# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1990--Ackland-G-J-Vitek-V--Cu-Ag-Au # implementation = 1990--Ackland-G-J--Cu-Ag-Au--LAMMPS--ipr1 # composition = Ag # 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 2023-05-12 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 6.418601066e+02 nan 0.68 nan nan nan nan nan nan nan nan 5.830328920e+02 nan 0.70 nan nan nan nan nan nan nan nan 5.307945579e+02 nan 0.72 nan nan nan nan nan 4.158130152e+02 nan nan 4.844492349e+02 nan 0.74 nan nan nan nan nan 3.798374168e+02 nan nan 4.430751626e+02 nan 0.76 nan nan nan nan nan 3.476581314e+02 nan nan 4.059184020e+02 nan 0.78 nan nan nan nan nan 3.186507313e+02 nan nan 3.724547991e+02 nan 0.80 nan nan nan 6.834043930e+02 6.834134518e+02 2.923527664e+02 nan nan 3.422032552e+02 4.708109099e+02 0.82 nan 4.340419026e+02 nan 6.315493053e+02 6.315456719e+02 2.686403824e+02 4.407624319e+02 nan 3.147983571e+02 4.342789954e+02 0.84 nan 4.008095435e+02 nan 5.844431382e+02 5.843902464e+02 2.472711752e+02 4.071045033e+02 nan 2.900087630e+02 4.012492450e+02 0.86 nan 3.706408770e+02 nan 5.416554625e+02 5.415897383e+02 2.278862446e+02 3.766110451e+02 nan 2.675466859e+02 3.711176260e+02 0.88 nan 3.431659522e+02 nan 5.027218563e+02 5.027056748e+02 2.102180422e+02 3.488716969e+02 nan 2.471145637e+02 3.436087392e+02 0.90 nan 3.181089822e+02 nan 4.671548180e+02 4.672025288e+02 1.940842829e+02 3.235385953e+02 nan 2.284746163e+02 3.184934005e+02 0.92 4.344457274e+02 2.952154143e+02 3.955977968e+02 4.346211865e+02 4.347173813e+02 1.793808427e+02 3.003266501e+02 4.071521696e+02 2.114112645e+02 2.954952329e+02 0.94 4.046093364e+02 2.742332394e+02 3.682023194e+02 4.048307406e+02 4.049294497e+02 1.659494252e+02 2.789734130e+02 3.791279874e+02 1.957641258e+02 2.744983828e+02 0.96 3.773692862e+02 2.549972345e+02 3.431486546e+02 3.774598300e+02 3.775110942e+02 1.536935482e+02 2.593336416e+02 3.534976601e+02 1.814020829e+02 2.553322376e+02 0.98 3.523567280e+02 2.373539902e+02 3.201669642e+02 3.522677462e+02 3.522532906e+02 1.425221427e+02 2.413482967e+02 3.299118408e+02 1.682138195e+02 2.377370886e+02 1.00 3.293087963e+02 2.211158113e+02 2.990805998e+02 3.291133770e+02 3.290328501e+02 1.322808742e+02 2.248739197e+02 3.081570712e+02 1.561009390e+02 2.214512361e+02 1.02 3.080065937e+02 2.061003467e+02 2.796784975e+02 3.078122157e+02 3.076951548e+02 1.228186272e+02 2.096870795e+02 2.880773166e+02 1.449653935e+02 2.063412128e+02 1.04 2.882949440e+02 1.922073356e+02 2.616558699e+02 2.881732082e+02 2.880709608e+02 1.139857019e+02 1.956156112e+02 2.694966890e+02 1.347182027e+02 1.923641257e+02 1.06 2.700083135e+02 1.793324295e+02 2.448436443e+02 2.699961704e+02 2.699411899e+02 1.057114101e+02 1.825581981e+02 2.522541979e+02 1.252890442e+02 1.794599010e+02 1.08 2.530280346e+02 1.674228623e+02 2.292288047e+02 2.531111997e+02 2.531077926e+02 9.801358806e+01 1.704633250e+02 2.362476782e+02 1.166260174e+02 1.675259098e+02 1.10 2.372841675e+02 1.563920517e+02 2.147726077e+02 2.374010459e+02 2.374412537e+02 9.093052219e+01 1.592495440e+02 