# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2009--Kang-K-H-Sa-I-Lee-J-C-et-al--Zr-Ag # implementation = 2009--Kang-K-H--Zr-Ag--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Ag Ag Ag Zr Zr Zr 0.02 2.972530260e+03 7.202116793e+00 2.818972940e+02 0.04 2.802593724e+03 2.459752324e+01 2.716522167e+02 0.06 2.642097360e+03 3.998530716e+01 2.617570207e+02 0.08 2.490528365e+03 5.353367702e+01 2.522002364e+02 0.10 2.347401266e+03 6.539855621e+01 2.429707593e+02 0.12 2.212256491e+03 7.572441366e+01 2.340578392e+02 0.14 2.084659003e+03 8.464503854e+01 2.254510687e+02 0.16 1.964197022e+03 9.228426655e+01 2.171403726e+02 0.18 1.850480794e+03 9.875666017e+01 2.091159976e+02 0.20 1.743141438e+03 1.041681429e+02 2.013685021e+02 0.22 1.641829847e+03 1.086165942e+02 1.938887468e+02 0.24 1.546215645e+03 1.121924060e+02 1.866678846e+02 0.26 1.455986201e+03 1.149790009e+02 1.796973520e+02 0.28 1.370845694e+03 1.170533188e+02 1.729688601e+02 0.30 1.290514218e+03 1.184862709e+02 1.664743857e+02 0.32 1.214726954e+03 1.193431630e+02 1.602061634e+02 0.34 1.143233357e+03 1.196840928e+02 1.541566771e+02 0.36 1.075796411e+03 1.195643189e+02 1.483186526e+02 0.38 1.012191909e+03 1.190346066e+02 1.426850494e+02 0.40 9.522077691e+02 1.181415510e+02 1.372490541e+02 0.42 8.956433983e+02 1.169278772e+02 1.320040726e+02 0.44 8.423090761e+02 1.154327213e+02 1.269437235e+02 0.46 7.920253779e+02 1.136918931e+02 1.220618314e+02 0.48 7.446226276e+02 1.117381194e+02 1.173524204e+02 0.50 6.999403770e+02 1.096012725e+02 1.128097078e+02 0.52 6.578269137e+02 1.073085823e+02 1.084280979e+02 0.54 6.181387954e+02 1.048848343e+02 1.042021762e+02 0.56 5.807404065e+02 1.023525535e+02 1.001267037e+02 0.58 5.455035407e+02 9.973217654e+01 9.619661133e+01 0.60 5.123070036e+02 9.704221119e+01 9.240699441e+01 0.62 4.810362362e+02 9.429938521e+01 8.875310774e+01 0.64 4.515829601e+02 9.151878451e+01 8.523036035e+01 0.66 4.238448394e+02 8.871398204e+01 8.183431069e+01 0.68 3.977251608e+02 8.589715737e+01 7.856066182e+01 0.70 3.731325320e+02 8.307920775e+01 7.540525692e+01 0.72 3.499805940e+02 8.026985157e+01 7.236407476e+01 0.74 3.281877501e+02 7.747772425e+01 6.943322542e+01 0.76 3.076769090e+02 7.471046714e+01 6.660894614e+01 0.78 2.883752407e+02 7.197481035e+01 6.388759724e+01 0.80 2.702139463e+02 6.927664925e+01 6.126565821e+01 0.82 2.531280397e+02 6.662111551e+01 5.873972393e+01 0.84 2.370561406e+02 6.401264300e+01 5.630650096e+01 0.86 2.219402790e+02 6.145502865e+01 5.396280400e+01 0.88 2.077257099e+02 5.895148898e+01 5.170555246e+01 0.90 1.943607375e+02 5.650471225e+01 4.953176704e+01 0.92 1.817965499e+02 5.411690671e+01 4.743856657e+01 0.94 1.699870608e+02 5.178984528e+01 4.542316483e+01 0.96 1.588887616e+02 4.952490669e+01 4.348286752e+01 0.98 1.484605804e+02 4.732311352e+01 4.161506931e+01 1.00 1.386637483e+02 4.518516728e+01 3.981725098e+01 1.02 1.294616736e+02 4.311148069e+01 3.808697666e+01 1.04 1.208198224e+02 