# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2008--Mendelev-M-I-Kramer-M-J-Becker-C-A-Asta-M--Al # implementation = 2008--Mendelev-M-I--Al--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 nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 2.777307816e+14 nan 0.82 nan nan nan nan nan nan nan nan 2.442203920e+14 nan 0.84 nan nan nan nan nan nan nan nan 2.138371334e+14 nan 0.86 nan nan nan nan nan 1.369244574e+14 nan nan 1.862266269e+14 nan 0.88 nan nan nan nan nan 1.151244411e+14 nan nan 1.610814188e+14 nan 0.90 nan nan nan nan nan 9.522917050e+13 nan nan 1.381333157e+14 nan 0.92 nan nan nan nan nan 7.703510924e+13 nan nan 1.171480758e+14 nan 0.94 nan nan nan nan nan 6.036483124e+13 nan nan 9.792087291e+13 nan 0.96 nan nan nan nan nan 4.506317266e+13 nan nan 8.027223989e+13 nan 0.98 nan nan nan 2.907472547e+14 2.907475172e+14 3.099420340e+13 nan nan 6.404470927e+13 1.496191119e+14 1.00 nan 1.294297546e+14 nan 2.623577062e+14 2.623583683e+14 1.819901730e+13 1.340395248e+14 nan 4.909927979e+13 1.295887719e+14 1.02 nan 1.109419462e+14 nan 2.361578589e+14 2.361587516e+14 9.967936642e+12 1.152917334e+14 nan 3.531248495e+13 1.111074938e+14 1.04 nan 9.385738136e+13 nan 2.119412788e+14 2.119423192e+14 5.501966857e+12 9.796728620e+13 nan 2.257447928e+13 9.402920923e+13 1.06 nan 7.804626341e+13 nan 1.895244806e+14 1.895256246e+14 3.059053769e+12 8.193420486e+13 nan 1.269122116e+13 7.822391166e+13 1.08 nan 6.339274401e+13 nan 1.687441964e+14 1.687454019e+14 1.712439946e+12 6.707512511e+13 nan 7.164106757e+12 6.357557244e+13 1.10 nan 4.979344515e+13 nan 1.494546459e+14 1.494558571e+14 9.647465599e+11 5.328510754e+13 1.299672054e+14 4.070721618e+12 4.998056822e+13 1.12 1.315238760e+14 3.715578911e+13 1.052415772e+14 1.315250961e+14 1.315261913e+14 5.467753660e+11 4.047013551e+13 1.130699975e+14 2.327274626e+12 3.734635052e+13 1.14 1.148366102e+14 2.539677662e+13 8.992302270e+13 1.148381589e+14 1.148389409e+14 3.116344603e+11 2.854587228e+13 9.734503047e+13 1.338201644e+12 2.559008753e+13 1.16 9.928736014e+13 1.524703570e+13 7.565049897e+13 9.928852076e+13 9.928877465e+13 1.785544321e+11 1.767237222e+13 8.269308524e+13 7.736383273e+11 1.539564016e+13 1.18 8.478145790e+13 9.040159656e+12 6.233684303e+13 8.478160030e+13 8.478122698e+13 1.028088418e+11 1.049151497e+13 6.902456818e+13 4.495205428e+11 9.133889022e+12 1.20 7.123332852e+13 5.389977340e+12 4.990316352e+13 7.123225469e+13 7.123137360e+13 5.946560941e+10 6.263468371e+12 5.625858265e+13 2.624294615e+11 5.448889549e+12 1.22 5.856529221e+13 3.230558252e+12 3.827814393e+13 5.856339682e+13 5.856228016e+13 3.453953977e+10 3.759066466e+12 4.432209052e+13 1.538810838e+11 3.267466947e+12 1.24 4.670709917e+13 1.945866185e+12 2.739731230e+13 4.670512236e+13 4.670407152e+13 2.013821233e+10 2.267208778e+12 3.314915130e+13 9.060005728e+10 1.968948224e+12 1.26 3.559537829e+13 1.177501839e+12 1.747109259e+13 3.559403880e+13 3.559331676e+13 1.178201344e+10 