# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1987--Ackland-G-J-Tichy-G-Vitek-V-Finnis-M-W--Au # implementation = 1987--Ackland-G-J--Au--LAMMPS--ipr1 # composition = Au # 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 8.776584405e+02 nan 0.68 nan nan nan nan nan nan nan nan 7.977436348e+02 nan 0.70 nan nan nan nan nan nan nan nan 7.267989040e+02 nan 0.72 nan nan nan nan nan 5.705279903e+02 nan nan 6.638853400e+02 nan 0.74 nan nan nan nan nan 5.217094679e+02 nan nan 6.077089597e+02 nan 0.76 nan nan nan nan nan 4.780544725e+02 nan nan 5.572476573e+02 nan 0.78 nan nan nan nan nan 4.386615392e+02 nan nan 5.117810326e+02 nan 0.80 nan nan nan 9.341376188e+02 9.341621080e+02 4.029295887e+02 nan nan 4.706482727e+02 6.453594211e+02 0.82 nan 5.954398180e+02 nan 8.637039886e+02 8.637077257e+02 3.707135492e+02 6.045502360e+02 nan 4.333754358e+02 5.957793310e+02 0.84 nan 5.503001582e+02 nan 7.997091148e+02 7.996317873e+02 3.416684553e+02 5.588457166e+02 nan 3.996759932e+02 5.509396880e+02 0.86 nan 5.093233184e+02 nan 7.416013233e+02 7.415056388e+02 3.152969022e+02 5.174569770e+02 nan 3.691550790e+02 5.099805235e+02 0.88 nan 4.720042980e+02 nan 6.887264709e+02 6.887023559e+02 2.912412389e+02 4.797924129e+02 nan 3.414073401e+02 4.725755576e+02 0.90 nan 4.379703722e+02 nan 6.404175109e+02 6.404849451e+02 2.692658830e+02 4.453687904e+02 nan 3.161032193e+02 4.384082911e+02 0.92 5.959640295e+02 4.068645403e+02 5.432201255e+02 5.962350142e+02 5.963708395e+02 2.492402688e+02 4.138018947e+02 5.588983569e+02 2.929452758e+02 4.071264474e+02 0.94 5.554429506e+02 3.783512332e+02 5.060037582e+02 5.557763801e+02 5.559128476e+02 2.309498295e+02 3.847384783e+02 5.208552143e+02 2.717112451e+02 3.786009413e+02 0.96 5.184692446e+02 3.522156423e+02 4.719778737e+02 5.185920489e+02 5.186588366e+02 2.142667315e+02 3.580147017e+02 4.860659646e+02 2.522153625e+02 3.525873933e+02 0.98 4.845182482e+02 3.282487813e+02 4.407731720e+02 4.843708717e+02 4.843431703e+02 1.990485337e+02 3.335694553e+02 4.540386192e+02 2.343028694e+02 3.287140454e+02 1.00 4.532270094e+02 3.061758158e+02 4.121643397e+02 4.529266475e+02 4.528032269e+02 1.850774845e+02 3.111976961e+02 4.244897904e+02 2.178269376e+02 3.066113270e+02 1.02 4.242897874e+02 2.857586438e+02 3.858307970e+02 4.239997730e+02 4.238289874e+02 1.721394983e+02 2.905836284e+02 3.972021516e+02 2.026333099e+02 2.861055516e+02 1.04 3.974973439e+02 2.668645006e+02 3.613265894e+02 3.973238416e+02 3.971822255e+02 1.600212124e+02 2.714886053e+02 3.719321804e+02 1.886098313e+02 2.671417754e+02 1.06 3.726177839e+02 2.493590062e+02 3.384396147e+02 3.726176794e+02 3.725505433e+02 1.486337938e+02 2.537760701e+02 3.484667545e+02 1.756718940e+02 2.496254931e+02 1.08 3.495115736e+02 2.331784638e+02 3.171815608e+02 3.496561099e+02 3.496666077e+02 1.380195707e+02 2.373742383e+02 3.266880434e+02 1.637626247e+02 2.334073570e+02 1.10 3.280948599e+02 2.181840551e+02 2.974996573e+02 3.282879420e+02 3.283633596e+02 1.282408038e+02 2.221540687e+02 3.065070193e+02 1.527852903e+02 