# 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 = Ag3Ta # 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 3.646253636e+02 nan nan 1.16 3.356180061e+02 nan nan 1.18 3.089734523e+02 nan nan 1.20 2.844816374e+02 nan nan 1.22 2.619557673e+02 nan nan 1.24 2.412287891e+02 nan nan 1.26 2.221494672e+02 nan nan 1.28 2.045793351e+02 3.160410045e+02 3.617635617e+02 1.30 1.883913675e+02 2.928965034e+02 3.358885382e+02 1.32 1.734699076e+02 2.714774718e+02 3.119131092e+02 1.34 1.597104077e+02 2.516435655e+02 2.896844713e+02 1.36 1.470182803e+02 2.332675712e+02 2.690651289e+02 1.38 1.353073387e+02 2.162346282e+02 2.499310735e+02 1.40 1.244984247e+02 2.004409146e+02 2.321693468e+02 1.42 1.145183409e+02 1.857921943e+02 2.156759975e+02 1.44 1.052991105e+02 1.722023116e+02 2.003546227e+02 1.46 9.677775854e+01 1.595917086e+02 1.861153782e+02 1.48 8.889659585e+01 1.478862594e+02 1.728746169e+02 1.50 8.160355758e+01 1.370166390e+02 1.605551638e+02 1.52 7.485214149e+01 1.269181475e+02 1.490867004e+02 1.54 6.860086527e+01 1.175307939e+02 1.384057020e+02 1.56 6.281344479e+01 1.087994961e+02 1.284548416e+02 1.58 5.746074361e+01 1.006742264e+02 1.191821340e+02 1.60 5.251169335e+01 9.310988751e+01 1.105401311e+02 1.62 4.793716708e+01 8.606583725e+01 1.024853033e+02 1.64 4.371364153e+01 7.950519657e+01 9.497753596e+01 1.66 3.981570357e+01 7.339416934e+01 8.797962340e+01 1.68 3.621822519e+01 6.770153696e+01 8.145676416e+01 1.70 3.289758895e+01 6.239932206e+01 7.537616301e+01 1.72 2.983186138e+01 5.746489163e+01 6.970681930e+01 1.74 2.700094847e+01 5.287328303e+01 6.441949893e+01 1.76 2.438662937e+01 4.860092845e+01 5.948881275e+01 1.78 2.197244637e+01 4.462753406e+01 5.489276855e+01 1.80 1.974350495e+01 4.093481864e+01 5.060781894e+01 1.82 1.768625303e+01 3.750372902e+01 4.661315521e+01 1.84 1.578828403e+01 3.431654674e+01 4.289225145e+01 1.86 1.403818336e+01 3.135696270e+01 3.942708091e+01 1.88 1.242541893e+01 2.860990181e+01 3.620050927e+01 1.90 1.094026210e+01 2.606131753e+01 3.319648105e+01 1.92 9.573721780e+00 2.369799452e+01 3.039991438e+01 1.94 8.317484406e+00 2.150739020e+01 2.779669184e+01 1.96 7.163862322e+00 1.947753431e+01 2.537368187e+01 1.98 6.105752098e+00 1.759699154e+01 2.311873293e+01 2.00 5.136595942e+00 1.585487998e+01 2.102062491e+01 2.02 4.250333252e+00 1.424093093e+01 1.906899699e+01 2.04 3.441332210e+00 1.274556873e+01 1.725427656e+01 2.06 2.704300688e+00 1.135998090e+01 1.556762032e+01 2.08 2.034186897e+00 1.007614858e+01 1.400086273e+01 2.10 1.426088205e+00 8.886823207e+00 1.254645811e+01 2.12 8.751886139e-01 7.785456843e+00 1.119740323e+01 2.14 3.767399276e-01 6.766108574e+00 9.947135968e+00 2.16 -7.381314277e-02 5.823350450e+00 