# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ag3Au # 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 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 6.018289305e+02 nan nan 0.92 5.473218481e+02 nan nan 0.94 4.986671619e+02 nan nan 0.96 4.551590170e+02 nan nan 0.98 4.161785594e+02 6.028028367e+02 nan 1.00 3.811869739e+02 5.523346496e+02 6.237780724e+02 1.02 3.497130485e+02 5.069099639e+02 5.727433138e+02 1.04 3.213437069e+02 4.659636798e+02 5.266823145e+02 1.06 2.957189009e+02 4.289955314e+02 4.850499409e+02 1.08 2.725216496e+02 3.955629952e+02 4.473630495e+02 1.10 2.514770953e+02 3.652778762e+02 4.131962494e+02 1.12 2.323413612e+02 3.377929523e+02 3.821711104e+02 1.14 2.149035903e+02 3.128029568e+02 3.539525123e+02 1.16 1.989774327e+02 2.900382320e+02 3.282437631e+02 1.18 1.844011211e+02 2.692587426e+02 3.047794875e+02 1.20 1.710321126e+02 2.502536951e+02 2.833260738e+02 1.22 1.587440406e+02 2.328371174e+02 2.636749779e+02 1.24 1.474282932e+02 2.168439522e+02 2.456414966e+02 1.26 1.369878938e+02 2.021272928e+02 2.290618985e+02 1.28 1.273377071e+02 1.885582499e+02 2.137903668e+02 1.30 1.184036790e+02 1.760234587e+02 1.996972039e+02 1.32 1.101198795e+02 1.644229859e+02 1.866688349e+02 1.34 1.024275428e+02 1.536677876e+02 1.746035156e+02 1.36 9.527456018e+01 1.436779673e+02 1.634100176e+02 1.38 8.861601298e+01 1.343850572e+02 1.530086712e+02 1.40 8.241110885e+01 1.257275050e+02 1.433282081e+02 1.42 7.662311328e+01 1.176504362e+02 1.343050650e+02 1.44 7.121921905e+01 1.101050882e+02 1.258821834e+02 1.46 6.617107680e+01 1.030476205e+02 1.180088021e+02 1.48 6.145239710e+01 9.643893555e+01 1.106407654e+02 1.50 5.703943229e+01 9.024502454e+01 1.037377257e+02 1.52 5.291034949e+01 8.443496192e+01 9.726356050e+01 1.54 4.904534495e+01 7.898028914e+01 9.118579703e+01 1.56 4.542712205e+01 7.385633243e+01 8.547365372e+01 1.58 4.203964915e+01 6.904028331e+01 8.010292126e+01 1.60 3.886794074e+01 6.451146655e+01 7.504983795e+01 1.62 3.589806198e+01 6.025039400e+01 7.029245921e+01 1.64 3.311736653e+01 5.623972917e+01 6.581167314e+01 1.66 3.051378594e+01 5.246457697e+01 6.158971837e+01 1.68 2.807651410e+01 4.891076046e+01 5.761012971e+01 1.70 2.579566002e+01 4.556492307e+01 5.385786413e+01 1.72 2.366168898e+01 4.241453071e+01 5.031963539e+01 1.74 2.166571268e+01 3.944838826e+01 4.698279755e+01 1.76 1.975136302e+01 3.665586932e+01 4.383555005e+01 1.78 1.800170992e+01 3.402707282e+01 4.086686348e+01 1.80 1.636324818e+01 3.155275074e+01 3.806700497e+01 1.82 1.482922641e+01 2.922424566e+01 3.542656993e+01 1.84 1.339411205e+01 2.703343636e+01 3.293676997e+01 1.86 1.205235315e+01 2.497233782e+01 3.058897669e+01 1.88 1.079879845e+01 2.303384459e+01 2.837555290e+01 1.90 9.628646841e+00 2.119544900e+01 2.628964333e+01 1.92 8.537289596e+00 1.944991123e+01 2.432438631e+01 1.94 7.520380914e+00 1.783556691e+01 2.247330894e+01 1.96 6.573818492e+00 1.631646492e+01 2.068330897e+01 1.98 5.693540173e+00 1.488726764e+01 1.903936987e+01 2.00 4.876042459e+00 1.354363371e+01 1.748933750e+01 2.02 4.117852191e+00 1.228117593e+01 1.602841597e+01 2.04 3.415494407e+00 