1.373761897e+12 2.268018007e+13 5.354332329e+10 1.191935227e+12 1.28 2.517289151e+13 7.156420581e+11 1.080342387e+13 2.517261508e+13 2.517238754e+13 6.914416505e+09 8.360010116e+11 1.409020926e+13 3.175262680e+10 7.246872366e+11 1.30 1.597883099e+13 4.367067639e+11 6.712350552e+12 1.597950056e+13 1.597973064e+13 4.068855990e+09 5.107993610e+11 8.767229874e+12 1.888933441e+10 4.424072736e+11 1.32 1.002166629e+13 2.674988005e+11 4.189411539e+12 1.002251097e+13 1.002287853e+13 2.400015812e+09 3.132735293e+11 5.480317094e+12 1.126889495e+10 2.711222958e+11 1.34 6.313729892e+12 1.644262144e+11 2.625988250e+12 6.314351137e+12 6.314673746e+12 1.418479736e+09 1.928055570e+11 3.440674926e+12 6.739651697e+09 1.667543101e+11 1.36 3.994704541e+12 1.013956837e+11 1.652686850e+12 3.995038911e+12 3.995259954e+12 8.397181192e+08 1.190526415e+11 2.169061701e+12 4.039687501e+09 1.029092412e+11 1.38 2.537688388e+12 6.271195274e+10 1.044107866e+12 2.537812242e+12 2.537936970e+12 4.976994070e+08 7.373735818e+10 1.372736618e+12 2.425906250e+09 6.370762106e+10 1.40 1.618261518e+12 3.889067930e+10 6.619988642e+11 1.618271894e+12 1.618328135e+12 2.952118926e+08 4.580047119e+10 8.719425003e+11 1.459068430e+09 3.955314903e+10 1.42 1.035660783e+12 2.417629565e+10 4.211364219e+11 1.035629326e+12 1.035647884e+12 1.751588788e+08 2.852264005e+10 5.557411219e+11 8.786394379e+08 2.462167104e+10 1.44 6.650404492e+11 1.506165217e+10 2.687425159e+11 6.650063420e+11 6.650102594e+11 1.039084908e+08 1.780530474e+10 3.553373645e+11 5.295851215e+08 1.536373573e+10 1.46 4.283958932e+11 9.401254544e+09 1.719861030e+11 4.283746839e+11 4.283764283e+11 6.159889343e+07 1.113910556e+10 2.278744538e+11 3.193781119e+08 9.607594839e+09 1.48 2.767685503e+11 5.877914389e+09 1.103561213e+11 2.767622820e+11 2.767663882e+11 3.647379628e+07 6.982203762e+09 1.465358412e+11 1.926499064e+08 6.019574788e+09 1.50 1.792972712e+11 3.680282688e+09 7.098348865e+10 1.793020723e+11 1.793088944e+11 2.156069008e+07 4.384044480e+09 9.447086083e+10 1.161906791e+08 3.777859358e+09 1.52 1.164483904e+11 2.307047123e+09 4.576059675e+10 1.164588001e+11 1.164670733e+11 1.271758811e+07 2.756728257e+09 6.104856336e+10 7.004034458e+07 2.374397577e+09 1.54 7.580825818e+10 1.447586805e+09 2.956087296e+10 7.582009853e+10 7.582845022e+10 7.481475859e+06 1.735573005e+09 3.953642412e+10 4.218155402e+07 1.494131386e+09 1.56 4.945910771e+10 9.089530901e+08 1.913166572e+10 4.946992885e+10 4.947737851e+10 4.387058200e+06 1.093739511e+09 2.565591178e+10 2.536900702e+07 9.411358844e+08 1.58 3.233331817e+10 5.710109014e+08 1.240281741e+10 3.234197662e+10 3.234800368e+10 2.562752151e+06 6.897631998e+08 1.667906670e+10 1.522961045e+07 5.932574784e+08 1.60 2.117672795e+10 3.587979664e+08 8.052792189e+09 2.118291925e+10 2.118738799e+10 1.490423568e+06 4.352059509e+08 1.086115073e+10 9.121462858e+06 3.741604328e+08 1.62 1.389318612e+10 2.254498856e+08 5.235495150e+09 1.389714715e+10 1.390018997e+10 8.623381630e+05 