# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2002--Mishin-Y-Mehl-M-J-Papaconstantopoulos-D-A--Ni-Al # implementation = 2002--Mishin-Y--Ni-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 5.177040588e+03 nan 0.76 nan nan nan nan nan nan nan nan 4.694007411e+03 nan 0.78 nan nan nan nan nan nan nan nan 4.259386445e+03 nan 0.80 nan nan nan nan nan 3.266120844e+03 nan nan 3.867402951e+03 nan 0.82 nan nan nan nan nan 2.968696299e+03 nan nan 3.513970334e+03 nan 0.84 nan nan nan nan nan 2.702088656e+03 nan nan 3.196508382e+03 nan 0.86 nan nan nan nan nan 2.463622995e+03 nan nan 2.911539379e+03 nan 0.88 nan nan nan nan nan 2.249682105e+03 nan nan 2.653640862e+03 nan 0.90 nan nan nan nan nan 2.056593669e+03 nan nan 2.419165175e+03 nan 0.92 nan 3.247737821e+03 nan 5.042973451e+03 5.043091337e+03 1.880991271e+03 nan nan 2.206158952e+03 3.254588529e+03 0.94 nan 2.978235155e+03 nan 4.658479654e+03 4.659073644e+03 1.719852352e+03 3.035504235e+03 nan 2.012360440e+03 2.985773755e+03 0.96 nan 2.731409576e+03 nan 4.306004525e+03 4.306814926e+03 1.573088247e+03 2.785585670e+03 nan 1.835766279e+03 2.740683953e+03 0.98 nan 2.504764956e+03 nan 3.981098261e+03 3.981546742e+03 1.441066000e+03 2.556808031e+03 nan 1.675331552e+03 2.517830468e+03 1.00 nan 2.296630179e+03 nan 3.681619081e+03 3.681305191e+03 1.321855949e+03 2.347488126e+03 nan 1.530160415e+03 2.314335203e+03 1.02 nan 2.105760672e+03 nan 3.406307910e+03 3.405556542e+03 1.212964231e+03 2.156492925e+03 nan 1.398556285e+03 2.126691325e+03 1.04 3.155801820e+03 1.930466499e+03 2.811441996e+03 3.153069005e+03 3.152586071e+03 1.112841306e+03 1.981656342e+03 2.912945433e+03 1.278579732e+03 1.953696766e+03 1.06 2.920090222e+03 1.769252986e+03 2.594783354e+03 2.919055489e+03 2.919116031e+03 1.020622934e+03 1.820716976e+03 2.691026531e+03 1.168856471e+03 1.795214496e+03 1.08 2.701071139e+03 1.620941572e+03 2.394909380e+03 2.702307164e+03 2.702810321e+03 9.357947332e+02 1.672272958e+03 2.486098969e+03 1.068295059e+03 1.649737192e+03 1.10 2.499164229e+03 1.484363810e+03 2.210858750e+03 2.501833977e+03 2.502619437e+03 8.578351269e+02 1.535117189e+03 2.297512159e+03 9.758707414e+02 1.516112332e+03 1.12 2.313466394e+03 1.358536705e+03 2.040725367e+03 2.316238953e+03 2.317027091e+03 7.860403372e+02 1.408210170e+03 2.124024995e+03 8.908316338e+02 1.394339512e+03 1.14 2.142355584e+03 1.243026527e+03 1.883491966e+03 2.143737985e+03 2.144201144e+03 7.200423426e+02 1.291373397e+03 1.963855345e+03 8.126571360e+02 1.283611864e+03 1.16 1.983957410e+03 1.137310420e+03 1.738488670e+03 1.983227718e+03 1.983203840e+03 6.596900773e+02 1.184833440e+03 1.815077375e+03 7.408789699e+02 1.181964159e+03 1.18 1.836633295e+03 1.040368399e+03 1.604732232e+03 1.834429606e+03 1.833940048e+03 6.043027966e+02 1.088042938e+03 1.676470312e+03 6.750102485e+02 1.087493864e+03 1.20 1.699302604e+03 9.509561628e+02 1.481257442e+03 1.696879045e+03 1.696078512e+03 5.528385864e+02 9.994788982e+02 1.547557965e+03 6.144918061e+02 