2.214072508e+02 1.086578870e+02 1.564734401e+02 1.12 2.226614227e+02 1.461411723e+02 2.013527011e+02 2.227799084e+02 2.228578712e+02 8.443307046e+01 1.488317676e+02 2.076421956e+02 1.012864356e+02 1.462507845e+02 1.14 2.090802119e+02 1.366284882e+02 1.888758993e+02 2.091861146e+02 2.092847920e+02 7.844924039e+01 1.391404365e+02 1.948743529e+02 9.443692158e+01 1.368234252e+02 1.16 1.964724795e+02 1.278103852e+02 1.773043992e+02 1.965382205e+02 1.966267400e+02 7.293227499e+01 1.301354836e+02 1.830175341e+02 8.804944756e+01 1.281568465e+02 1.18 1.847300125e+02 1.196097394e+02 1.665422849e+02 1.847410603e+02 1.847938300e+02 6.783082467e+01 1.218133306e+02 1.719708211e+02 8.209176896e+01 1.201560469e+02 1.20 1.737493670e+02 1.119934524e+02 1.564911290e+02 1.737164817e+02 1.737303929e+02 6.310076187e+01 1.141452182e+02 1.616411632e+02 7.654902284e+01 1.127057093e+02 1.22 1.634917440e+02 1.049362689e+02 1.470709839e+02 1.634212085e+02 1.634021413e+02 5.869288047e+01 1.070582684e+02 1.519868814e+02 7.138307854e+01 1.057144328e+02 1.24 1.539291975e+02 9.836887190e+01 1.382520667e+02 1.538254533e+02 1.537809914e+02 5.457079270e+01 1.004638462e+02 1.429566327e+02 6.655351568e+01 9.911720470e+01 1.26 1.449757631e+02 9.221082837e+01 1.300167212e+02 1.448701801e+02 1.448135844e+02 5.071243222e+01 9.429757959e+01 1.344916525e+02 6.203471784e+01 9.291768220e+01 1.28 1.365352386e+02 8.642255990e+01 1.223184738e+02 1.364809654e+02 1.364261926e+02 4.710590056e+01 8.852193021e+01 1.265498295e+02 5.780580951e+01 8.712668142e+01 1.30 1.285788080e+02 8.100891366e+01 1.151185743e+02 1.286066188e+02 1.285655015e+02 4.375700448e+01 8.310417176e+01 1.191093512e+02 5.383889163e+01 8.171913091e+01 1.32 1.211309941e+02 7.595965757e+01 1.083628057e+02 1.212135150e+02 1.211914538e+02 4.065569951e+01 7.801413518e+01 1.121565449e+02 5.011503526e+01 7.667170296e+01 1.34 1.141789843e+02 7.123641101e+01 1.019892999e+02 1.142704869e+02 1.142674557e+02 3.776985249e+01 7.322332303e+01 1.056596351e+02 4.662273020e+01 7.195023507e+01 1.36 1.076829361e+02 6.680324352e+01 9.598702586e+01 1.077488745e+02 1.077599365e+02 3.507651464e+01 6.872016180e+01 9.957658454e+01 4.334644750e+01 6.751522296e+01 1.38 1.016077112e+02 6.263607291e+01 9.038861295e+01 1.016308681e+02 1.016506558e+02 3.257449939e+01 6.450463236e+01 9.387288302e+01 4.028104778e+01 6.333819578e+01 1.40 9.590171105e+01 5.873242085e+01 8.519920170e+01 9.589350118e+01 9.592157450e+01 3.026444329e+01 6.055516714e+01 8.852156540e+01 3.742161819e+01 5.939048713e+01 1.42 9.053673784e+01 5.509504837e+01 8.037725760e+01 9.051070537e+01 9.054505047e+01 2.813094405e+01 5.683723893e+01 8.350000835e+01 3.474928894e+01 5.566350265e+01 1.44 8.549430447e+01 5.170520156e+01 7.587939568e+01 8.545382563e+01 8.548835110e+01 2.616235826e+01 5.332108620e+01 7.877875051e+01 3.224700657e+01 5.215170302e+01 1.46 8.073870920e+01 4.852987780e+01 7.166540300e+01 8.069249033e+01 8.071933673e+01 2.434847646e+01 4.998590528e+01 7.432791496e+01 2.990836837e+01 4.883171373e+01 1.48 7.625107328e+01 4.553690062e+01 