8.789418876e+00 2.18 -4.809507006e-01 4.952187956e+00 7.718227251e+00 2.20 -8.491619169e-01 4.147998596e+00 6.727667864e+00 2.22 -1.182570093e+00 3.406483306e+00 5.811952454e+00 2.24 -1.484860140e+00 2.723622480e+00 4.965437744e+00 2.26 -1.759239859e+00 2.095631251e+00 4.182722194e+00 2.28 -2.008280094e+00 1.518914362e+00 3.458767259e+00 2.30 -2.233765783e+00 9.900259026e-01 2.789000407e+00 2.32 -2.437242158e+00 5.056410023e-01 2.169366069e+00 2.34 -2.620118405e+00 6.254926983e-02 1.596313975e+00 2.36 -2.783684073e+00 -3.422020451e-01 1.066737697e+00 2.38 -2.929130842e+00 -7.116745700e-01 5.778881231e-01 2.40 -3.057574474e+00 -1.048851966e+00 1.272853309e-01 2.42 -3.170073480e+00 -1.356459057e+00 -2.873561223e-01 2.44 -3.267643002e+00 -1.636948166e+00 -6.681668377e-01 2.46 -3.351263577e+00 -1.892506188e+00 -1.017095143e+00 2.48 -3.421884938e+00 -2.124945630e+00 -1.336176277e+00 2.50 -3.480425346e+00 -2.335603867e+00 -1.627389926e+00 2.52 -3.527767588e+00 -2.525762749e+00 -1.892619135e+00 2.54 -3.564753853e+00 -2.696704005e+00 -2.133643628e+00 2.56 -3.592182374e+00 -2.849700221e+00 -2.352133843e+00 2.58 -3.610808336e+00 -2.986009754e+00 -2.549650279e+00 2.60 -3.621349884e+00 -3.106870788e+00 -2.727583625e+00 2.62 -3.624497650e+00 -3.213489913e+00 -2.886978288e+00 2.64 -3.620924409e+00 -3.307023335e+00 -3.028790477e+00 2.66 -3.611290944e+00 -3.388553350e+00 -3.153978288e+00 2.68 -3.596245427e+00 -3.459066538e+00 -3.263510949e+00 2.70 -3.576416042e+00 -3.519440508e+00 -3.358372685e+00 2.72 -3.552415426e+00 -3.570442803e+00 -3.439560086e+00 2.74 -3.525094402e+00 -3.612740985e+00 -3.508073719e+00 2.76 -3.494782679e+00 -3.646919546e+00 -3.564906278e+00 2.78 -3.461617265e+00 -3.673498587e+00 -3.611030487e+00 2.80 -3.425751102e+00 -3.692950463e+00 -3.647389748e+00 2.82 -3.387339131e+00 -3.705712578e+00 -3.674893103e+00 2.84 -3.346527999e+00 -3.712196191e+00 -3.694413948e+00 2.86 -3.303449589e+00 -3.712792023e+00 -3.706789929e+00 2.88 -3.258218617e+00 -3.707873729e+00 -3.712820580e+00 2.90 -3.210944570e+00 -3.697800217e+00 -3.713260166e+00 2.92 -3.161738477e+00 -3.682917534e+00 -3.708805594e+00 2.94 -3.110696621e+00 -3.663599442e+00 -3.700082091e+00 2.96 -3.057903103e+00 -3.640242353e+00 -3.687631089e+00 2.98 -3.003433177e+00 -3.613059792e+00 -3.671904437e+00 3.00 -2.947355301e+00 -3.582317616e+00 -3.653266851e+00 3.02 -2.889732059e+00 -3.548378686e+00 -3.632005899e+00 3.04 -2.830620288e+00 -3.511325501e+00 -3.608346687e+00 3.06 -2.770070743e+00 -3.471245702e+00 -3.582626416e+00 3.08 -2.708127672e+00 -3.428253717e+00 -3.555068083e+00 3.10 -2.644828593e+00 -3.382486334e+00 -3.525569012e+00 3.12 -2.580204531e+00 -3.334096924e+00 -3.494059609e+00 3.14 -2.514280922e+00 -3.283237684e+00 -3.460502944e+00 3.16 -2.447079355e+00 -3.230054993e+00 -3.424890153e+00 3.18 -2.378620305e+00 -3.174692550e+00 -3.387235430e+00 3.20 -2.308926972e+00 -3.117303276e+00 -3.347571087e+00 3.22 -2.238030347e+00 -3.058045351e+00 -3.305943026e+00 3.24 -2.165975505e+00 -2.997086515e+00 -3.262410123e+00 3.26 -2.092829009e+00 -2.934610940e+00 -3.217052338e+00 3.28 -2.018687085e+00 -2.870823578e+00 -3.169954723e+00 3.30 -1.943683942e+00 -2.805950991e+00 -3.121200692e+00 3.32 -1.867999335e+00 -2.740238270e+00 -3.070871206e+00 3.34 -1.791864206e+00 -2.673942280e+00 -3.019044316e+00 3.36 -1.715563151e+00 -2.607322115e+00 -2.965795026e+00 3.38 -1.639432540e+00 -2.540628043e+00 -2.911195399e+00 3.40 -1.563853544e+00 -2.474090454e+00 -2.855314859e+00 3.42 -1.489239900e+00 -2.407910241e+00 -2.798220620e+00 3.44 -1.416021098e+00 -2.342251703e+00 -2.739978165e+00 3.46 -1.344622404e+00 -2.277238569e+00 -2.680651672e+00 3.48 -1.275443858e+00 -2.212953251e+00 -2.620304269e+00 3.50 -1.208840532e+00 -2.149438985e+00 -2.558997995e+00 3.52 -1.145106263e+00 -2.086704255e+00 -2.496793435e+00 3.54 -1.084462442e+00 -2.024728806e+00 -2.433749040e+00 3.56 -1.027052684e+00 -1.963470577e+00 -2.369920437e+00 3.58 -9.729432918e-01 -1.902873009e+00 -2.305360057e+00 3.60 -9.221287060e-01 -1.842872357e+00 -2.240117585e+00 3.62 -8.745406597e-01 -1.783404736e+00 -2.174241667e+00 3.64 -8.300595529e-01 -1.724412757e+00 -2.107783143e+00 3.66 -7.885266514e-01 -1.665851629e+00 -2.040799770e+00 3.68 -7.497559567e-01 -1.607694598e+00 -1.973362088e+00 3.70 -7.135449366e-01 -1.549937548e+00 -1.905559796e+00 3.72 -6.796836436e-01 -1.492602538e+00 -1.837507798e+00 3.74 -6.479620465e-01 -1.435739989e+00 -1.769351041e+00 3.76 -6.181756203e-01 -1.379429250e+00 -1.701267301e+00 3.78 -5.901293797e-01 -1.323777294e+00 -1.633467280e+00 3.80 -5.636406231e-01 -1.268915447e+00 -1.566191642e+00 3.82 -5.385406710e-01 -1.214994175e+00 -1.499704958e+00 3.84 -5.146758763e-01 -1.162176238e+00 -1.434286921e+00 3.86 -4.919081445e-01 -1.110628652e+00 -1.370221542e+00 3.88 -4.701151593e-01 -1.060514150e+00 -1.307785295e+00 3.90 -4.491904505e-01 -1.011982844e+00 -1.247235356e+00 3.92 -4.290433860e-01 -9.651648505e-01 -1.188799015e+00 3.94 -4.095991118e-01 -9.201644530e-01 -1.132665217e+00 3.96 -3.907983896e-01 -8.770562139e-01 -1.078978817e+00 3.98 -3.725972592e-01 -8.358832077e-01 -1.027837867e+00 4.00 -3.549663821e-01 -7.966572874e-01 -9.792937935e-01 4.02 -3.378899307e-01 -7.593611239e-01 -9.333541218e-01 4.04 -3.213639051e-01 -7.239516222e-01 -8.899871397e-01 4.06 -3.053938235e-01 -6.903642669e-01 -8.491278511e-01 4.08 -2.899918330e-01 -6.585179610e-01 -8.106845608e-01 