1.109571726e+01 1.465207985e+01 2.06 2.765935711e+00 9.983310189e+00 1.335606128e+01 2.08 2.165922842e+00 8.940218765e+00 1.213632940e+01 2.10 1.612940112e+00 7.962902510e+00 1.098896348e+01 2.12 1.104275617e+00 7.048001929e+00 9.909699327e+00 2.14 6.373304436e-01 6.192325509e+00 8.895992170e+00 2.16 2.096274517e-01 5.392605384e+00 7.944573793e+00 2.18 -1.811951244e-01 4.646017952e+00 7.052338948e+00 2.20 -5.373894989e-01 3.950026692e+00 6.216334077e+00 2.22 -8.608286292e-01 3.301689246e+00 5.433747159e+00 2.24 -1.153843050e+00 2.698735545e+00 4.701898506e+00 2.26 -1.418414404e+00 2.138883949e+00 4.018232161e+00 2.28 -1.656278074e+00 1.619838247e+00 3.380228009e+00 2.30 -1.869294299e+00 1.139404623e+00 2.785612512e+00 2.32 -2.059155222e+00 6.954861331e-01 2.232193556e+00 2.34 -2.227462583e+00 2.860776481e-01 1.717841808e+00 2.36 -2.375737697e+00 -9.073872869e-02 1.240520595e+00 2.38 -2.505490111e+00 -4.367978390e-01 7.982810821e-01 2.40 -2.618041404e+00 -7.537776013e-01 3.892578321e-01 2.42 -2.714644722e+00 -1.043356873e+00 1.166473381e-02 2.44 -2.796784565e+00 -1.307224533e+00 -3.362087255e-01 2.46 -2.865362781e+00 -1.546941091e+00 -6.560009225e-01 2.48 -2.921384358e+00 -1.763874096e+00 -9.490650166e-01 2.50 -2.965918639e+00 -1.959490935e+00 -1.217456562e+00 2.52 -2.999829547e+00 -2.135149828e+00 -1.462306021e+00 2.54 -3.024116927e+00 -2.292131328e+00 -1.684922521e+00 2.56 -3.039617209e+00 -2.431656456e+00 -1.886577701e+00 2.58 -3.047113380e+00 -2.554888290e+00 -2.068602863e+00 2.60 -3.047335253e+00 -2.662933477e+00 -2.232207286e+00 2.62 -3.040962092e+00 -2.756843700e+00 -2.378545989e+00 2.64 -3.028625252e+00 -2.837617124e+00 -2.508721303e+00 2.66 -3.010910764e+00 -2.906199860e+00 -2.623784311e+00 2.68 -2.988361912e+00 -2.963487895e+00 -2.724736213e+00 2.70 -2.961481721e+00 -3.010259604e+00 -2.812529645e+00 2.72 -2.930735392e+00 -3.047324639e+00 -2.888069976e+00 2.74 -2.896552657e+00 -3.075391145e+00 -2.952216613e+00 2.76 -2.859330034e+00 -3.095282282e+00 -3.005784045e+00 2.78 -2.819472634e+00 -3.107702120e+00 -3.049519654e+00 2.80 -2.777389375e+00 -3.113347033e+00 -3.084291060e+00 2.82 -2.733270250e+00 -3.112679571e+00 -3.110573442e+00 2.84 -2.687245959e+00 -3.106248768e+00 -3.129117699e+00 2.86 -2.639518604e+00 -3.094567864e+00 -3.140533849e+00 2.88 -2.590561839e+00 -3.078116058e+00 -3.145397780e+00 2.90 -2.540299792e+00 -3.057381191e+00 -3.144250475e+00 2.92 -2.489236219e+00 -3.033187038e+00 -3.137599531e+00 2.94 -2.437562264e+00 -3.005437510e+00 -3.125920652e+00 2.96 -2.385442377e+00 -2.974495896e+00 -3.109659150e+00 2.98 -2.333186946e+00 -2.940699546e+00 -3.089231425e+00 3.00 -2.280836540e+00 -2.904361436e+00 -3.065026422e+00 3.02 -2.228432866e+00 -2.865771610e+00 -3.037407075e+00 3.04 -2.176089286e+00 -2.825198643e+00 -3.006711702e+00 3.06 -2.123908264e+00 -2.782892951e+00 -2.973255362e+00 3.08 -2.071998301e+00 -2.739050275e+00 -2.937331169e+00 3.10 -2.020630549e+00 -2.693654026e+00 -2.899211596e+00 3.12 -1.969662697e+00 -2.647156960e+00 -2.859149634e+00 3.14 -1.919162249e+00 -2.599564301e+00 -2.817379258e+00 3.16 -1.869190012e+00 -2.551123417e+00 -2.774118320e+00 3.18 -1.819800334e+00 -2.502119696e+00 -2.729413215e+00 3.20 -1.771037286e+00 -2.452687781e+00 -2.683430851e+00 3.22 -1.723058110e+00 -2.402953436e+00 -2.636945790e+00 3.24 -1.675806742e+00 -2.353031986e+00 -2.589542987e+00 3.26 -1.629290244e+00 -2.303028866e+00 -2.541517333e+00 3.28 -1.583533159e+00 -2.253040341e+00 -2.493004221e+00 3.30 -1.538561984e+00 -2.203154136e+00 -2.444127829e+00 3.32 -1.494391245e+00 -2.153450059e+00 -2.395002910e+00 3.34 -1.451053306e+00 -2.104000701e+00 -2.345734494e+00 3.36 -1.408559774e+00 -2.054871912e+00 -2.296418858e+00 3.38 -1.366896929e+00 -2.006122807e+00 -2.247144142e+00 3.40 -1.326054355e+00 -1.957831939e+00 -2.197990917e+00 3.42 -1.286017483e+00 -1.910362439e+00 -2.149032547e+00 3.44 -1.246819092e+00 -1.863398163e+00 -2.100335794e+00 3.46 -1.208494486e+00 -1.816979712e+00 -2.051961570e+00 3.48 -1.171032715e+00 -1.771141952e+00 -2.003964965e+00 3.50 -1.134410338e+00 -1.725916703e+00 -1.956395292e+00 3.52 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-1.206201126e+00 3.88 -6.004784487e-01 -1.002254314e+00 -1.171250657e+00 3.90 -5.778941086e-01 -9.715013482e-01 -1.137031071e+00 3.92 -5.548619794e-01 -9.413673338e-01 -1.103533832e+00 3.94 -5.314402770e-01 -9.118478271e-01 -1.070946365e+00 3.96 -5.077301323e-01 -8.828479449e-01 -1.039090829e+00 3.98 -4.838370340e-01 -8.545479890e-01 -1.007944305e+00 4.00 -4.597883763e-01 -8.271439750e-01 -9.774813951e-01 4.02 -4.356985589e-01 -8.007771341e-01 -9.476954375e-01 4.04 -4.118583583e-01 -7.756030601e-01 -9.184940301e-01 4.06 -3.884917300e-01 -7.517271539e-01 -8.896900225e-01 4.08 -3.657658991e-01 -7.289934379e-01 -8.615285015e-01 4.10 -3.438022048e-01 -7.073447310e-01 -8.342084068e-01 4.12 -3.226850633e-01 -6.864203499e-01 -8.078749107e-01 4.14 -3.024693563e-01 -6.657937954e-01 -7.826740288e-01 4.16 -2.831865113e-01 -6.451673407e-01 -7.586583125e-01 4.18 -2.648494889e-01 -6.243448219e-01 -7.358331064e-01 4.20 -2.474568644e-01 -6.032092617e-01 -7.143331469e-01 4.22 -2.309961549e-01 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-5.906959712e-02 -2.160989799e-01 -3.087165201e-01 4.60 -5.461994916e-02 -2.021248791e-01 -2.903535614e-01 4.62 -5.045209558e-02 -1.889175382e-01 -2.728273054e-01 4.64 -4.654852557e-02 -1.764479510e-01 -2.561384088e-01 4.66 -4.289276239e-02 -1.646855600e-01 -2.402785523e-01 4.68 -3.946931324e-02 -1.535989354e-01 -2.252324674e-01 4.70 -3.626361931e-02 -1.431563148e-01 -2.109796046e-01 4.72 -3.326200647e-02 -1.333260273e-01 -1.974955004e-01 4.74 -3.045163717e-02 -1.240768241e-01 -1.847528930e-01 4.76 -2.782046374e-02 -1.153781304e-01 -1.727226276e-01 4.78 -2.535718306e-02 -1.072002330e-01 -1.613743838e-01 4.80 -2.305119328e-02 -9.950011496e-02 -1.506772592e-01 4.82 -2.089255242e-02 -9.268740777e-02 -1.406002316e-01 4.84 -1.887193899e-02 -8.644858376e-02 -1.311125231e-01 4.86 -1.698061454e-02 -8.058101219e-02 -1.221838794e-01 4.88 -1.521038810e-02 -7.506359816e-02 -1.137847832e-01 4.90 -1.355358255e-02 -6.987627068e-02 -1.058866111e-01 4.92 -1.200300306e-02 -6.499996707e-02 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