2.183634906e+02 1.12 3.082103082e+02 2.042247634e+02 2.792233958e+02 3.084050376e+02 3.085345982e+02 1.192498251e+02 2.079771998e+02 2.878007355e+02 1.426056558e+02 2.044142966e+02 1.14 2.897584748e+02 1.912552751e+02 2.622512529e+02 2.899262638e+02 2.900799653e+02 1.109531454e+02 1.947501094e+02 2.704635958e+02 1.331251468e+02 1.915261928e+02 1.16 2.726441037e+02 1.792074139e+02 2.465367065e+02 2.727367601e+02 2.728642529e+02 1.032903582e+02 1.824303717e+02 2.543730722e+02 1.242644074e+02 1.796583352e+02 1.18 2.567038433e+02 1.679741715e+02 2.319362798e+02 2.567030799e+02 2.567677418e+02 9.618917080e+01 1.710250976e+02 2.393814092e+02 1.159891783e+02 1.686726336e+02 1.20 2.417967368e+02 1.575235093e+02 2.182986215e+02 2.417218627e+02 2.417224087e+02 8.958656067e+01 1.604935583e+02 2.253590503e+02 1.082820281e+02 1.584117389e+02 1.22 2.278784094e+02 1.478224155e+02 2.054997964e+02 2.277405436e+02 2.276878474e+02 8.341124418e+01 1.507297894e+02 2.122379969e+02 1.010877852e+02 1.487492556e+02 1.24 2.148915513e+02 1.387684324e+02 1.935074114e+02 2.147038930e+02 2.146131976e+02 7.761432636e+01 1.416105397e+02 1.999397758e+02 9.435104164e+01 1.396057619e+02 1.26 2.026989137e+02 1.302489295e+02 1.822906478e+02 2.025179555e+02 2.024123885e+02 7.216466856e+01 1.330551754e+02 1.883847841e+02 8.803884642e+01 1.310033401e+02 1.28 1.911678527e+02 1.222205734e+02 1.717825601e+02 1.910798970e+02 1.909830393e+02 6.705082416e+01 1.250200800e+02 1.775186484e+02 8.212052785e+01 1.229606533e+02 1.30 1.802805643e+02 1.146984933e+02 1.619284916e+02 1.803252430e+02 1.802559199e+02 6.228470122e+01 1.174644355e+02 1.673203075e+02 7.655517024e+01 1.154470870e+02 1.32 1.700820582e+02 1.076639520e+02 1.526448258e+02 1.702104938e+02 1.701770474e+02 5.784805961e+01 1.103514786e+02 1.577738822e+02 7.131762234e+01 1.084346078e+02 1.34 1.605436917e+02 1.010623679e+02 1.438480138e+02 1.606890673e+02 1.606918279e+02 5.369576547e+01 1.036472092e+02 1.488316568e+02 6.639005301e+01 1.018702588e+02 1.36 1.516127762e+02 9.484549039e+01 1.355393898e+02 1.517243372e+02 1.517553083e+02 4.981284380e+01 9.734444351e+01 1.404379690e+02 6.175087762e+01 9.569932090e+01 1.38 1.432406343e+02 8.898532196e+01 1.277756716e+02 1.432945161e+02 1.433451367e+02 4.620520207e+01 9.144608604e+01 1.325482816e+02 5.739599341e+01 8.987971684e+01 1.40 1.353560139e+02 8.348629001e+01 1.205610686e+02 1.353691604e+02 1.354373346e+02 4.287261404e+01 8.591758791e+01 1.251298682e+02 5.331854161e+01 8.437055686e+01 1.42 1.279270306e+02 7.835410566e+01 1.138353867e+02 1.279139872e+02 1.279934229e+02 3.979164857e+01 8.070835157e+01 1.181526983e+02 4.950080775e+01 7.916189198e+01 1.44 1.209278206e+02 7.356018611e+01 1.075436211e+02 1.208904456e+02 1.209686468e+02 3.694841326e+01 7.577536884e+01 1.115749648e+02 4.592339701e+01 7.424232990e+01 1.46 1.143083165e+02 6.905799325e+01 1.016335372e+02 1.142588148e+02 1.143205584e+02 3.432859760e+01 7.108947858e+01 1.053579630e+02 4.257877080e+01 6.957541298e+01 1.48 1.080490249e+02 6.480214504e+01 9.604888465e+01 