4.10 -2.751734086e-01 -6.283199733e-01 -7.745455251e-01 4.12 -2.609539167e-01 -5.996707179e-01 -7.405852254e-01 4.14 -2.473453895e-01 -5.724680983e-01 -7.086699638e-01 4.16 -2.343538592e-01 -5.466113535e-01 -6.786626112e-01 4.18 -2.219775355e-01 -5.220042691e-01 -6.504264459e-01 4.20 -2.102059823e-01 -4.985577333e-01 -6.238281058e-01 4.22 -1.990203160e-01 -4.761916116e-01 -5.987397295e-01 4.24 -1.883942692e-01 -4.548359239e-01 -5.750403947e-01 4.26 -1.782959383e-01 -4.344313185e-01 -5.526169729e-01 4.28 -1.686899138e-01 -4.149288517e-01 -5.313645192e-01 4.30 -1.595395413e-01 -3.962891068e-01 -5.111863064e-01 4.32 -1.508090813e-01 -3.784807355e-01 -4.919935995e-01 4.34 -1.424655930e-01 -3.614785483e-01 -4.737052488e-01 4.36 -1.344804184e-01 -3.452613367e-01 -4.562471671e-01 4.38 -1.268301960e-01 -3.298096409e-01 -4.395517400e-01 4.40 -1.194973605e-01 -3.151036831e-01 -4.235572089e-01 4.42 -1.124701392e-01 -3.011216612e-01 -4.082070525e-01 4.44 -1.057420650e-01 -2.878385384e-01 -3.934493885e-01 4.46 -9.931107473e-02 -2.752253905e-01 -3.792364080e-01 4.48 -9.317828722e-02 -2.632492921e-01 -3.655238526e-01 4.50 -8.734658812e-02 -2.518736613e-01 -3.522705405e-01 4.52 -8.181916603e-02 -2.410589384e-01 -3.394379413e-01 4.54 -7.659814835e-02 -2.307634631e-01 -3.269898263e-01 4.56 -7.168346597e-02 -2.209444243e-01 -3.148919379e-01 4.58 -6.707203743e-02 -2.115587802e-01 -3.031117613e-01 4.60 -6.275733584e-02 -2.025640831e-01 -2.916183405e-01 4.62 -5.872932172e-02 -1.939191729e-01 -2.803821679e-01 4.64 -5.497470583e-02 -1.855847347e-01 -2.693751472e-01 4.66 -5.147744689e-02 -1.775237314e-01 -2.585706360e-01 4.68 -4.821941840e-02 -1.697017390e-01 -2.479435720e-01 4.70 -4.518113028e-02 -1.620872150e-01 -2.374706883e-01 4.72 -4.234228357e-02 -1.546517288e-01 -2.271308186e-01 4.74 -3.968304783e-02 -1.473701816e-01 -2.169052919e-01 4.76 -3.718430805e-02 -1.402210333e-01 -2.067784089e-01 4.78 -3.482806764e-02 -1.331865445e-01 -1.967379865e-01 4.80 -3.259787326e-02 -1.262530314e-01 -1.867759456e-01 4.82 -3.047912274e-02 -1.194111291e-01 -1.768889071e-01 4.84 -2.845926801e-02 -1.126560127e-01 -1.670787487e-01 4.86 -2.652792507e-02 -1.059875793e-01 -1.573530642e-01 4.88 -2.467690066e-02 -9.941051877e-02 -1.477254586e-01 4.90 -2.290014254e-02 -9.293424277e-02 -1.382156106e-01 4.92 -2.119352015e-02 -8.657262727e-02 -1.288490378e-01 4.94 -1.955462814e-02 -8.034353751e-02 -1.196565202e-01 4.96 -1.798293010e-02 -7.426811998e-02 -1.106731584e-01 4.98 -1.647917633e-02 -6.836987532e-02 -1.019370846e-01 5.00 -1.504504565e-02 -6.267354742e-02 -9.348788225e-02 5.02 -1.368277943e-02 -5.720388942e-02 -8.536481057e-02 5.04 -1.239481540e-02 -5.198439726e-02 -7.760496444e-02 