# 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 = Au3Co # 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 3.610922540e+02 nan nan 1.16 3.323187794e+02 nan nan 1.18 3.058945437e+02 nan nan 1.20 2.816046667e+02 nan nan 1.22 2.592586463e+02 nan nan 1.24 2.386868436e+02 nan nan 1.26 2.197368566e+02 nan nan 1.28 2.022712226e+02 3.131102458e+02 3.589530472e+02 1.30 1.861649345e+02 2.901549445e+02 3.332683994e+02 1.32 1.713031527e+02 2.688988359e+02 3.094621775e+02 1.34 1.575809068e+02 2.492049861e+02 2.873813809e+02 1.36 1.449039261e+02 2.309484036e+02 2.668869350e+02 1.38 1.331881186e+02 2.140143050e+02 2.478542290e+02 1.40 1.223572162e+02 1.982976234e+02 2.301720462e+02 1.42 1.123404915e+02 1.837029593e+02 2.137394757e+02 1.44 1.030720823e+02 1.701445387e+02 1.984629757e+02 1.46 9.449138903e+01 1.575455185e+02 1.842552242e+02 1.48 8.654321384e+01 1.458361118e+02 1.710351245e+02 1.50 7.917713219e+01 1.349513072e+02 1.587278334e+02 1.52 7.234659391e+01 1.248295845e+02 1.472644919e+02 1.54 6.600848122e+01 1.154129089e+02 1.365817885e+02 1.56 6.012324528e+01 1.066471605e+02 1.266215677e+02 1.58 5.465517921e+01 9.848233385e+01 1.173305786e+02 1.60 4.958284341e+01 9.087251477e+01 1.086602014e+02 1.62 4.491463514e+01 8.377583433e+01 1.005660378e+02 1.64 4.062417535e+01 7.715440049e+01 9.300747430e+01 1.66 3.668286145e+01 7.097404498e+01 8.594729965e+01 1.68 3.306374483e+01 6.520377830e+01 7.935124966e+01 1.70 2.974137748e+01 5.981508830e+01 7.318742226e+01 1.72 2.669190567e+01 5.478140592e+01 6.742578185e+01 1.74 2.389326510e+01 5.008246576e+01 6.203797220e+01 1.76 2.132528907e+01 4.572709759e+01 5.699738272e+01 1.78 1.896966389e+01 4.169753198e+01 5.227926391e+01 1.80 1.680975559e+01 3.796994183e+01 4.787887963e+01 1.82 1.483036631e+01 3.452197003e+01 4.379673160e+01 1.84 1.301747655e+01 3.133281551e+01 4.001063232e+01 1.86 1.135802450e+01 2.838322139e+01 3.649986239e+01 1.88 9.839773307e+00 2.565552246e+01 3.324558610e+01 1.90 8.451291049e+00 2.313365071e+01 3.023045420e+01 1.92 7.182004686e+00 2.080304157e+01 2.743816146e+01 1.94 6.022248958e+00 1.865043534e+01 2.485314998e+01 1.96 4.963257046e+00 1.666361432e+01 2.246055031e+01 1.98 3.997095250e+00 1.483114585e+01 2.024629234e+01 2.00 3.116572383e+00 1.314219529e+01 1.819724532e+01 2.02 2.315149081e+00 1.158643750e+01 1.630129057e+01 2.04 1.586855832e+00 1.015405629e+01 1.454730785e+01 2.06 9.262182327e-01 8.835794701e+00 1.292510381e+01 2.08 3.281861083e-01 7.623011311e+00 1.142531926e+01 2.10 -2.119342498e-01 6.507710335e+00 1.003934250e+01 2.12 -6.985420766e-01 5.482535737e+00 8.759239231e+00 2.14 -1.135793199e+00 4.540736436e+00 7.577696427e+00 2.16 -1.527633791e+00 3.676115966e+00 6.487970579e+00 2.18 -1.877811691e+00 2.882978574e+00 5.483831476e+00 2.20 -2.189865420e+00 2.156079525e+00 4.559497683e+00 2.22 -2.467099289e+00 1.490582886e+00 3.709566449e+00 2.24 -2.712558872e+00 8.820267412e-01 2.928947376e+00 2.26 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2.62 -3.858342027e+00 -3.899118820e+00 -3.673726226e+00 2.64 -3.813165177e+00 -3.941488919e+00 -3.765471108e+00 2.66 -3.762402018e+00 -3.973536349e+00 -3.843210022e+00 2.68 -3.706718027e+00 -3.996337149e+00 -3.907925327e+00 2.70 -3.646797568e+00 -4.010928611e+00 -3.960474065e+00 2.72 -3.583320953e+00 -4.017921220e+00 -4.001657295e+00 2.74 -3.516940406e+00 -4.017727069e+00 -4.032230506e+00 2.76 -3.448259695e+00 -4.010686688e+00 -4.052941045e+00 2.78 -3.377820194e+00 -3.997136153e+00 -4.064721306e+00 2.80 -3.306093987e+00 -3.977417981e+00 -4.068093207e+00 2.82 -3.233483402e+00 -3.951879307e+00 -4.063505479e+00 2.84 -3.160325686e+00 -3.920864668e+00 -4.051424642e+00 2.86 -3.086901005e+00 -3.884702771e+00 -4.032391518e+00 2.88 -3.013441617e+00 -3.843716124e+00 -4.007018042e+00 2.90 -2.940140406e+00 -3.798230436e+00 -3.975960545e+00 2.92 -2.867157913e+00 -3.748576369e+00 -3.939883635e+00 2.94 -2.794627992e+00 -3.695091949e+00 -3.899407044e+00 2.96 -2.722662618e+00 -3.638126670e+00 -3.855091707e+00 2.98 -2.651356224e+00 -3.578046235e+00 -3.807434448e+00 3.00 -2.580789568e+00 -3.515236238e+00 -3.756861324e+00 3.02 -2.511032894e+00 -3.450102678e+00 -3.703731340e+00 3.04 -2.442148267e+00 -3.383067402e+00 -3.648346784e+00 3.06 -2.374191084e+00 -3.314557721e+00 -3.590966070e+00 3.08 -2.307210976e+00 -3.244991161e+00 -3.531815968e+00 3.10 -2.241252336e+00 -3.174758174e+00 -3.471101497e+00 3.12 -2.176354683e+00 -3.104206513e+00 -3.409012937e+00 3.14 -2.112552989e+00 -3.033630594e+00 -3.345730190e+00 3.16 -2.049878015e+00 -2.963267556e+00 -3.281425062e+00 3.18 -1.988356634e+00 -2.893299824e+00 -3.216262108e+00 3.20 -1.928012116e+00 -2.823862463e+00 -3.150398621e+00 3.22 -1.868864326e+00 -2.755053028e+00 -3.083984196e+00 3.24 -1.810929850e+00 -2.686941759e+00 -3.017160179e+00 3.26 -1.754222076e+00 -2.619580662e+00 -2.950059239e+00 3.28 -1.698751269e+00 -2.553010705e+00 -2.882805178e+00 3.30 -1.644524701e+00 -2.487266976e+00 -2.815513115e+00 3.32 -1.591546856e+00 -2.422382024e+00 -2.748290083e+00 3.34 -1.539819693e+00 -2.358387749e+00 -2.681236114e+00 3.36 -1.489342955e+00 -2.295316248e+00 -2.614445808e+00 3.38 -1.440114435e+00 -2.233199955e+00 -2.548010354e+00 3.40 -1.392130194e+00 -2.172071353e+00 -2.482019866e+00 3.42 -1.345384662e+00 -2.111962429e+00 -2.416565803e+00 3.44 -1.299870646e+00 -2.052904007e+00 -2.351743103e+00 3.46 -1.255579249e+00 -1.994925049e+00 -2.287651551e+00 3.48 -1.212499736e+00 -1.938051971e+00 -2.224395914e+00 3.50 -1.170619379e+00 -1.882308020e+00 -2.162084431e+00 3.52 -1.129923312e+00 -1.827712747e+00 -2.100825593e+00 3.54 -1.090394400e+00 -1.774281588e+00 -2.040723457e+00 3.56 -1.052013146e+00 -1.722025574e+00 -1.981872224e+00 3.58 -1.014757630e+00 -1.670951165e+00 -1.924351006e+00 3.60 -9.786034784e-01 -1.621060221e+00 -1.868219721e+00 3.62 -9.435238641e-01 -1.572350095e+00 -1.813516808e+00 3.64 -9.094895403e-01 -1.524813842e+00 -1.760259021e+00 3.66 -8.764689083e-01 -1.478440531e+00 -1.708443116e+00 3.68 -8.444281237e-01 -1.433215649e+00 -1.658048934e+00 3.70 -8.133312512e-01 -1.389121562e+00 -1.609043262e+00 3.72 -7.831404748e-01 -1.346138012e+00 -1.561383851e+00 3.74 -7.538163803e-01 -1.304242638e+00 -1.515023156e+00 3.76 -7.253183235e-01 -1.263411459e+00 -1.469911498e+00 3.78 -6.976049032e-01 -1.223619327e+00 -1.425999532e+00 3.80 -6.706345589e-01 -1.184840323e+00 -1.383240025e+00 3.82 -6.443663101e-01 -1.147048076e+00 -1.341589026e+00 3.84 -6.187606496e-01 -1.110216015e+00 -1.301006524e+00 3.86 -5.937805925e-01 -1.074317553e+00 -1.261456726e+00 3.88 -5.693928667e-01 -1.039326203e+00 -1.222908056e+00 3.90 -5.455692018e-01 -1.005215639e+00 -1.185332944e+00 3.92 -5.222876438e-01 -9.719597120e-01 -1.148707490e+00 3.94 -4.995337855e-01 -9.395324406e-01 -1.113011030e+00 3.96 -4.773017498e-01 -9.079079694e-01 -1.078225644e+00 3.98 -4.555947607e-01 -8.770605504e-01 -1.044335643e+00 4.00 -4.344251009e-01 -8.469645494e-01 -1.011327039e+00 4.02 -4.138133033e-01 -8.175945182e-01 -9.791870409e-01 4.04 -3.937864891e-01 -7.889253600e-01 -9.479035761e-01 4.06 -3.743758829e-01 -7.609326199e-01 -9.174648714e-01 4.08 -3.556136788e-01 -7.335929192e-01 -8.878590912e-01 4.10 -3.375295709e-01 -7.068845464e-01 -8.590740451e-01 4.12 -3.201473583e-01 -6.807882104e-01 -8.310969657e-01 4.14 -3.034820634e-01 -6.552878902e-01 -8.039143514e-01 4.16 -2.875379397e-01 -6.303717774e-01 -7.775118679e-01 4.18 -2.723076130e-01 -6.060331792e-01 -7.518742996e-01 4.20 -2.577724236e-01 -5.822712812e-01 -7.269855387e-01 4.22 -2.439038786e-01 -5.590916226e-01 -7.028286040e-01 4.24 -2.306659523e-01 -5.365061376e-01 -6.793856781e-01 4.26 -2.180179623e-01 -5.145326379e-01 -6.566381554e-01 4.28 -2.059176671e-01 -4.931936646e-01 -6.345666944e-01 4.30 -1.943242941e-01 -4.725147264e-01 -6.131512686e-01 4.32 -1.832012383e-01 -4.525220419e-01 -5.923712123e-01 4.34 -1.725182306e-01 -4.332399997e-01 -5.722052596e-01 4.36 -1.622528151e-01 -4.146886233e-01 -5.526315741e-01 4.38 -1.523910368e-01 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-4.452454184e-02 -1.768197379e-01 -2.606583957e-01 4.76 -4.164133559e-02 -1.677641833e-01 -2.477193446e-01 4.78 -3.892340631e-02 -1.588342539e-01 -2.348794146e-01 4.80 -3.635037127e-02 -1.500193737e-01 -2.221356890e-01 4.82 -3.390487894e-02 -1.413148389e-01 -2.094920879e-01 4.84 -3.157264797e-02 -1.327221350e-01 -1.969601207e-01 4.86 -2.934241112e-02 -1.242491179e-01 -1.845593909e-01 4.88 -2.720577710e-02 -1.159099633e-01 -1.723177459e-01 4.90 -2.515701825e-02 -1.077248294e-01 -1.602709709e-01 4.92 -2.319278984e-02 -9.971917971e-02 -1.484619528e-01 4.94 -2.131178701e-02 -9.192275025e-02 -1.369392864e-01 4.96 -1.951416339e-02 -8.436818173e-02 -1.257553574e-01 4.98 -1.780132916e-02 -7.708938565e-02 -1.149640027e-01 5.00 -1.617571806e-02 -7.011975520e-02 -1.046179172e-01 5.02 -1.464004218e-02 -6.349036237e-02 -9.476601848e-02 5.04 -1.319686905e-02 -5.722829443e-02 -8.545100227e-02 5.06 -1.184825551e-02 -5.135526984e-02 -7.670730245e-02 5.08 -1.059545863e-02 -4.588664246e-02 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-3.777781740e-03 -5.656705964e-03 5.46 -7.764574696e-04 -3.250552157e-03 -4.867252227e-03 5.48 -6.690555912e-04 -2.796569767e-03 -4.187468456e-03 5.50 -5.764645932e-04 -2.405922916e-03 -3.602518495e-03 5.52 -4.966888905e-04 -2.069950366e-03 -3.099436040e-03 5.54 -4.279853863e-04 -1.781110120e-03 -2.666928505e-03 5.56 -3.688363049e-04 -1.532854363e-03 -2.295193491e-03 5.58 -3.179235963e-04 -1.319512736e-03 -1.975739562e-03 5.60 -2.741052444e-04 -1.136185158e-03 -1.701229327e-03 5.62 -2.363936433e-04 -9.786446959e-04 -1.465333253e-03 5.64 -2.039360811e-04 -8.432504472e-04 -1.262599290e-03 5.66 -1.759972880e-04 -7.268700696e-04 -1.088336907e-03 5.68 -1.519439478e-04 -6.268113747e-04 -9.385146774e-04 5.70 -1.312310375e-04 -5.407622690e-04 -8.096703537e-04 5.72 -1.133898426e-04 -4.667382815e-04 -6.988322961e-04 5.74 -9.801748751e-05 -4.030369013e-04 -6.034510958e-04 5.76 -8.476782318e-05 -3.481979735e-04 -5.213402691e-04 5.78 -7.334352048e-05 -3.009694478e-04 -4.506249652e-04 5.80 -6.348922673e-05 -2.602778228e-04 -3.896977059e-04 5.82 -5.498565525e-05 -2.252026921e-04 -3.371802689e-04 5.84 -4.764448966e-05 -1.949548581e-04 -2.918909112e-04 5.86 -4.130399696e-05 -1.688575362e-04 -2.528162237e-04 5.88 -3.582525534e-05 -1.463302314e-04 -2.190869851e-04 5.90 -3.108891353e-05 -1.268749181e-04 -1.899574668e-04 5.92 -2.699240916e-05 -1.100642017e-04 -1.647877048e-04 5.94 -2.344758220e-05 -9.553118287e-05 -1.430283218e-04 5.96 -2.037862857e-05 -8.296078279e-05 -1.242075366e-04 5.98 -1.772034577e-05 -7.208232011e-05 -1.079200488e-04 6.00 -1.541662936e-05 -6.266316015e-05 -9.381752838e-05