6.769370564e+01 7.620720019e+01 7.621620912e+01 2.266911469e+01 4.682002565e+01 7.013232962e+01 2.772904847e+01 4.569347316e+01 1.50 7.202410941e+01 4.269862430e+01 6.392993646e+01 7.198550307e+01 7.197038027e+01 2.110312810e+01 4.381548619e+01 6.618284615e+01 2.570094104e+01 4.273676921e+01 1.52 6.803955174e+01 4.000346731e+01 6.034443755e+01 6.801230231e+01 6.797717716e+01 1.963168607e+01 4.096908325e+01 6.246537612e+01 2.381255459e+01 3.995035332e+01 1.54 6.427118232e+01 3.745131717e+01 5.691612629e+01 6.426805183e+01 6.422530209e+01 1.824025958e+01 3.827883343e+01 5.896248064e+01 2.204897254e+01 3.731439661e+01 1.56 6.071538135e+01 3.503993786e+01 5.364875916e+01 6.073759635e+01 6.069672861e+01 1.692750237e+01 3.573660274e+01 5.566430409e+01 2.039805987e+01 3.482835239e+01 1.58 5.737447682e+01 3.276041366e+01 5.055509918e+01 5.740816700e+01 5.737335852e+01 1.569759711e+01 3.333343292e+01 5.255981884e+01 1.885173030e+01 3.249810931e+01 1.60 5.423725380e+01 3.059933528e+01 4.763582616e+01 5.426311852e+01 5.423549234e+01 1.454882970e+01 3.106552916e+01 4.962894444e+01 1.740386246e+01 3.031914623e+01 1.62 5.127844615e+01 2.853981928e+01 4.487348978e+01 5.128565899e+01 5.126590739e+01 1.347089050e+01 2.892853325e+01 4.684658489e+01 1.604864465e+01 2.827618607e+01 1.64 4.847470041e+01 2.656944385e+01 4.225454825e+01 4.846352330e+01 4.845247307e+01 1.245840189e+01 2.692161756e+01 4.419161095e+01 1.478136787e+01 2.635754672e+01 1.66 4.580546736e+01 2.468434448e+01 3.977574884e+01 4.578339119e+01 4.578181837e+01 1.151660448e+01 2.504296814e+01 4.164653051e+01 1.359515764e+01 2.455714518e+01 1.68 4.325088737e+01 2.288309925e+01 3.743433784e+01 4.322613458e+01 4.323466264e+01 1.065126917e+01 2.328522959e+01 3.919826311e+01 1.248093125e+01 2.286951831e+01 1.70 4.079614852e+01 2.116500240e+01 3.522040374e+01 4.077619953e+01 4.079547597e+01 9.859353905e+00 2.163611793e+01 3.684467493e+01 1.143001820e+01 2.128781357e+01 1.72 3.843037734e+01 1.953266274e+01 3.311844762e+01 3.842343079e+01 3.845426631e+01 9.130937447e+00 2.008616202e+01 3.458854890e+01 1.043661629e+01 1.980407937e+01 1.74 3.614431059e+01 1.799525692e+01 3.111284177e+01 3.616014588e+01 3.620326174e+01 8.455934553e+00 1.862758478e+01 3.243794170e+01 9.499418099e+00 1.841036503e+01 1.76 3.394569433e+01 1.655720333e+01 2.918798032e+01 3.398940586e+01 3.404313407e+01 7.824281022e+00 1.725250711e+01 3.040129282e+01 8.621192364e+00 1.709875296e+01 1.78 3.185322766e+01 1.521552289e+01 2.732882876e+01 3.191957866e+01 3.197854889e+01 7.226108627e+00 1.595307642e+01 2.848283493e+01 7.802347123e+00 1.586142365e+01 1.80 2.988371866e+01 1.396147261e+01 2.553103592e+01 2.995884068e+01 3.001582387e+01 6.654959928e+00 1.472409757e+01 2.667789897e+01 7.040612729e+00 1.469182517e+01 1.82 2.803438446e+01 1.278662647e+01 2.379997948e+01 2.810482597e+01 2.815463925e+01 6.107493318e+00 1.356231336e+01 2.497517205e+01 6.332316662e+00 1.358456583e+01 1.84 2.629415074e+01 1.168254458e+01 2.214468763e+01 2.635087136e+01 2.639131301e+01 5.582445555e+00 1.246724527e+01 