# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Mahata-A-Mukhopadhyay-T-Asle-Zaeem-M--Al-Ni # implementation = 2022--Mahata-A--Al-Ni--LAMMPS--ipr1 # composition = Al # 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 2022-05-24 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan 8.568641712e+01 nan nan nan nan 0.72 nan nan nan nan nan 8.170106463e+01 nan nan nan nan 0.74 nan nan nan nan nan 7.788449530e+01 nan nan 1.057018724e+02 nan 0.76 nan nan nan nan nan 7.422974577e+01 nan nan 9.994196083e+01 nan 0.78 nan nan nan nan nan 7.073014390e+01 nan nan 9.446742431e+01 nan 0.80 nan 1.866439450e+02 nan nan nan 6.737929599e+01 nan nan 8.926460393e+01 nan 0.82 nan 1.769176076e+02 nan nan nan 6.417107461e+01 1.379295052e+02 nan 8.432049045e+01 1.067697255e+02 0.84 nan 1.676552726e+02 nan nan nan 6.109960702e+01 1.307444431e+02 nan 7.962269297e+01 1.013581730e+02 0.86 nan 1.588355997e+02 nan nan nan 5.815926405e+01 1.238998130e+02 nan 7.515940928e+01 9.619259844e+01 0.88 nan 1.504382358e+02 1.796207919e+02 nan nan 5.534464962e+01 1.173801319e+02 nan 7.091939759e+01 9.126230972e+01 0.90 1.708910283e+02 1.424437669e+02 1.709596690e+02 1.710868098e+02 1.712825913e+02 5.265059065e+01 1.111706094e+02 1.642093940e+02 6.689194963e+01 8.655707213e+01 0.92 1.629993212e+02 1.348336719e+02 1.626778795e+02 1.631911954e+02 1.633830695e+02 5.007212750e+01 1.052571173e+02 1.564322924e+02 6.306686514e+01 8.206708895e+01 0.94 1.554363386e+02 1.275902798e+02 1.547596778e+02 1.556243728e+02 1.558124069e+02 4.760450480e+01 9.962615976e+01 1.489873317e+02 5.943442756e+01 7.778298266e+01 0.96 1.481891661e+02 1.206967287e+02 1.471899502e+02 1.483734265e+02 1.485576868e+02 4.524316276e+01 9.426484520e+01 1.418611056e+02 5.598538090e+01 7.369577706e+01 0.98 1.412453775e+02 1.141369269e+02 1.399541896e+02 1.414259294e+02 1.416064813e+02 4.298372880e+01 8.916085951e+01 1.350407312e+02 5.271090780e+01 6.979688012e+01 1.00 1.345930176e+02 1.078955164e+02 1.330384724e+02 1.347699252e+02 1.349468329e+02 4.082200965e+01 8.430244021e+01 1.285138291e+02 4.960260860e+01 6.607806751e+01 1.02 1.282205841e+02 1.019578381e+02 1.264294350e+02 1.283939107e+02 1.285672373e+02 3.875398372e+01 7.967835191e+01 1.222685042e+02 4.665248144e+01 6.253146698e+01 1.04 1.221170113e+02 9.630989909e+01 1.201142521e+02 1.222868191e+02 1.224566270e+02 3.677579388e+01 7.527786278e+01 1.162933270e+02 4.385290337e+01 5.914954328e+01 1.06 1.162716538e+02 9.093834091e+01 1.140806154e+02 1.164380042e+02 1.166043546e+02 3.488374054e+01 7.109072216e+01 1.105773155e+02 4.119661230e+01 5.592508379e+01 1.08 1.106742713e+02 8.583041041e+01 1.083167137e+02 1.108372245e+02 1.110001778e+02 3.307427503e+01 6.710713907e+01 1.051099183e+02 3.867668991e+01 5.285118474e+01 1.10 1.053150129e+02 8.097393141e+01 1.028112127e+02 1.054746285e+02 1.056342441e+02 3.134399330e+01 6.331776174e+01 9.988099810e+01 3.628654528e+01 4.992123807e+01 1.12 1.001844036e+02 7.635727804e+01 9.755323656e+01 1.003407400e+02 1.004970763e+02 2.968962986e+01 5.971365804e+01 