1.079967977e+02 1.080239071e+02 3.190137748e+01 6.663384832e+01 9.948551368e+01 3.946122990e+01 6.515110563e+01 1.50 1.021417701e+02 6.075540818e+01 9.074422717e+01 1.020902767e+02 1.020734969e+02 2.963666020e+01 6.239685465e+01 9.394757196e+01 3.655932747e+01 6.096933441e+01 1.52 9.655804218e+01 5.690596828e+01 8.567931218e+01 9.651944361e+01 9.646693115e+01 2.750703695e+01 5.837438404e+01 8.872390480e+01 3.385628508e+01 5.700969076e+01 1.54 9.126492411e+01 5.325810988e+01 8.082887694e+01 9.125887123e+01 9.118993522e+01 2.549276175e+01 5.456221081e+01 8.379321262e+01 3.133061269e+01 5.324650183e+01 1.56 8.626476443e+01 4.981722653e+01 7.620470135e+01 8.629034915e+01 8.621881084e+01 2.359409373e+01 5.095333472e+01 7.914381330e+01 2.896604770e+01 4.969288581e+01 1.58 8.156221766e+01 4.657049434e+01 7.182741649e+01 8.159679586e+01 8.152917464e+01 2.181706066e+01 4.754065559e+01 7.476047643e+01 2.675156057e+01 4.636113453e+01 1.60 7.713713520e+01 4.349591455e+01 6.769418349e+01 7.715381977e+01 7.709341085e+01 2.015635487e+01 4.431843758e+01 7.061271500e+01 2.467865308e+01 4.324144380e+01 1.62 7.295380484e+01 4.056786439e+01 6.377841984e+01 7.294007985e+01 7.288972637e+01 1.859609460e+01 4.128059627e+01 6.666582420e+01 2.273927695e+01 4.031267389e+01 1.64 6.898053726e+01 3.776919252e+01 6.006350324e+01 6.894042870e+01 6.890302393e+01 1.713155119e+01 3.842672177e+01 6.289092550e+01 2.092673512e+01 3.756084567e+01 1.66 6.518943912e+01 3.509460372e+01 5.654599271e+01 6.513556311e+01 6.511349357e+01 1.577218562e+01 3.575399523e+01 5.926347982e+01 1.923006309e+01 3.497959980e+01 1.68 6.155363130e+01 3.254155248e+01 5.322326268e+01 6.149872559e+01 6.149383217e+01 1.452642919e+01 3.325012248e+01 5.576658516e+01 1.763577281e+01 3.256265986e+01 1.70 5.805270071e+01 3.010865872e+01 5.008583009e+01 5.800838932e+01 5.802252905e+01 1.338739878e+01 3.089782611e+01 5.240176034e+01 1.613137754e+01 3.029995704e+01 1.72 5.466959361e+01 2.780169791e+01 4.711025213e+01 5.464967767e+01 5.468502060e+01 1.234052597e+01 2.868459900e+01 4.918124545e+01 1.470915159e+01 2.817953062e+01 1.74 5.139807675e+01 2.563455544e+01 4.427217363e+01 5.141835301e+01 5.147660793e+01 1.137125051e+01 2.660022363e+01 4.611731945e+01 1.336893885e+01 2.618944880e+01 1.76 4.825848427e+01 2.361250663e+01 4.154735145e+01 4.832518462e+01 4.840333816e+01 1.046508489e+01 2.463367474e+01 4.322271886e+01 1.211522063e+01 2.431782733e+01 1.78 4.527941259e+01 2.172887476e+01 3.891354159e+01 4.538222627e+01 4.547140342e+01 9.608135111e+00 2.277461220e+01 4.050166816e+01 1.094824695e+01 2.255305520e+01 1.80 4.248329695e+01 1.997057801e+01 3.636736007e+01 4.260030424e+01 4.268947722e+01 8.791753140e+00 2.101643597e+01 3.794509556e+01 9.864154769e+00 2.088579174e+01 1.82 3.986166882e+01 1.832484632e+01 3.391651737e+01 3.997298628e+01 4.005452877e+01 8.010474286e+00 1.935520644e+01 3.553555854e+01 8.857375588e+00 1.930801225e+01 1.84 3.739814406e+01 1.677898385e+01 3.157541961e+01 3.749054376e+01 3.756078176e+01 7.263181520e+00 1.779146997e+01 