2.336305604e+01 5.673409227e+00 1.253429134e+01 1.86 2.465142577e+01 1.064163974e+01 2.057380588e+01 2.468986280e+01 2.471978703e+01 5.082507121e+00 1.143914284e+01 2.183349246e+01 5.057587579e+00 1.153510474e+01 1.88 2.309454246e+01 9.657438097e+00 1.909204915e+01 2.311410375e+01 2.313230291e+01 4.611321777e+00 1.047697498e+01 2.038074406e+01 4.478115221e+00 1.058154780e+01 1.90 2.161431578e+01 8.725155567e+00 1.770035985e+01 2.161715509e+01 2.162251184e+01 4.170709483e+00 9.576496234e+00 1.900061443e+01 3.930525778e+00 9.675335730e+00 1.92 2.020553783e+01 7.840726514e+00 1.639135123e+01 2.019314353e+01 2.018429412e+01 3.758327853e+00 8.731905983e+00 1.768808234e+01 3.413372166e+00 8.821860357e+00 1.94 1.886610156e+01 7.000550052e+00 1.515673230e+01 1.883839709e+01 1.881383543e+01 3.371385049e+00 7.937352980e+00 1.643695612e+01 2.927106008e+00 8.025851376e+00 1.96 1.759163126e+01 6.201164009e+00 1.398887390e+01 1.754946589e+01 1.750946299e+01 3.007105683e+00 7.186995424e+00 1.524215878e+01 2.471636184e+00 7.284601262e+00 1.98 1.637627019e+01 5.440556360e+00 1.288210847e+01 1.632266336e+01 1.627013695e+01 2.662732552e+00 6.475094203e+00 1.410107945e+01 2.046838640e+00 6.590919676e+00 2.00 1.521415867e+01 4.718062010e+00 1.183178455e+01 1.515406578e+01 1.509431915e+01 2.336107176e+00 5.796678672e+00 1.301178050e+01 1.652255877e+00 5.937565362e+00 2.02 1.409945580e+01 4.034838065e+00 1.083631686e+01 1.403821044e+01 1.397701806e+01 2.027413700e+00 5.150058869e+00 1.197182151e+01 1.287235817e+00 5.317309083e+00 2.04 1.302634054e+01 3.393684896e+00 9.895623213e+00 1.296930325e+01 1.291226608e+01 1.737742506e+00 4.535066808e+00 1.097695751e+01 9.506123709e-01 4.722934536e+00 2.06 1.199022652e+01 2.796416244e+00 9.009387417e+00 1.194253454e+01 1.189484257e+01 1.467951011e+00 3.951547944e+00 1.002487279e+01 6.396901442e-01 4.148654732e+00 2.08 1.099415961e+01 2.245170271e+00 8.175438881e+00 1.095910436e+01 1.092404912e+01 1.217201012e+00 3.398032164e+00 9.117240932e+00 3.519783162e-01 3.597580688e+00 2.10 1.004414295e+01 1.739178576e+00 7.390898099e+00 1.002254590e+01 1.000094884e+01 9.840091416e-01 2.871904649e+00 8.256700632e+00 8.661448270e-02 3.076269983e+00 2.12 9.145996262e+00 1.276879929e+00 6.652908229e+00 9.136329057e+00 9.126661852e+00 7.669158873e-01 2.372443977e+00 7.445009022e+00 -1.563314670e-01 2.591092185e+00 2.14 8.300923648e+00 8.555780270e-01 5.958634678e+00 8.300844933e+00 8.300766219e+00 5.644861466e-01 1.900896660e+00 6.680371331e+00 -3.769225169e-01 2.143795414e+00 2.16 7.505508176e+00 4.716323350e-01 5.305023041e+00 7.513096943e+00 7.520685711e+00 3.751520811e-01 1.458840532e+00 5.959621603e+00 -5.760134698e-01 1.731500710e+00 2.18 6.756143959e+00 1.216949281e-01 4.688676250e+00 6.769853915e+00 6.783563870e+00 1.971482752e-01 1.046131390e+00 5.279702980e+00 -7.554653319e-01 1.351133976e+00 2.20 6.049238830e+00 -1.974736039e-01 4.106785346e+00 6.067914605e+00 6.086590380e+00 2.931257414e-02 6.617097695e-01 4.637574902e+00 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