9.488081537e+01 3.401989946e+01 4.712891880e+01 1.14 9.527332975e+01 7.196934939e+01 9.253235001e+01 9.542644441e+01 9.557955908e+01 2.810805203e+01 5.628629674e+01 9.010001350e+01 3.187077060e+01 4.446817295e+01 1.16 9.057302571e+01 6.779954538e+01 8.773854058e+01 9.072297536e+01 9.087292501e+01 2.659625443e+01 5.302752969e+01 8.552960384e+01 2.983345997e+01 4.193320601e+01 1.18 8.607506119e+01 6.383774386e+01 8.316220219e+01 8.622190160e+01 8.636874200e+01 2.515135369e+01 4.992957470e+01 8.116095162e+01 2.790253853e+01 3.951847189e+01 1.20 8.177132864e+01 6.007427881e+01 7.879411896e+01 8.191511470e+01 8.205890076e+01 2.377058342e+01 4.698499924e+01 7.698576232e+01 2.607283418e+01 3.721866232e+01 1.22 7.765403127e+01 5.649991963e+01 7.462544987e+01 7.779481701e+01 7.793560274e+01 2.245128939e+01 4.418670488e+01 7.299606855e+01 2.433941968e+01 3.502869671e+01 1.24 7.371567150e+01 5.310585138e+01 7.064771387e+01 7.385351009e+01 7.399134868e+01 2.119092489e+01 4.152791237e+01 6.918421749e+01 2.269760101e+01 3.294371250e+01 1.26 6.994903983e+01 4.988365602e+01 6.685277563e+01 7.008398361e+01 7.021892739e+01 1.998704636e+01 3.900214742e+01 6.554285874e+01 2.114290648e+01 3.095905583e+01 1.28 6.634720410e+01 4.682529450e+01 6.323283188e+01 6.647930457e+01 6.661140504e+01 1.883730911e+01 3.660322712e+01 6.206493268e+01 1.967107614e+01 2.907027268e+01 1.30 6.290349915e+01 4.392308972e+01 5.978039818e+01 6.303280700e+01 6.316211486e+01 1.773946334e+01 3.432524696e+01 5.874365926e+01 1.827805191e+01 2.727310038e+01 1.32 5.961151685e+01 4.116971031e+01 5.648829632e+01 5.973808197e+01 5.986464709e+01 1.669135020e+01 3.216256839e+01 5.557252722e+01 1.695996798e+01 2.556345943e+01 1.34 5.646509654e+01 3.855815514e+01 5.334964210e+01 5.658896801e+01 5.671283947e+01 1.569089814e+01 3.010980701e+01 5.254528367e+01 1.571314185e+01 2.393744574e+01 1.36 5.345831571e+01 3.608173856e+01 5.035783369e+01 5.357954182e+01 5.370076794e+01 1.473611934e+01 2.816182122e+01 4.965592420e+01 1.453406565e+01 2.239132315e+01 1.38 5.058548113e+01 3.373407633e+01 4.750654034e+01 5.070410943e+01 5.082273773e+01 1.382510630e+01 2.631370142e+01 4.689868319e+01 1.341939794e+01 2.092151629e+01 1.40 4.784112026e+01 3.150907217e+01 4.478969161e+01 4.795719752e+01 4.807327477e+01 1.295602860e+01 2.456075966e+01 4.426802464e+01 1.236595591e+01 1.952460377e+01 1.42 4.521997300e+01 2.940090501e+01 4.220146701e+01 4.533354523e+01 4.544711745e+01 1.212712978e+01 2.289851975e+01 4.175863327e+01 1.137070791e+01 1.819731157e+01 1.44 4.271698367e+01 2.740401669e+01 3.973628596e+01 4.282809615e+01 4.293920862e+01 1.133672433e+01 2.132270787e+01 3.936540596e+01 1.043076637e+01 1.693650685e+01 1.46 4.032729335e+01 2.551310036e+01 3.738879827e+01 4.043599063e+01 4.054468791e+01 1.058319487e+01 1.982924350e+01 3.708344355e+01 9.543381009e+00 1.573919187e+01 1.48 3.804623252e+01 2.372308928e+01 3.515387493e+01 3.815255844e+01 3.825888435e+01 9.864989375e+00 1.841423086e+01 3.490804296e+01 8.705932404e+00 1.460249833e+01 1.50 