9.991926687e+02 1.22 1.571235189e+03 8.683989002e+02 1.366696919e+03 1.569550040e+03 1.568770076e+03 5.044585395e+02 9.176170747e+02 1.427822699e+03 5.587868258e+02 9.169802344e+02 1.24 1.451800922e+03 7.924914191e+02 1.259478240e+03 1.451304107e+03 1.450908344e+03 4.586516789e+02 8.416071069e+02 1.316467576e+03 5.075479335e+02 8.410409185e+02 1.26 1.340424758e+03 7.229862375e+02 1.158981423e+03 1.341178102e+03 1.341307869e+03 4.153527248e+02 7.711378143e+02 1.212885893e+03 4.606166721e+02 7.710909133e+02 1.28 1.236768511e+03 6.595351029e+02 1.065673274e+03 1.238448581e+03 1.238976921e+03 3.750027821e+02 7.060294242e+02 1.116856309e+03 4.178597299e+02 7.064179442e+02 1.30 1.140803107e+03 6.016078740e+02 9.798606583e+02 1.142740023e+03 1.143456299e+03 3.381277436e+02 6.458970860e+02 1.028273404e+03 3.789700738e+02 6.464018492e+02 1.32 1.052328629e+03 5.484075468e+02 9.010464759e+02 1.053893035e+03 1.054662325e+03 3.047987434e+02 5.901368452e+02 9.467604930e+02 3.433745485e+02 5.907771054e+02 1.34 9.707392970e+02 4.992708818e+02 8.284492526e+02 9.717146332e+02 9.724630671e+02 2.745385242e+02 5.382578834e+02 8.717417881e+02 3.104569095e+02 5.395542742e+02 1.36 8.954091879e+02 4.539967306e+02 7.617124052e+02 8.958419017e+02 8.964484450e+02 2.468130302e+02 4.900971504e+02 8.026613121e+02 2.798060867e+02 4.927925921e+02 1.38 8.258569853e+02 4.124601688e+02 7.006903132e+02 8.257391221e+02 8.260158319e+02 2.213480540e+02 4.457367373e+02 7.389834265e+02 2.512377376e+02 4.503465279e+02 1.40 7.615284073e+02 3.742974475e+02 6.447959008e+02 7.608125930e+02 7.606241729e+02 1.979491698e+02 4.052889230e+02 6.801008260e+02 2.247106464e+02 4.116731990e+02 1.42 7.018023077e+02 3.391791012e+02 5.930959435e+02 7.005852249e+02 6.999717448e+02 1.763330144e+02 3.686526947e+02 6.254099368e+02 2.002487724e+02 3.759756734e+02 1.44 6.463174943e+02 3.069869736e+02 5.448250071e+02 6.448067591e+02 6.439523534e+02 1.561645848e+02 3.353991177e+02 5.745179833e+02 1.777753437e+02 3.425457866e+02 1.46 5.949475371e+02 2.775359645e+02 4.997155051e+02 5.933307664e+02 5.924352996e+02 1.371982990e+02 3.048990399e+02 5.272122534e+02 1.570640996e+02 3.109621541e+02 1.48 5.474134221e+02 2.503680077e+02 4.578425402e+02 5.459020908e+02 5.451186747e+02 1.193371331e+02 2.765999438e+02 4.832587023e+02 1.378701338e+02 2.811812042e+02 1.50 5.031009124e+02 2.250131360e+02 4.192084280e+02 5.020655557e+02 5.015133203e+02 1.033229378e+02 2.502015611e+02 4.423758239e+02 1.200496357e+02 2.534459948e+02 1.52 4.614413413e+02 2.013196010e+02 3.835498997e+02 4.613235138e+02 4.610919281e+02 9.013768117e+01 2.255928152e+02 4.043692069e+02 1.035234092e+02 2.280221614e+02 1.54 4.223079094e+02 1.794379568e+02 3.504536817e+02 4.233362643e+02 4.234643158e+02 7.927283503e+01 2.026926962e+02 3.691928422e+02 8.818026069e+01 2.049088602e+02 1.56 3.860206997e+02 1.594758757e+02 3.195107395e+02 3.879535568e+02 3.884040254e+02 7.022416495e+01 1.813817418e+02 3.368554130e+02 7.408653099e+01 1.838700452e+02 