2.746583955e+08 7.083103546e+09 5.447558412e+06 2.360396344e+08 1.64 9.128657755e+09 1.416224846e+08 3.407842444e+09 9.130893474e+09 9.132789577e+09 4.959874504e+05 1.733359488e+08 4.625258601e+09 3.242337143e+06 1.489026800e+08 1.66 6.006197685e+09 8.891632674e+07 2.220427059e+09 6.007259550e+09 6.008332080e+09 2.833419650e+05 1.093635133e+08 3.023650646e+09 1.922095497e+06 9.390277476e+07 1.68 3.956432765e+09 5.578029894e+07 1.447943083e+09 3.956790951e+09 3.957327971e+09 1.606103359e+05 6.896455488e+07 1.978465087e+09 1.134154580e+06 5.917942907e+07 1.70 2.608818554e+09 3.495478349e+07 9.448109301e+08 2.608805856e+09 2.609022850e+09 9.023545207e+04 4.345295846e+07 1.295521690e+09 6.656449924e+05 3.725891655e+07 1.72 1.721644257e+09 2.187378724e+07 6.167885711e+08 1.721473557e+09 1.721517292e+09 5.018510379e+04 2.734712937e+07 8.487846540e+08 3.882830793e+05 2.342623381e+07 1.74 1.136901445e+09 1.366427319e+07 4.027578596e+08 1.136698216e+09 1.136661329e+09 2.758938908e+04 1.718509289e+07 5.562917350e+08 2.249149522e+05 1.470381115e+07 1.76 7.511048448e+08 8.517999609e+06 2.630159274e+08 7.509318062e+08 7.508676307e+08 1.496776652e+04 1.077902918e+07 3.646491656e+08 1.292532652e+05 9.209856666e+06 1.78 4.963574916e+08 5.296781548e+06 1.717352381e+08 4.962366123e+08 4.961726701e+08 7.997874997e+03 6.745682059e+06 2.390180641e+08 7.361346002e+04 5.754459768e+06 1.80 3.280381174e+08 3.284255660e+06 1.120938430e+08 3.279675409e+08 3.279156319e+08 4.199494099e+03 4.210274082e+06 1.566334748e+08 4.149935085e+04 3.585145487e+06 1.82 2.167766542e+08 2.029680573e+06 7.312251476e+07 2.167435506e+08 2.167066009e+08 2.160848448e+03 2.619641746e+06 1.026010719e+08 2.312560902e+04 2.226224674e+06 1.84 1.432132066e+08 1.249635516e+06 4.766126442e+07 1.432031355e+08 1.431796868e+08 1.085884502e+03 1.624118040e+06 6.716536389e+07 1.271799602e+04 1.377164735e+06 1.86 9.457067455e+07 7.660964969e+05 3.103278839e+07 9.457245243e+07 9.455939565e+07 5.306735648e+02 1.002814213e+06 4.393119201e+07 6.889737920e+03 8.482696501e+05 1.88 6.240945974e+07 4.673963113e+05 2.017957224e+07 6.241589542e+07 6.240993012e+07 2.508214579e+02 6.163352521e+05 2.870374880e+07 3.668346039e+03 5.199601126e+05 1.90 4.115097630e+07 2.836098575e+05 1.310191218e+07 4.115803536e+07 4.115636637e+07 1.138001250e+02 3.768385557e+05 1.873013468e+07 1.914392461e+03 3.169781878e+05 1.92 2.710537649e+07 1.710390966e+05 8.491464946e+06 2.711127810e+07 2.711189269e+07 4.901597554e+01 2.290659647e+05 1.220314090e+07 9.758609466e+02 1.920522746e+05 1.94 1.783113280e+07 1.024420227e+05 5.492153418e+06 1.783543514e+07 1.783704501e+07 1.966028906e+01 1.383333447e+05 7.936256092e+06 4.837027584e+02 1.155619303e+05 1.96 1.171241396e+07 6.088364488e+04 3.543969859e+06 1.171527649e+07 1.171712437e+07 7.031270058e+00 8.292978193e+04 5.150503802e+06 2.316666556e+02 6.900051373e+04 1.98 7.679757186e+06 3.587102007e+04 2.280800189e+06 7.681517875e+06 7.683205295e+06 