -9.360760121e-02 5.00 -1.487363500e-02 -5.751033780e-02 -8.577737001e-02 5.02 -1.353712650e-02 -5.245277220e-02 -7.826750650e-02 5.04 -1.227100776e-02 -4.763627915e-02 -7.110790513e-02 5.06 -1.107816386e-02 -4.307779127e-02 -6.432549291e-02 5.08 -9.960945229e-03 -3.879135328e-02 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-6.560922454e-05 -2.577002633e-04 -3.857757458e-04 5.82 -5.689681098e-05 -2.234735861e-04 -3.345370718e-04 5.84 -4.936520141e-05 -1.938864160e-04 -2.902441351e-04 5.86 -4.285156248e-05 -1.682988944e-04 -2.519389849e-04 5.88 -3.721580054e-05 -1.461605202e-04 -2.187974532e-04 5.90 -3.233736970e-05 -1.269976091e-04 -1.901103793e-04 5.92 -2.811252474e-05 -1.104024990e-04 -1.652674482e-04 5.94 -2.445195848e-05 -9.602426616e-05 -1.437432910e-04 5.96 -2.127877124e-05 -8.356074620e-05 -1.250855387e-04 5.98 -1.852672648e-05 -7.275167858e-05 -1.089045581e-04 6.00 -1.613875269e-05 -6.337281942e-05 -9.486463798e-05