1.58 3.528611070e+02 1.412493048e+02 2.903844231e+02 3.550825222e+02 3.557586450e+02 6.257357869e+01 1.615504605e+02 3.072355923e+02 6.248802387e+01 1.645953906e+02 1.60 3.226869449e+02 1.243933178e+02 2.629229771e+02 3.245766702e+02 3.253614050e+02 5.602940736e+01 1.431484247e+02 2.800378688e+02 5.316615931e+01 1.467738449e+02 1.62 2.950668461e+02 1.086131595e+02 2.372651273e+02 2.962696445e+02 2.970573386e+02 5.039347688e+01 1.262003932e+02 2.549226131e+02 4.563254158e+01 1.301463406e+02 1.64 2.695620361e+02 9.382398488e+01 2.137477954e+02 2.700313782e+02 2.707512625e+02 4.550078136e+01 1.107284453e+02 2.316288770e+02 3.948978891e+01 1.145092299e+02 1.66 2.458492851e+02 8.011011905e+01 1.925870582e+02 2.457434631e+02 2.463668703e+02 4.119657829e+01 9.662799470e+01 2.100038500e+02 3.442252151e+01 9.973871999e+01 1.68 2.237474336e+02 6.757219098e+01 1.736339977e+02 2.232663717e+02 2.237801650e+02 3.735709960e+01 8.364810271e+01 1.899490585e+02 3.018723548e+01 8.581152251e+01 1.70 2.031418145e+02 5.619119602e+01 1.564814043e+02 2.024221635e+02 2.027931420e+02 3.390007997e+01 7.149770009e+01 1.713232472e+02 2.660523616e+01 7.275230916e+01 1.72 1.839179044e+02 4.601502505e+01 1.407199689e+02 1.830297811e+02 1.831937176e+02 3.077022612e+01 5.996251849e+01 1.539438569e+02 2.354526806e+01 6.073356816e+01 1.74 1.659439230e+02 3.748179990e+01 1.260652390e+02 1.649438581e+02 1.648241734e+02 2.792676967e+01 4.948386389e+01 1.376495571e+02 2.090168060e+01 5.080589521e+01 1.76 1.491031326e+02 3.041775019e+01 1.123260780e+02 1.480753203e+02 1.476207120e+02 2.533987994e+01 4.086653053e+01 1.223547071e+02 1.858626654e+01 4.276624380e+01 1.78 1.333194219e+02 2.458957961e+01 9.934017539e+01 1.323730220e+02 1.315961521e+02 2.298761362e+01 3.387343087e+01 1.080455901e+02 1.653260660e+01 3.624566790e+01 1.80 1.185307508e+02 1.984516876e+01 8.696015364e+01 1.177814247e+02 1.167780750e+02 2.085042771e+01 2.823626396e+01 9.471312279e+01 1.469833033e+01 3.093932224e+01 1.82 1.046631661e+02 1.603349455e+01 7.509725079e+01 1.042201298e+02 1.031516336e+02 1.890547501e+01 2.369985952e+01 8.231580433e+01 1.305781428e+01 2.659345323e+01 1.84 9.165831476e+01 1.298244053e+01 6.375552682e+01 9.158913657e+01 9.062565583e+01 1.712591885e+01 2.003672598e+01 7.079641589e+01 1.159146832e+01 2.300731815e+01 1.86 7.952435420e+01 1.052111124e+01 5.302276743e+01 7.980054931e+01 7.905893020e+01 1.548527924e+01 1.705730410e+01 6.011020773e+01 1.027883222e+01 2.002061215e+01 1.88 6.831605222e+01 8.510172951e+00 4.317115089e+01 6.879629876e+01 6.831448627e+01 1.396327647e+01 1.461173681e+01 5.021630543e+01 9.098144705e+00 1.749658650e+01 1.90 5.804495546e+01 6.853168475e+00 3.511911239e+01 5.852620470e+01 5.828288116e+01 1.254785326e+01 1.258145769e+01 4.132658663e+01 8.029417295e+00 1.532351297e+01 1.92 4.861653421e+01 5.488157760e+00 2.862702015e+01 4.893014184e+01 4.888432327e+01 1.123208005e+01 1.087044684e+01 3.393547464e+01 7.056732530e+00 1.342395644e+01 1.94 