# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Starikov-S-Gordeev-I-Lysogorskiy-Y-et-al--Si-Au-Al # implementation = 2020--Starikov-S--Si-Au-Al--LAMMPS--ipr1 # composition = AlAu3 # 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 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 4.241285308e+02 nan nan 0.98 3.939490920e+02 nan nan 1.00 3.665188439e+02 nan nan 1.02 3.412221151e+02 nan nan 1.04 3.179453066e+02 nan nan 1.06 2.965535546e+02 4.041445082e+02 nan 1.08 2.770642584e+02 3.782064087e+02 4.223407614e+02 1.10 2.593917625e+02 3.546322727e+02 3.957656944e+02 1.12 2.434476818e+02 3.325218636e+02 3.712569340e+02 1.14 2.290637209e+02 3.124122440e+02 3.486347620e+02 1.16 2.160919974e+02 2.937303111e+02 3.277779862e+02 1.18 2.043616241e+02 2.764107327e+02 3.086065040e+02 1.20 1.937207581e+02 2.603487775e+02 2.910327039e+02 1.22 1.840390934e+02 2.454837975e+02 2.749278137e+02 1.24 1.752240855e+02 2.317790345e+02 2.601810491e+02 1.26 1.671707111e+02 2.191805134e+02 2.466672265e+02 1.28 1.597936389e+02 2.077044343e+02 2.340405358e+02 1.30 1.530158414e+02 1.972534157e+02 2.225405933e+02 1.32 1.467799087e+02 1.877386811e+02 2.118288604e+02 1.34 1.410423709e+02 1.790426620e+02 2.018243017e+02 1.36 1.357893768e+02 1.710835740e+02 1.924723982e+02 1.38 1.309621469e+02 1.637929029e+02 1.837256776e+02 1.40 1.265260434e+02 1.571122099e+02 1.755514936e+02 1.42 1.224343192e+02 1.509743000e+02 1.679738817e+02 1.44 1.186454004e+02 1.453164098e+02 1.609496052e+02 1.46 1.151405421e+02 1.400901575e+02 1.544465458e+02 1.48 1.116253848e+02 1.352737295e+02 1.484363683e+02 1.50 1.085183305e+02 1.308468918e+02 1.428828270e+02 1.52 1.055333914e+02 1.267659733e+02 1.377532122e+02 1.54 1.026734590e+02 1.229799019e+02 1.330068102e+02 1.56 9.994848002e+01 1.194069535e+02 1.286260181e+02 1.58 9.736147292e+01 1.160080063e+02 1.245891633e+02 1.60 9.490436284e+01 1.128675539e+02 1.208711560e+02 1.62 9.257355250e+01 1.099013752e+02 1.174354458e+02 1.64 9.037734838e+01 1.071046100e+02 1.142433816e+02 1.66 8.833035767e+01 1.044681379e+02 1.112690519e+02 1.68 8.644798127e+01 1.019825174e+02 1.085008586e+02 1.70 8.473088879e+01 9.964042758e+01 1.059313266e+02 1.72 8.315975923e+01 9.742922394e+01 1.035525705e+02 1.74 8.171833827e+01 9.534149299e+01 1.013441017e+02 1.76 8.039445514e+01 9.337988586e+01 9.928285785e+01 1.78 7.918121374e+01 9.155082234e+01 9.735700854e+01 1.80 7.807083286e+01 8.984478081e+01 9.553955131e+01 1.82 7.699496909e+01 8.808430786e+01 9.356596301e+01 1.84 7.605809015e+01 8.654740398e+01 9.186980048e+01 1.86 7.519125416e+01 8.506938878e+01 9.021024528e+01 1.88 7.278918140e+01 8.365357878e+01 8.859212165e+01 1.90 6.155208204e+01 8.230177200e+01 8.701690914e+01 1.92 5.242574551e+01 8.101207851e+01 8.549020159e+01 1.94 4.399482262e+01 7.978258217e+01 8.401726747e+01 1.96 