# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Agrawal-A-Mirzaeifar-R--Cu-C # implementation = 2021--Agrawal-A--Cu-C--LAMMPS--ipr1 # composition = Cu # 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 1.979132343e+02 nan nan nan nan 0.80 nan nan nan nan nan 1.852128666e+02 nan nan nan nan 0.82 nan nan nan nan nan 1.732754013e+02 nan nan 2.013703274e+02 nan 0.84 nan nan nan nan nan 1.620569098e+02 nan nan 1.871424524e+02 nan 0.86 nan nan nan nan nan 1.515159110e+02 nan nan 1.738594710e+02 nan 0.88 nan nan nan nan nan 1.416132388e+02 nan nan 1.614607074e+02 nan 0.90 nan 3.085336730e+02 nan nan nan 1.323119163e+02 nan nan 1.498892945e+02 2.033411194e+02 0.92 nan 2.856735941e+02 nan nan nan 1.235770371e+02 2.238064556e+02 nan 1.390919386e+02 1.899526249e+02 0.94 nan 2.644016502e+02 nan nan nan 1.153756523e+02 2.081213971e+02 nan 1.290186990e+02 1.773832422e+02 0.96 nan 2.446116245e+02 nan nan nan 1.076766637e+02 1.934651053e+02 nan 1.196227806e+02 1.655849827e+02 0.98 nan 2.262042033e+02 2.953178475e+02 nan nan 1.004507233e+02 1.797724559e+02 nan 1.108603395e+02 1.545125829e+02 1.00 nan 2.090865375e+02 2.751412853e+02 nan 3.023941848e+02 9.367013700e+01 1.669823504e+02 2.824082867e+02 1.026903002e+02 1.441233535e+02 1.02 2.825467502e+02 1.931718326e+02 2.562553142e+02 2.825804906e+02 2.826142309e+02 8.730877466e+01 1.550374717e+02 2.634879825e+02 9.507418383e+01 1.343770366e+02 1.04 2.639743701e+02 1.783789630e+02 2.385804821e+02 2.640075542e+02 2.640407382e+02 8.134198401e+01 1.438840544e+02 2.457475431e+02 8.797594747e+01 1.252356707e+02 1.06 2.465379654e+02 1.646321115e+02 2.220420916e+02 2.465705996e+02 2.466032337e+02 7.574650957e+01 1.334716686e+02 2.291165389e+02 8.136183248e+01 1.166634626e+02 1.08 2.301710444e+02 1.518604298e+02 2.065699223e+02 2.302031350e+02 2.302352256e+02 7.050041599e+01 1.237530167e+02 2.135286057e+02 7.520022273e+01 1.086266672e+02 1.10 2.148108777e+02 1.399977221e+02 1.920979685e+02 2.148424310e+02 2.148739842e+02 6.558301530e+01 1.146837428e+02 1.989212161e+02 6.946151122e+01 1.010934728e+02 1.12 2.003982909e+02 1.289821463e+02 1.785641923e+02 2.004293131e+02 2.004603352e+02 6.097479809e+01 1.062222527e+02 1.852354645e+02 6.411797485e+01 9.403389361e+01 1.14 1.868774699e+02 1.187559357e+02 1.659102907e+02 1.869079671e+02 1.869384642e+02 5.665736858e+01 9.832954573e+01 1.724158632e+02 5.914365715e+01 8.741966755e+01 1.16 1.741957748e+02 1.092651373e+02 1.540814763e+02 1.742257530e+02 1.742557312e+02 5.261338287e+01 9.096905611e+01 1.604101498e+02 5.451425776e+01 8.122415976e+01 1.18 1.623035647e+02 1.004593663e+02 1.430262702e+02 1.623330300e+02 1.623624954e+02 4.882649074e+01 8.410650378e+01 1.491691050e+02 5.020702911e+01 7.542227152e+01 1.20 1.511540326e+02 9.229157676e+01 1.326963075e+02 1.511829910e+02 1.512119493e+02 4.528128062e+01 7.770975456e+01 1.386463809e+02 4.620067924e+01 6.999035413e+01 1.22 1.407030475e+02 8.471784618e+01 1.230461530e+02 1.407315048e+02 1.407599621e+02 4.196322726e+01 7.174868848e+01 1.287983384e+02 4.247528061e+01 6.490612733e+01 1.24 1.309090065e+02 7.769717364e+01 1.140331289e+02 1.309369685e+02 1.309649306e+02 3.885864257e+01 6.619507625e+01 1.195838936e+02 3.901218456e+01 6.014860251e+01 1.26 1.217326943e+02 7.119129087e+01 1.056171511e+02 1.217601669e+02 1.217876395e+02 3.595462887e+01 6.102246305e+01 1.109643727e+02 3.579394110e+01 5.569800988e+01 1.28 1.131371503e+02 6.516448516e+01 9.776057615e+01 1.131641391e+02 1.131911280e+02 3.323903477e+01 5.620605934e+01 1.029033748e+02 3.280422350e+01 5.153572973e+01 1.30 1.050875429e+02 5.958343349e+01 9.042805591e+01 1.051140537e+02 1.051405644e+02 3.070041348e+01 5.172263842e+01 9.536664286e+01 3.002775769e+01 4.764422758e+01 1.32 9.755105085e+01 5.441704716e+01 8.358640172e+01 9.757708908e+01 9.760312732e+01 2.832798329e+01 4.755044004e+01 8.832194092e+01 2.745025593e+01 4.400699277e+01 1.34 9.049675053e+01 4.963632622e+01 7.720445570e+01 9.052232181e+01 9.054789309e+01 2.611159027e+01 