3.325628694e+01 7.921388018e+00 1.781155315e+01 1.86 3.507504475e+01 1.532164604e+01 2.935514535e+01 3.514154892e+01 3.519762502e+01 6.554199682e+00 1.632593530e+01 3.109603587e+01 7.046248987e+00 1.638694964e+01 1.88 3.287499636e+01 1.394325916e+01 2.726317769e+01 3.291467944e+01 3.295371014e+01 5.888989123e+00 1.495698845e+01 2.904649188e+01 6.222105821e+00 1.502669504e+01 1.90 3.078507560e+01 1.263659003e+01 2.529880905e+01 3.080022811e+01 3.081950733e+01 5.268866237e+00 1.367779151e+01 2.710130211e+01 5.443208208e+00 1.373545253e+01 1.92 2.879862861e+01 1.139553361e+01 2.345071099e+01 2.878992746e+01 2.878631037e+01 4.689856606e+00 1.247982261e+01 2.525213148e+01 4.708184907e+00 1.252159909e+01 1.94 2.691204541e+01 1.021463111e+01 2.170699451e+01 2.687848416e+01 2.684921362e+01 4.147719354e+00 1.135449410e+01 2.348944990e+01 4.018040480e+00 1.139137221e+01 1.96 2.511769901e+01 9.088816024e+00 2.005721772e+01 2.506054442e+01 2.500618911e+01 3.638246690e+00 1.029321351e+01 2.180616166e+01 3.372465597e+00 1.033855796e+01 1.98 2.340653841e+01 8.015712991e+00 1.849351792e+01 2.333064129e+01 2.325603552e+01 3.157281805e+00 9.287402657e+00 2.019862962e+01 2.771201926e+00 9.352528919e+00 2.00 2.176957427e+01 6.994709287e+00 1.700992630e+01 2.168254918e+01 2.159589766e+01 2.702157543e+00 8.330023561e+00 1.866402137e+01 2.213383668e+00 8.422693656e+00 2.02 2.019788445e+01 6.028781328e+00 1.560521764e+01 2.010782375e+01 2.001780624e+01 2.273732944e+00 7.418899180e+00 1.719811336e+01 1.697999932e+00 7.538505572e+00 2.04 1.868261854e+01 5.122186558e+00 1.427960947e+01 1.859783744e+01 1.851305635e+01 1.873727532e+00 6.553402620e+00 1.579448475e+01 1.222828462e+00 6.689466895e+00 2.06 1.721849108e+01 4.278238079e+00 1.303248395e+01 1.714676471e+01 1.707503835e+01 1.503133071e+00 5.732798159e+00 1.445121138e+01 7.836666731e-01 5.869058041e+00 2.08 1.581221693e+01 3.499958729e+00 1.186025562e+01 1.575818679e+01 1.570415664e+01 1.160322753e+00 4.953760825e+00 1.317172885e+01 3.771417261e-01 5.084250280e+00 2.10 1.447307690e+01 2.786030510e+00 1.075872314e+01 1.443769903e+01 1.440232116e+01 8.431410349e-01 4.212529502e+00 1.196020365e+01 2.583147699e-03 4.344905612e+00 2.12 1.320950442e+01 2.134360118e+00 9.723716490e+00 1.319044617e+01 1.317138791e+01 5.494792141e-01 3.508459747e+00 1.081861545e+01 -3.398010728e-01 3.660042026e+00 2.14 1.202131591e+01 1.540719347e+00 8.751068963e+00 1.201565425e+01 1.200999259e+01 2.772628631e-01 2.843824309e+00 9.743554497e+00 -6.500610753e-01 3.030064491e+00 2.16 1.090332990e+01 1.000021479e+00 7.836002000e+00 1.090874610e+01 1.091416231e+01 2.414586108e-02 2.220589032e+00 8.730440013e+00 -9.297813800e-01 2.450384629e+00 2.18 9.850310912e+00 5.075410143e-01 6.973338926e+00 9.864962098e+00 9.879613285e+00 -2.123166759e-01 1.638089295e+00 7.774804876e+00 -1.181646618e+00 1.916365319e+00 2.20 8.857031790e+00 5.872089520e-02 6.159011524e+00 8.879598810e+00 8.902165829e+00 -4.336019708e-01 1.094941565e+00 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