1.926527259e+00 4.930861850e+04 3.334579473e+06 1.061815195e+02 4.084378262e+04 2.00 5.025326742e+06 2.092787444e+04 1.463469921e+06 5.026322654e+06 5.027681458e+06 -2.488289545e-03 2.904836359e+04 2.153012814e+06 4.578823132e+01 2.394285249e+04 2.02 3.280722349e+06 1.207491721e+04 9.358672480e+05 3.281232623e+06 3.282232248e+06 -7.046983302e-01 1.693559103e+04 1.385836070e+06 1.790544737e+01 1.388266568e+04 2.04 2.136120488e+06 6.879580249e+03 5.962037834e+05 2.136351241e+06 2.137032372e+06 -9.918141030e-01 9.758279486e+03 8.889364652e+05 5.682618637e+00 7.950611235e+03 2.06 1.386711921e+06 3.863436419e+03 3.781994319e+05 1.386798809e+06 1.387229949e+06 -1.166484706e+00 5.548227856e+03 5.679958179e+05 6.648557281e-01 4.489857965e+03 2.08 8.972109196e+05 2.133869618e+03 2.387624625e+05 8.972326762e+05 8.974849568e+05 -1.321519296e+00 3.106882727e+03 3.613622501e+05 -1.232073413e+00 2.495161848e+03 2.10 5.783388299e+05 1.155996858e+03 1.499268179e+05 5.783372413e+05 5.784719842e+05 -1.474133448e+00 1.709562057e+03 2.287986293e+05 -1.886093293e+00 1.361213124e+03 2.12 3.712510268e+05 6.120634914e+02 9.357998748e+04 3.712457749e+05 3.713097085e+05 -1.620706757e+00 9.216677200e+02 1.440938715e+05 -2.104436747e+00 7.266843161e+02 2.14 2.372212875e+05 3.151808337e+02 5.801887283e+04 2.372190394e+05 2.372438545e+05 -1.755836674e+00 4.849897849e+02 9.021153048e+04 -2.201222612e+00 3.780307098e+02 2.16 1.508082589e+05 1.566953322e+02 3.570232100e+04 1.508094429e+05 1.508147329e+05 -1.877019154e+00 2.477561872e+02 5.610675447e+04 -2.279479299e+00 1.904794656e+02 2.18 9.533336409e+04 7.428638092e+01 2.178630916e+04 9.533632266e+04 9.533325648e+04 -1.984268689e+00 1.218598836e+02 3.464023326e+04 -2.361741487e+00 9.207959834e+01 2.20 5.988931359e+04 3.277021353e+01 1.317048051e+04 5.989238961e+04 5.988679920e+04 -2.078772868e+00 5.688456112e+01 2.121244348e+04 -2.446044322e+00 4.197006381e+01 2.22 3.736282115e+04 1.265112327e+01 7.878716978e+03 3.736515960e+04 3.735976457e+04 -2.162106971e+00 2.445947783e+01 1.287125518e+04 -2.526614572e+00 1.735838716e+01 2.24 2.312997215e+04 3.364952627e+00 4.657638404e+03 2.313141500e+04 2.312722324e+04 -2.235786469e+00 8.934504601e+00 7.729998129e+03 -2.599755279e+00 5.799295555e+00 2.26 1.419596335e+04 -6.594141061e-01 2.716700566e+03 1.419671422e+04 1.419387407e+04 -2.301106025e+00 1.880033231e+00 4.588698719e+03 -2.664231684e+00 6.695910060e-01 2.28 8.628942388e+03 -2.262469173e+00 1.560417970e+03 8.629289707e+03 8.627584265e+03 -2.359123700e+00 -1.114328670e+00 2.688219661e+03 -2.720235533e+00 -1.445866921e+00 2.30 5.188321341e+03 -2.831103566e+00 8.804481706e+02 5.188484010e+03 5.187594771e+03 -2.410624778e+00 -2.273896598e+00 1.551210367e+03 -2.768469000e+00 -2.238963892e+00 2.32 3.081425013e+03 -3.003338136e+00 4.864575804e+02 3.081524783e+03 3.081155897e+03 -2.453621190e+00 -2.667771987e+00 8.795615603e+02 -2.807803972e+00 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