4.110220751e+01 3.642189117e+01 1.06 1.127056056e+02 3.915726987e+01 3.481971740e+01 1.08 1.050882720e+02 3.727638349e+01 3.327825381e+01 1.10 9.793880715e+01 3.545908082e+01 3.179537199e+01 1.12 9.122983772e+01 3.370473229e+01 3.036901429e+01 1.14 8.493554106e+01 3.201256573e+01 2.899719158e+01 1.16 7.903155942e+01 3.038168429e+01 2.767798099e+01 1.18 7.349491905e+01 2.881108268e+01 2.640952378e+01 1.20 6.830395365e+01 2.729966215e+01 2.519002328e+01 1.22 6.343823176e+01 2.584624409e+01 2.401774287e+01 1.24 5.887848834e+01 2.444958242e+01 2.289100402e+01 1.26 5.460655999e+01 2.310837491e+01 2.180818441e+01 1.28 5.060532353e+01 2.182127344e+01 2.076771611e+01 1.30 4.685863822e+01 2.058689331e+01 1.976808383e+01 1.32 4.335129086e+01 1.940382167e+01 1.880782314e+01 1.34 4.006894394e+01 1.827062517e+01 1.788551889e+01 1.36 3.699808683e+01 1.718585678e+01 1.699980354e+01 1.38 3.412598930e+01 1.614806203e+01 1.614935563e+01 1.40 3.144065783e+01 1.515578451e+01 1.533289826e+01 1.42 2.893079422e+01 1.420757085e+01 1.454919766e+01 1.44 2.658575647e+01 1.330197515e+01 1.379706171e+01 1.46 2.439552182e+01 1.243756288e+01 1.307533863e+01 1.48 2.235065182e+01 1.161291434e+01 1.238291563e+01 1.50 2.044225924e+01 1.082662777e+01 1.171871762e+01 1.52 1.866197698e+01 1.007732196e+01 1.108170594e+01 1.54 1.700192850e+01 9.363638564e+00 1.047087721e+01 1.56 1.545469995e+01 8.684244156e+00 9.885262108e+00 1.58 1.401331393e+01 8.037831875e+00 9.323924264e+00 1.60 1.267120451e+01 7.423122883e+00 8.785959149e+00 1.62 1.142219379e+01 6.838867555e+00 8.270493013e+00 1.64 1.026046971e+01 6.283846448e+00 7.776681861e+00 1.66 9.180565066e+00 5.756871066e+00 7.303710445e+00 1.68 8.177337690e+00 5.256784445e+00 6.850791304e+00 1.70 7.245951788e+00 4.782461576e+00 6.417163820e+00 1.72 6.381860240e+00 4.332809668e+00 6.002093309e+00 1.74 5.580787958e+00 3.906768287e+00 5.604870146e+00 1.76 4.838716123e+00 3.503309371e+00 5.224808902e+00 1.78 4.151867319e+00 3.121437127e+00 4.861247521e+00 1.80 3.516691533e+00 2.760187854e+00 4.513546518e+00 1.82 2.929852885e+00 2.418629652e+00 4.181088194e+00 1.84 2.388217152e+00 2.095862078e+00 3.863275888e+00 1.86 1.888839991e+00 1.791015726e+00 3.559533242e+00 1.88 1.428955803e+00 1.503251744e+00 3.269303486e+00 1.90 1.005967264e+00 1.231761313e+00 2.992048757e+00 1.92 6.174354339e-01 9.757650765e-01 2.727249423e+00 1.94 2.610704306e-01 7.345125264e-01 2.474403436e+00 1.96 -6.527734379e-02 5.072813754e-01 2.233025705e+00 1.98 -3.636254908e-01 2.933768912e-01 2.002647480e+00 2.00 -6.358674195e-01 9.213121674e-02 1.782815757e+00 2.02 -8.837796818e-01 -9.709732050e-02 1.573092708e+00 2.04 -1.109028908e+00 -2.749249145e-01 1.373055115e+00 2.06 -1.313178317e+00 -4.419429871e-01 1.182293827e+00 2.08 -1.497693850e+00 -5.987188952e-01 1.000413235e+00 2.10 -1.663949954e+00 -7.457966384e-01 8.270307533e-01 2.12 -1.813235010e+00 -8.836975553e-01 6.617763262e-01 2.14 -1.946756452e+00 -1.012921011e+00 5.042919422e-01 2.16 -2.065645582e+00 -1.133945074e+00 3.542311635e-01 2.18 -2.170962093e+00 -1.247227166e+00 2.112586722e-01 2.20 -2.263698331e+00 -1.353204705e+00 7.504982718e-02 2.22 -2.344783310e+00 -1.452295712e+00 -5.470976413e-02 2.24 -2.415086468e+00 -1.544899394e+00 -1.783246587e-01 2.26 -2.475421227e+00 -1.631396701e+00 -2.960899796e-01 2.28 -2.526548326e+00 -1.712150844e+00 -4.082918016e-01 2.30 -2.569178957e+00 -1.787507773e+00 -5.152075218e-01 2.32 -2.603977730e+00 -1.857796626e+00 -6.171062174e-01 2.34 -2.631565451e+00 -1.923330118e+00 -7.142489847e-01 2.36 -2.652521740e+00 -1.984404896e+00 -8.068892624e-01 2.38 -2.667387509e+00 -2.041301844e+00 -8.952731378e-01 2.40 -2.676667279e+00 -2.094286323e+00 -9.796396308e-01 2.42 -2.680831381e+00 -2.143608374e+00 -1.060220959e+00 2.44 -2.680318022e+00 -2.189502860e+00 -1.137242779e+00 2.46 -2.675535236e+00 -2.232189544e+00 -1.210924399e+00 2.48 -2.666862732e+00 -2.271873134e+00 -1.281478968e+00 2.50 -2.654653632e+00 -2.308743259e+00 -1.349113626e+00 2.52 -2.639236115e+00 -2.342974418e+00 -1.414029626e+00 2.54 -2.620914976e+00 -2.374725883e+00 -1.476422411e+00 2.56 -2.599973095e+00 -2.404141584e+00 -1.536481646e+00 2.58 -2.576672825e+00 -2.431349990e+00 -1.594391206e+00 2.60 -2.551257313e+00 -2.456464005e+00 -1.650329099e+00 2.62 -2.523951741e+00 -2.479580893e+00 -1.704467338e+00 2.64 -2.494964505e+00 -2.500782285e+00 -1.756971737e+00 2.66 -2.464488326e+00 -2.520134280e+00 -1.808001635e+00 2.68 -2.432701305e+00 -2.537687684e+00 -1.857709541e+00 2.70 -2.399767916e+00 -2.553478426e+00 -1.906240686e+00 2.72 -2.365839941e+00 -2.567528195e+00 -1.953732487e+00 2.74 -2.331057354e+00 -2.579845314e+00 -2.000313909e+00 2.76 -2.295549158e+00 -2.590425904e+00 -2.046104727e+00 2.78 -2.259434159e+00 -2.599255334e+00 -2.091214683e+00 2.80 -2.222821701e+00 -2.606309974e+00 -2.135742550e+00 2.82 -2.185812355e+00 -2.611559239e+00 -2.179775094e+00 2.84 -2.148498558e+00 -2.614967876e+00 -2.223385959e+00 2.86 -2.110965210e+00 -2.616498456e+00 -2.266634487e+00 2.88 -2.073290228e+00 -2.616113995e+00 -2.309564503e+00 2.90 -2.035545063e+00 -2.613780607e+00 -2.352203089e+00 2.92 -1.997795177e+00 -2.609470099e+00 -2.394559407e+00 2.94 -1.960100481e+00 -2.603162394e+00 -2.436623608e+00 2.96 -1.922515740e+00 -2.594847694e+00 -2.478365907e+00 2.98 -1.885090947e+00 -2.584528286e+00 -2.519735875e+00 3.00 -1.847871664e+00 -2.572219918e+00 -2.560662058e+00 3.02 -1.810899337e+00 -2.557952702e+00 -2.601051970e+00 3.04 -1.774211585e+00 -2.541771516e+00 -2.640792576e+00 3.06 -1.737842462e+00 -2.523735897e+00 -2.679751312e+00 3.08 -1.701822701e+00 -2.503919460e+00 -2.717777719e+00 3.10 -1.666179941e+00 -2.482408872e+00 -2.754705723e+00 3.12 -1.630938931e+00 -2.459302445e+00 -2.790356561e+00 3.14 -1.596121721e+00 -2.434708426e+00 -2.824542338e+00 3.16 -1.561747845e+00 -2.408743049e+00 -2.857070120e+00 3.18 -1.527834486e+00 -2.381528461e+00 -2.887746459e+00 3.20 -1.494396632e+00 -2.353190580e+00 -2.916382193e+00 3.22 -1.461447225e+00 -2.323856990e+00 -2.942797314e+00 3.24 -1.428997304e+00 -2.293654936e+00 -2.966825702e+00 3.26 -1.397056135e+00 -2.262709490e+00 -2.988319500e+00 3.28 -1.365631339e+00 -2.231141928e+00 -3.007152928e+00 3.30 -1.334729014e+00 -2.199068357e+00 -3.023225352e+00 3.32 -1.304353849e+00 -2.166598613e+00 -3.036463489e+00 3.34 -1.274509234e+00 -2.133835425e+00 -3.046822667e+00 3.36 -1.245197367e+00 -2.100873844e+00 -3.054287135e+00 3.38 -1.216419348e+00 -2.067800912e+00 -3.058869452e+00 3.40 -1.188175278e+00 -2.034695556e+00 -3.060609078e+00 3.42 -1.160464347e+00 -2.001628655e+00 -3.059570269e+00 3.44 -1.133284914e+00 -1.968663275e+00 -3.055839454e+00 3.46 -1.106634588e+00 -1.935855014e+00 -3.049522240e+00 3.48 -1.080510299e+00 -1.903252447e+00 -3.040740218e+00 3.50 -1.054908368e+00 -1.870897628e+00 -3.029627692e+00 3.52 -1.029824567e+00 -1.838826628e+00 -3.016328482e+00 3.54 -1.005254181e+00 -1.807070092e+00 -3.000992865e+00 3.56 -9.811920580e-01 -1.775653796e+00 -2.983774762e+00 3.58 -9.576326585e-01 -1.744599182e+00 -2.964829193e+00 3.60 -9.345701036e-01 -1.713923873e+00 -2.944310045e+00 3.62 -9.119982141e-01 -1.683642155e+00 -2.922368168e+00 3.64 -8.899105499e-01 -1.653765413e+00 -2.899149791e+00 3.66 -8.683004444e-01 -1.624302535e+00 -2.874795249e+00 3.68 -8.471610365e-01 -1.595260271e+00 -2.849438006e+00 3.70 -8.264853003e-01 -1.566643543e+00 -2.823203945e+00 3.72 -8.062660718e-01 -1.538455728e+00 -2.796210899e+00 3.74 -7.864960733e-01 -1.510698894e+00 -2.768568397e+00 3.76 -7.671679360e-01 -1.483374007e+00 -2.740377582e+00 3.78 -7.482742208e-01 -1.456481099e+00 -2.711731290e+00 3.80 -7.298074367e-01 -1.430019422e+00 -2.682714247e+00 3.82 -7.117600586e-01 -1.403987563e+00 -2.653403365e+00 3.84 -6.941245422e-01 -1.378383551e+00 -2.623868110e+00 3.86 -6.768933390e-01 -1.353204938e+00 -2.594170928e+00 3.88 -6.600589090e-01 -1.328448869e+00 -2.564367701e+00 3.90 -6.436137327e-01 -1.304112139e+00 -2.534508221e+00 3.92 -6.275503215e-01 -1.280191243e+00 -2.504636676e+00 3.94 -6.118612278e-01 -1.256682414e+00 -2.474792131e+00 3.96 -5.965390535e-01 -1.233581656e+00 -2.445008990e+00 3.98 -5.815764580e-01 -1.210884772e+00 -2.415317452e+00 4.00 -5.669661654e-01 -1.188587394e+00 -2.385743927e+00 4.02 -5.527009706e-01 -1.166684995e+00 -2.356311443e+00 4.04 -5.387737450e-01 -1.145172918e+00 -2.327040015e+00 4.06 -5.251774416e-01 -1.124046386e+00 -2.297946981e+00 4.08 -5.119050993e-01 -1.103300518e+00 -2.269047322e+00 4.10 -4.989498468e-01 -1.082930348e+00 -2.240353938e+00 4.12 -4.863049060e-01 -1.062930832e+00 -2.211877905e+00 4.14 -4.739635949e-01 -1.043296865e+00 -2.183628704e+00 4.16 -4.619193297e-01 -1.024023285e+00 -2.155614423e+00 4.18 -4.501656276e-01 -1.005104892e+00 -2.127841935e+00 4.20 -4.386961077e-01 -9.865364519e-01 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