3.721639189e+01 7.861243602e+01 8.260331092e+01 1.98 3.165081513e+01 7.750061885e+01 8.124949393e+01 2.00 2.689047940e+01 7.644878088e+01 7.995861605e+01 2.02 2.266178235e+01 7.545989190e+01 7.873812818e+01 2.04 1.890755891e+01 7.083375484e+01 7.759649901e+01 2.06 1.556408922e+01 6.358370905e+01 7.654156346e+01 2.08 1.261845318e+01 5.551117444e+01 7.557258104e+01 2.10 1.010135145e+01 4.788021573e+01 7.467967176e+01 2.12 7.985477398e+00 4.096444691e+01 6.842819605e+01 2.14 6.221080351e+00 3.514943045e+01 5.889060374e+01 2.16 4.750264599e+00 3.018567957e+01 5.031755718e+01 2.18 3.535897832e+00 2.579171970e+01 4.193565474e+01 2.20 2.501921574e+00 2.181000534e+01 3.489249139e+01 2.22 1.611391651e+00 1.826272014e+01 2.910492301e+01 2.24 8.277596710e-01 1.513419556e+01 2.444844607e+01 2.26 1.265526439e-01 1.241937592e+01 2.070580814e+01 2.28 -5.065585164e-01 1.011924081e+01 1.761459052e+01 2.30 -1.075504001e+00 8.211306006e+00 1.497926012e+01 2.32 -1.592876296e+00 6.638772415e+00 1.267009139e+01 2.34 -2.070047894e+00 5.334999440e+00 1.060304519e+01 2.36 -2.517992110e+00 4.244405014e+00 8.746682671e+00 2.38 -2.946265448e+00 3.308341604e+00 7.133091487e+00 2.40 -3.160626265e+00 2.469050306e+00 5.730539179e+00 2.42 -3.301068823e+00 1.706112075e+00 4.524270531e+00 2.44 -3.423739728e+00 1.002854801e+00 3.476325240e+00 2.46 -3.524707015e+00 3.378975571e-01 2.551348292e+00 2.48 -3.605812984e+00 -2.924542297e-01 1.721785068e+00 2.50 -3.670486151e+00 -8.777448455e-01 9.652950797e-01 2.52 -3.721365651e+00 -1.419719941e+00 2.636252718e-01 2.54 -3.759172884e+00 -1.920749918e+00 -3.908888153e-01 2.56 -3.784672661e+00 -2.383561014e+00 -9.958558135e-01 2.58 -3.799504531e+00 -2.812270300e+00 -1.555559106e+00 2.60 -3.805958053e+00 -3.166690967e+00 -2.066441772e+00 2.62 -3.805888639e+00 -3.352324838e+00 -2.529336269e+00 2.64 -3.800293583e+00 -3.466806505e+00 -2.944368866e+00 2.66 -3.789214040e+00 -3.564240254e+00 -3.288519197e+00 2.68 -3.772745515e+00 -3.642913594e+00 -3.407137990e+00 2.70 -3.750629341e+00 -3.704967392e+00 -3.508933149e+00 2.72 -3.723366494e+00 -3.753070518e+00 -3.595803967e+00 2.74 -3.692527595e+00 -3.789750171e+00 -3.669117851e+00 2.76 -3.658669700e+00 -3.816532854e+00 -3.730068800e+00 2.78 -3.622248188e+00 -3.834357881e+00 -3.780624310e+00 2.80 -3.584915485e+00 -3.844277995e+00 -3.822593008e+00 2.82 -3.541788297e+00 -3.847464162e+00 -3.857182816e+00 2.84 -3.492260745e+00 -3.845022384e+00 -3.884211543e+00 2.86 -3.441332101e+00 -3.837945067e+00 -3.902944013e+00 2.88 -3.389067450e+00 -3.827159639e+00 -3.913034983e+00 2.90 -3.335644193e+00 -3.813158228e+00 -3.914992842e+00 2.92 -3.281562525e+00 -3.795375588e+00 -3.910132861e+00 2.94 -3.227754221e+00 -3.772842670e+00 -3.899990789e+00 2.96 -3.174966844e+00 -3.744579773e+00 -3.885707285e+00 2.98 -3.123217247e+00 -3.710900734e+00 -3.867428224e+00 