5.06 -1.118344417e-02 -4.703610695e-02 -7.024151452e-02 5.08 -1.005051047e-02 -4.237645180e-02 -6.330217352e-02 5.10 -8.997177091e-03 -3.801836534e-02 -5.680800592e-02 5.12 -8.023763079e-03 -3.397039237e-02 -5.077266385e-02 5.14 -7.129660342e-03 -3.023601771e-02 -4.520210030e-02 5.16 -6.313324966e-03 -2.681372169e-02 -4.009472535e-02 5.18 -5.572333302e-03 -2.369734973e-02 -3.544196067e-02 5.20 -4.903488343e-03 -2.087651900e-02 -3.122882766e-02 5.22 -4.302959861e-03 -1.833739032e-02 -2.743507495e-02 5.24 -3.766441882e-03 -1.606409633e-02 -2.403742565e-02 5.26 -3.289312985e-03 -1.403886831e-02 -2.100961764e-02 5.28 -2.866787885e-03 -1.224276752e-02 -1.832347077e-02 5.30 -2.494052177e-03 -1.065636181e-02 -1.595030535e-02 5.32 -2.166375504e-03 -9.260291845e-03 -1.386145030e-02 5.34 -1.879201229e-03 -8.035720982e-03 -1.202891986e-02 5.36 -1.628212986e-03 -6.964672357e-03 -1.042594673e-02 5.38 -1.409379987e-03 -6.030263677e-03 -9.027354427e-03 5.40 -1.218983902e-03 -5.216853808e-03 -7.809791720e-03 5.42 -1.053630520e-03 -4.510116822e-03 -6.751854087e-03 5.44 -9.102494255e-04 -3.897058933e-03 -5.834116415e-03 5.46 -7.860847004e-04 -3.365992538e-03 -5.039099154e-03 5.48 -6.786792990e-04 -2.906479695e-03 -4.351187108e-03 5.50 -5.858552920e-04 -2.509255326e-03 -3.756516738e-03 5.52 -5.056917615e-04 -2.166138382e-03 -3.242844663e-03 5.54 -4.365017122e-04 -1.869937303e-03 -2.799406226e-03 5.56 -3.768090117e-04 -1.614354493e-03 -2.416776816e-03 5.58 -3.253260763e-04 -1.393893159e-03 -2.086727079e-03 5.60 -2.809327807e-04 -1.203768760e-03 -1.802094580e-03 5.62 -2.426568784e-04 -1.039826478e-03 -1.556659387e-03 5.64 -2.096560846e-04 -8.984654497e-04 -1.345030745e-03 5.66 -1.812018654e-04 -7.765700626e-04 -1.162544285e-03 5.68 -1.566649071e-04 -6.714482502e-04 -1.005169684e-03 5.70 -1.355021917e-04 -5.807765275e-04 -8.694284039e-04 5.72 -1.172455728e-04 -5.025513497e-04 -7.523208840e-04 5.74 -1.014917320e-04 -4.350463044e-04 -6.512624613e-04 5.76 -8.789338688e-05 -3.767746087e-04 -5.640272284e-04 5.78 -7.615162335e-05 -3.264563810e-04 -4.886990376e-04 5.80 -6.600922959e-05 -2.829901694e-04 -4.236288763e-04 5.82 -5.724491498e-05 -2.454282499e-04 -3.673978856e-04 5.84 -4.966830766e-05 -2.129552423e-04 -3.187853456e-04 5.86 -4.311563360e-05 -1.848696334e-04 -2.767410115e-04 5.88 -3.744598969e-05 -1.605678345e-04 -2.403612468e-04 5.90 -3.253813311e-05 -1.395304452e-04 -2.088684567e-04 5.92 -2.828771818e-05 -1.213104282e-04 -1.815933844e-04 5.94 -2.460492014e-05 -1.055229385e-04 -1.579598834e-04 5.96 -2.141239284e-05 -9.183658064e-05 -1.374718280e-04 5.98 -1.864351440e-05 -7.996589704e-05 -1.197018675e-04 6.00 -1.624088058e-05 -6.966491671e-05 -1.042817673e-04