3.586931389e+01 2.202914624e+01 3.302659918e+01 3.597331156e+01 3.607730924e+01 9.180618531e+00 1.707395062e+01 3.283468954e+01 7.915925861e+00 1.352368177e+01 1.52 3.379222555e+01 2.042665335e+01 3.100225812e+01 3.389393741e+01 3.399564926e+01 8.528653249e+00 1.580485210e+01 3.085904978e+01 7.170985549e+00 1.250011641e+01 1.54 3.181082436e+01 1.891120236e+01 2.907633445e+01 3.191029214e+01 3.200975992e+01 7.907722229e+00 1.460354572e+01 2.897696429e+01 6.468848930e+00 1.152929001e+01 1.56 2.992112960e+01 1.747858541e+01 2.724449866e+01 3.001839437e+01 3.011565913e+01 7.316509643e+00 1.346679580e+01 2.718444102e+01 5.807361450e+00 1.060879910e+01 1.58 2.811931681e+01 1.612478612e+01 2.550260147e+01 2.821441895e+01 2.830952108e+01 6.753752916e+00 1.239151375e+01 2.547764873e+01 5.184471466e+00 9.736344334e+00 1.60 2.640171187e+01 1.484597116e+01 2.384666659e+01 2.649469111e+01 2.658767036e+01 6.218240588e+00 1.137475149e+01 2.385291079e+01 4.598225428e+00 8.909726080e+00 1.62 2.476478535e+01 1.363848218e+01 2.227288378e+01 2.485568079e+01 2.494657623e+01 5.708810280e+00 1.041369517e+01 2.230669910e+01 4.046763278e+00 8.126840156e+00 1.64 2.320514701e+01 1.249882803e+01 2.077760210e+01 2.329399708e+01 2.338284716e+01 5.224346723e+00 9.505659218e+00 2.083562833e+01 3.528314066e+00 7.385673789e+00 1.66 2.171954050e+01 1.142367739e+01 1.935732356e+01 2.180638303e+01 2.189322556e+01 4.763779882e+00 8.648080588e+00 1.943645033e+01 3.041191771e+00 6.684301715e+00 1.68 2.030483830e+01 1.040985172e+01 1.800869688e+01 2.038971048e+01 2.047458266e+01 4.326083150e+00 7.838513317e+00 1.810604881e+01 2.583791319e+00 6.020882469e+00 1.70 1.895803684e+01 9.454318488e+00 1.672851160e+01 1.904097525e+01 1.912391366e+01 3.910271615e+00 7.074623296e+00 1.684143414e+01 2.154584791e+00 5.393654809e+00 1.72 1.767625172e+01 8.554184701e+00 1.551369238e+01 1.775729235e+01 1.783833298e+01 3.515400401e+00 6.354183275e+00 1.563973843e+01 1.752117798e+00 4.800934311e+00 1.74 1.645671326e+01 7.706690754e+00 1.436129350e+01 1.653589149e+01 1.661506971e+01 3.140563069e+00 5.675068094e+00 1.449821076e+01 1.375006038e+00 4.241110093e+00 1.76 1.529676203e+01 6.909204506e+00 1.326849363e+01 1.537411266e+01 1.545146330e+01 2.784890085e+00 5.035250128e+00 1.341421258e+01 1.021932002e+00 3.712641688e+00 1.78 1.419384473e+01 6.159215637e+00 1.223259078e+01 1.426940199e+01 1.434495925e+01 2.447547340e+00 4.432794931e+00 1.238521330e+01 6.916418443e-01 3.214056047e+00 1.80 1.314551006e+01 5.454330245e+00 1.125099746e+01 1.321930761e+01 1.329310516e+01 2.127734744e+00 3.865857070e+00 1.140878607e+01 3.829423932e-01 2.743944663e+00 1.82 1.214940487e+01 4.792265682e+00 1.032123597e+01 1.222147581e+01 1.229354674e+01 1.824684903e+00 3.332676148e+00 1.048260370e+01 9.469830013e-02 2.300960827e+00 1.84 1.120327037e+01 4.170845607e+00 9.440933991e+00 1.127364724e+01 1.134402412e+01 1.537661902e+00 2.831573006e+00 9.604434717e+00 -1.741706740e-01 1.883816991e+00 1.86 1.030493853e+01 3.587995266e+00 8.607820273e+00 1.037365335e+01 