4.024779208e+01 4.371215586e+00 2.334204538e+01 4.031972943e+01 4.041716232e+01 1.000963778e+01 9.400750995e+00 2.776296325e+01 6.168646909e+00 1.175099760e+01 1.96 3.321772464e+01 3.462329574e+00 1.902047997e+01 3.316262238e+01 3.333131386e+01 8.873629804e+00 8.112280949e+00 2.259888840e+01 5.357165154e+00 1.027249443e+01 1.98 2.728300395e+01 2.720309483e+00 1.548757316e+01 2.720799193e+01 2.739862117e+01 7.818543585e+00 6.964409325e+00 1.830902302e+01 4.616195825e+00 8.959628249e+00 2.00 2.228902323e+01 2.104542890e+00 1.259659322e+01 2.224598379e+01 2.242335330e+01 6.841629481e+00 5.933746935e+00 1.479394878e+01 3.939765962e+00 7.785310439e+00 2.02 1.812165232e+01 1.578828913e+00 1.021766381e+01 1.811708533e+01 1.825839602e+01 5.941900417e+00 5.008031157e+00 1.195697727e+01 3.320858219e+00 6.728409880e+00 2.04 1.468392873e+01 1.113359682e+00 8.247549405e+00 1.470258376e+01 1.479661935e+01 5.117713168e+00 4.179531611e+00 9.691204425e+00 2.751619302e+00 5.776196022e+00 2.06 1.189102075e+01 6.852163506e-01 6.615305563e+00 1.190986799e+01 1.195431388e+01 4.365462429e+00 3.440531614e+00 7.881646078e+00 2.224562985e+00 4.920892235e+00 2.08 9.657267187e+00 2.799737611e-01 5.274203990e+00 9.652915280e+00 9.652243717e+00 3.679933453e+00 2.782473870e+00 6.415763544e+00 1.734197706e+00 4.155849474e+00 2.10 7.881937403e+00 -1.071698158e-01 4.188568046e+00 7.838999042e+00 7.803829126e+00 3.055280702e+00 2.196609619e+00 5.196858529e+00 1.277850179e+00 3.473724005e+00 2.12 6.450197167e+00 -4.734399981e-01 3.322279896e+00 6.370096576e+00 6.316273239e+00 2.485884688e+00 1.674364885e+00 4.153794163e+00 8.549236321e-01 2.866252194e+00 2.14 5.254226478e+00 -8.129181348e-01 2.632713700e+00 5.155963245e+00 5.101319912e+00 1.966730184e+00 1.207323019e+00 3.243095650e+00 4.655361146e-01 2.324925131e+00 2.16 4.217325361e+00 -1.120616423e+00 2.071918542e+00 4.127525725e+00 4.086894361e+00 1.493322091e+00 7.869714647e-01 2.442996536e+00 1.093754371e-01 1.841631656e+00 2.18 3.299989281e+00 -1.394645464e+00 1.592781102e+00 3.240496215e+00 3.222162674e+00 1.061758437e+00 4.051770279e-01 1.742923678e+00 -2.147421279e-01 1.408448104e+00 2.20 2.488022661e+00 -1.636101835e+00 1.157441922e+00 2.469168181e+00 2.474854022e+00 6.688526361e-01 5.525849356e-02 1.134698864e+00 -5.087696524e-01 1.017333839e+00 2.22 1.776705249e+00 -1.847794803e+00 7.426653300e-01 1.797457373e+00 1.824931852e+00 3.121252163e-01 -2.671067431e-01 6.084848724e-01 -7.751271527e-01 6.600732392e-01 2.24 1.160457781e+00 -2.033141408e+00 3.397204101e-01 1.212735036e+00 1.258725415e+00 -1.044402696e-02 -5.638774825e-01 1.523512216e-01 -1.016370710e+00 3.287476075e-01 2.26 6.290233966e-01 -2.195431084e+00 -4.956304135e-02 7.030069783e-01 7.648363853e-01 -3.008218161e-01 -8.355903792e-01 -2.453152264e-01 -1.234849320e+00 1.687350159e-02 2.28 1.687350056e-01 -2.337707062e+00 -4.181858133e-01 2.565330581e-01 3.322100096e-01 -5.612260987e-01 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