3.00 -3.071854063e+00 -3.673446510e+00 -3.845360200e+00 3.02 -3.020401118e+00 -3.634027334e+00 -3.819801509e+00 3.04 -2.969059878e+00 -3.594533785e+00 -3.791087043e+00 3.06 -2.917961262e+00 -3.546527203e+00 -3.759886524e+00 3.08 -2.867008549e+00 -3.494031069e+00 -3.726854898e+00 3.10 -2.816008530e+00 -3.442110680e+00 -3.692314718e+00 3.12 -2.765480162e+00 -3.391325222e+00 -3.657264229e+00 3.14 -2.716468345e+00 -3.342310540e+00 -3.620288534e+00 3.16 -2.669975248e+00 -3.295023165e+00 -3.579270007e+00 3.18 -2.626610595e+00 -3.248990481e+00 -3.537753855e+00 3.20 -2.585187904e+00 -3.203373295e+00 -3.495040549e+00 3.22 -2.544320595e+00 -3.157121214e+00 -3.450173787e+00 3.24 -2.503271146e+00 -3.109091141e+00 -3.401968048e+00 3.26 -2.461691734e+00 -3.061401748e+00 -3.349250493e+00 3.28 -2.419137135e+00 -3.015660494e+00 -3.291633053e+00 3.30 -2.374505443e+00 -2.971678497e+00 -3.229714746e+00 3.32 -2.325714878e+00 -2.929195066e+00 -3.165022201e+00 3.34 -2.274908347e+00 -2.887936914e+00 -3.099434411e+00 3.36 -2.223421065e+00 -2.847643805e+00 -3.034932899e+00 3.38 -2.171526946e+00 -2.808055258e+00 -2.973527783e+00 3.40 -2.119566296e+00 -2.768898672e+00 -2.916867494e+00 3.42 -2.067786415e+00 -2.729895055e+00 -2.866145670e+00 3.44 -2.016169488e+00 -2.690735923e+00 -2.821359934e+00 3.46 -1.965562004e+00 -2.650883025e+00 -2.781554424e+00 3.48 -1.917292565e+00 -2.609805357e+00 -2.745718403e+00 3.50 -1.870955595e+00 -2.567056461e+00 -2.712799821e+00 3.52 -1.827487898e+00 -2.522151427e+00 -2.681704601e+00 3.54 -1.786168686e+00 -2.473773237e+00 -2.651294266e+00 3.56 -1.747791804e+00 -2.420963147e+00 -2.619936758e+00 3.58 -1.711185271e+00 -2.363925171e+00 -2.585228733e+00 3.60 -1.676623145e+00 -2.304189007e+00 -2.547367862e+00 3.62 -1.644104465e+00 -2.244514143e+00 -2.507695839e+00 3.64 -1.612510984e+00 -2.188148143e+00 -2.466042584e+00 3.66 -1.582107978e+00 -2.136205889e+00 -2.422259222e+00 3.68 -1.552553628e+00 -2.088955726e+00 -2.376789269e+00 3.70 -1.523708461e+00 -2.046796194e+00 -2.330080749e+00 3.72 -1.495319765e+00 -2.008443335e+00 -2.282713591e+00 3.74 -1.467014135e+00 -1.972719687e+00 -2.235374181e+00 3.76 -1.439002518e+00 -1.938239082e+00 -2.188441636e+00 3.78 -1.411236020e+00 -1.902493732e+00 -2.143026207e+00 3.80 -1.383746174e+00 -1.863635233e+00 -2.099056150e+00 3.82 -1.355981968e+00 -1.823767472e+00 -2.056071036e+00 3.84 -1.328167044e+00 -1.785711666e+00 -2.014625805e+00 3.86 -1.300236442e+00 -1.748882073e+00 -1.973630318e+00 3.88 -1.272571151e+00 -1.714006779e+00 -1.933505763e+00 3.90 -1.245016243e+00 -1.680484187e+00 -1.892852628e+00 3.92 -1.218056335e+00 -1.648836481e+00 -1.851930247e+00 3.94 -1.192082110e+00 -1.618733106e+00 -1.809030762e+00 3.96 -1.167530658e+00 -1.590170236e+00 -1.764122726e+00 3.98 -1.144718155e+00 -1.563133506e+00 -1.715534269e+00 4.00 -1.123524739e+00 -1.537734292e+00 -1.664155816e+00 4.02 -1.104249425e+00 -1.513398773e+00 -1.609924657e+00 4.04 -1.087121460e+00 -1.490236342e+00 -1.554329753e+00 4.06 -1.072262057e+00 -1.468197329e+00 -1.498289029e+00 4.08 -1.059813728e+00 -1.447012770e+00 -1.442914636e+00 4.10 -1.049935038e+00 -1.426399146e+00 -1.389425724e+00 4.12 -1.042682304e+00 -1.406403127e+00 -1.339201902e+00 4.14 -1.037966475e+00 -1.387094313e+00 -1.293853866e+00 4.16 -1.035647628e+00 -1.368333468e+00 -1.254488600e+00 4.18 -1.035570538e+00 -1.350019951e+00 -1.222874895e+00 4.20 -1.037575908e+00 -1.332306862e+00 -1.199784339e+00 4.22 -1.041492537e+00 -1.315201185e+00 -1.184070045e+00 4.24 -1.047143207e+00 -1.298831279e+00 -1.174797973e+00 4.26 -1.054415162e+00 -1.282993855e+00 -1.170882787e+00 4.28 -1.063228173e+00 -1.267746928e+00 -1.171146238e+00 4.30 -1.073489650e+00 -1.253190982e+00 -1.174384993e+00 4.32 -1.084977569e+00 -1.239312826e+00 -1.179382000e+00 4.34 -1.097571555e+00 -1.226127801e+00 -1.184917026e+00 4.36 -1.111188263e+00 -1.213675910e+00 -1.189791857e+00 4.38 -1.124876852e+00 -1.202000707e+00 -1.192924105e+00 4.40 -1.137666649e+00 -1.191123254e+00 -1.194271267e+00 4.42 -1.148733267e+00 -1.181070316e+00 -1.196099909e+00 4.44 -1.157124159e+00 -1.171872502e+00 -1.198293052e+00 4.46 -1.162082415e+00 -1.163592090e+00 -1.200720975e+00 4.48 -1.162967520e+00 -1.156315121e+00 -1.203244213e+00 4.50 -1.159049303e+00 -1.149926044e+00 -1.205719450e+00 4.52 -1.149756582e+00 -1.144570314e+00 -1.208003526e+00 4.54 -1.134594195e+00 -1.140300120e+00 -1.209961475e+00 4.56 -1.112864119e+00 -1.137241116e+00 -1.211468460e+00 4.58 -1.083785070e+00 -1.135244840e+00 -1.212398861e+00 4.60 -1.047158067e+00 -1.134454550e+00 -1.212627826e+00 4.62 -1.004071967e+00 -1.134830752e+00 -1.212029094e+00 4.64 -9.550342332e-01 -1.135894525e+00 -1.210473415e+00 4.66 -9.016694639e-01 -1.136959407e+00 -1.207830110e+00 4.68 -8.450239044e-01 -1.137724157e+00 -1.203968640e+00 4.70 -7.865486204e-01 -1.137594491e+00 -1.198757996e+00 4.72 -7.276520580e-01 -1.136104105e+00 -1.192063425e+00 4.74 -6.698487352e-01 -1.132647675e+00 -1.183793152e+00 4.76 -6.151105336e-01 -1.126897113e+00 -1.173995992e+00 4.78 -5.644775380e-01 -1.118487085e+00 -1.162749174e+00 4.80 -5.195617301e-01 -1.107142173e+00 -1.150123588e+00 4.82 -4.814419033e-01 -1.092324602e+00 -1.136184907e+00 4.84 -4.510606485e-01 -1.073711618e+00 -1.120991304e+00 4.86 -4.278293675e-01 -1.050865455e+00 -1.104607775e+00 4.88 -4.107327353e-01 -1.023652503e+00 -1.087151217e+00 4.90 -3.985109378e-01 -9.924198399e-01 -1.068755874e+00 4.92 -3.899707645e-01 -9.578268764e-01 -1.049407152e+00 4.94 -3.839715461e-01 -9.204979649e-01 -1.029052207e+00 4.96 -3.793246985e-01 -8.807666832e-01 -1.007856950e+00 4.98 -3.748120799e-01 -8.393557647e-01 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