1.044236817e+01 1.265959935e+00 2.360946081e+00 8.772139626e+00 -4.246922491e-01 1.491282248e+00 1.88 9.452328573e+00 3.041736968e+00 7.819720482e+00 9.519412809e+00 9.586497046e+00 1.008901939e+00 1.919267943e+00 7.983667257e+00 -6.578440943e-01 1.122179915e+00 1.90 8.643443647e+00 2.530185761e+00 7.074553268e+00 8.708928244e+00 8.774412842e+00 7.658387397e-01 1.505081969e+00 7.237051292e+00 -8.745561814e-01 7.753852217e-01 1.92 7.876367572e+00 2.051545298e+00 6.370326447e+00 7.940282958e+00 8.004198345e+00 5.361478398e-01 1.116999177e+00 6.530406906e+00 -1.075713029e+00 4.498230928e-01 1.94 7.149261743e+00 1.604103875e+00 5.705133353e+00 7.211637834e+00 7.274013926e+00 3.192323551e-01 7.536951883e-01 5.861927549e+00 -1.262155844e+00 1.444660291e-01 1.96 6.460362132e+00 1.186230656e+00 5.077149327e+00 6.521228342e+00 6.582094552e+00 1.145199965e-01 4.139073363e-01 5.229881841e+00 -1.434684557e+00 -1.416679271e-01 1.98 5.807976409e+00 7.963720435e-01 4.484628352e+00 5.867361657e+00 5.926746904e+00 -7.853790776e-02 9.643189472e-02 4.632610590e+00 -1.594059771e+00 -4.095171362e-01 2.00 5.190481170e+00 4.330482226e-01 3.925899820e+00 5.248413884e+00 5.306346599e+00 -2.604673526e-01 -1.998785682e-01 4.068523932e+00 -1.741004616e+00 -6.599782264e-01 2.02 4.606319259e+00 9.484984524e-02 3.399365422e+00 4.662827391e+00 4.719335523e+00 -4.317725585e-01 -4.761177189e-01 3.536098568e+00 -1.876206516e+00 -8.939078793e-01 2.04 4.053997209e+00 -2.195651361e-01 2.903496174e+00 4.109108235e+00 4.164219261e+00 -5.929368386e-01 -7.333278756e-01 3.033875119e+00 -2.000318874e+00 -1.112124539e+00 2.06 3.532082760e+00 -5.114744988e-01 2.436829548e+00 3.585823691e+00 3.639564622e+00 -7.444234309e-01 -9.725023183e-01 2.560455578e+00 -2.113962683e+00 -1.315410049e+00 2.08 3.039202484e+00 -7.820946491e-01 1.997966733e+00 3.091599872e+00 3.143997260e+00 -8.866762985e-01 -1.194587497e+00 2.114500858e+00 -2.217728405e+00 -1.504511222e+00 2.10 2.574039488e+00 -1.032583394e+00 1.585569990e+00 2.625119434e+00 2.676199381e+00 -1.020121353e+00 -1.400485142e+00 1.694728442e+00 -2.312183791e+00 -1.680141343e+00 2.12 2.135331217e+00 -1.264042591e+00 1.198360126e+00 2.185119377e+00 2.234907536e+00 -1.145185260e+00 -1.591054281e+00 1.299910116e+00 -2.397882904e+00 -1.842981605e+00 2.14 1.721867324e+00 -1.477520687e+00 8.351140601e-01 1.770388915e+00 1.818910506e+00 -1.262357746e+00 -1.767113166e+00 9.288697972e-01 -2.475362777e+00 -1.993682489e+00 2.16 1.332487634e+00 -1.674015142e+00 4.946624942e-01 1.379767442e+00 1.427047250e+00 -1.372237382e+00 -1.929441116e+00 5.804814360e-01 -2.545129118e+00 -2.132865085e+00 2.18 9.660801728e-01 -1.854474745e+00 1.758876712e-01 1.012142560e+00 1.058204947e+00 -1.475472885e+00 -2.078780277e+00 2.536670116e-01 -2.607613838e+00 -2.261122354e+00 2.20 6.215792835e-01 -2.019801839e+00 -1.222787713e-01 6.664481937e-01 7.113171038e-01 -1.572452435e+00 -2.215837307e+00 -5.260540287e-02 -2.663093441e+00 -2.379020339e+00 2.22 2.979638016e-01 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