4.366907985e+01 8.173893880e+01 2.505835457e+01 4.060848043e+01 1.36 8.389551011e+01 4.521422330e+01 7.125297001e+01 8.392061993e+01 8.394572974e+01 2.404167301e+01 4.005946451e+01 7.558910302e+01 2.283955579e+01 3.743405684e+01 1.38 7.771988875e+01 4.112551589e+01 6.570449279e+01 7.774454253e+01 7.776919632e+01 2.210922925e+01 3.670371174e+01 6.984559372e+01 2.078217279e+01 3.446994759e+01 1.40 7.194404167e+01 3.734668697e+01 6.053326091e+01 7.196824480e+01 7.199244792e+01 2.030578429e+01 3.358507537e+01 6.448316739e+01 1.887527850e+01 3.170318873e+01 1.42 6.654363045e+01 3.385581307e+01 5.571509906e+01 6.656738824e+01 6.659114602e+01 1.862336128e+01 3.068787490e+01 5.947808509e+01 1.710865741e+01 2.912158066e+01 1.44 6.149573792e+01 3.063245962e+01 5.122732451e+01 6.151905564e+01 6.154237335e+01 1.705445296e+01 2.799742931e+01 5.480802561e+01 1.547276040e+01 2.671364445e+01 1.46 5.677878808e+01 2.765758297e+01 4.704865766e+01 5.680167094e+01 5.682455380e+01 1.559199508e+01 2.549999499e+01 5.045200373e+01 1.395866243e+01 2.446858072e+01 1.48 5.237247019e+01 2.491343858e+01 4.315913771e+01 5.239492336e+01 5.241737653e+01 1.422934122e+01 2.318270739e+01 4.639029292e+01 1.255802284e+01 2.237623075e+01 1.50 4.825766700e+01 2.238349530e+01 3.954004325e+01 4.827969559e+01 4.830172417e+01 1.296023899e+01 2.103352620e+01 4.260435237e+01 1.126304804e+01 2.042703972e+01 1.52 4.441638716e+01 2.005235494e+01 3.617381766e+01 4.443799622e+01 4.445960527e+01 1.177880759e+01 1.904118400e+01 3.907675821e+01 1.006645674e+01 1.861202210e+01 1.54 4.083170108e+01 1.790567727e+01 3.304399872e+01 4.085289562e+01 4.087409015e+01 1.067951660e+01 1.719513791e+01 3.579113854e+01 8.961447077e+00 1.692272887e+01 1.56 3.748768047e+01 1.593010956e+01 3.013515245e+01 3.750846544e+01 3.752925041e+01 9.657165870e+00 1.548552430e+01 3.273211216e+01 7.941666043e+00 1.535121661e+01 1.58 3.436934127e+01 1.411322101e+01 2.743281090e+01 3.438972157e+01 3.441010188e+01 8.706866628e+00 1.390311623e+01 2.988523073e+01 7.001180692e+00 1.389001840e+01 1.60 3.146258959e+01 1.244344109e+01 2.492341351e+01 3.148257008e+01 3.150255058e+01 7.824023569e+00 1.243928352e+01 2.723692423e+01 6.134451184e+00 1.253211619e+01 1.62 2.875417074e+01 1.091000216e+01 2.259425194e+01 2.877375623e+01 2.879334172e+01 7.004317958e+00 1.108595524e+01 2.477444947e+01 5.336305524e+00 1.127091485e+01 1.64 2.623162114e+01 9.502885606e+00 2.043341831e+01 2.625081638e+01 2.627001162e+01 6.243691695e+00 9.835584565e+00 2.248584165e+01 4.601915913e+00 1.010021765e+01 1.66 2.388322275e+01 8.212771618e+00 1.842975631e+01 2.390203245e+01 2.392084214e+01 5.538332216e+00 8.681115701e+00 2.035986846e+01 3.926776525e+00 9.014203097e+00 1.68 2.169796018e+01 7.030992176e+00 1.657281535e+01 2.171638899e+01 2.173481780e+01 4.884658295e+00 7.615952961e+00 1.838598697e+01 3.306682752e+00 8.007403085e+00 1.70 1.966548014e+01 5.949487111e+00 1.485280739e+01 1.968353268e+01 1.970158521e+01 4.279306615e+00 6.633931667e+00 1.655430296e+01 2.737711723e+00 7.074682303e+00 1.72 1.777605312e+01 4.960763059e+00 1.326056629e+01 1.779373394e+01 1.781141476e+01 3.719119070e+00 5.729290862e+00 1.485553247e+01 2.216204040e+00 6.211218759e+00 1.74 1.602053727e+01 4.057855081e+00 1.178750972e+01 1.603785090e+01 1.605516453e+01 3.201130829e+00 4.896647741e+00 1.328096568e+01 1.738746714e+00 5.412485470e+00 1.76 1.439034432e+01 3.234290830e+00 1.042560320e+01 1.440729522e+01 1.442424612e+01 2.722559033e+00 4.130973635e+00 1.182243275e+01 1.302157134e+00 4.674233138e+00 1.78 1.287740728e+01 2.484057034e+00 9.167326303e+00 1.289399989e+01 1.291059249e+01 2.280792130e+00 3.427571480e+00 1.047227170e+01 9.034680790e-01 3.992473817e+00 1.80 1.147415019e+01 1.801568239e+00 8.005641045e+00 1.149038888e+01 1.150662756e+01 1.873379846e+00 2.782054722e+00 9.223298141e+00 5.399136783e-01 3.363465552e+00 1.82 1.017345932e+01 1.181637561e+00 6.933961939e+00 1.018934842e+01 1.020523751e+01 1.498023679e+00 2.190327479e+00 8.068776667e+00 2.089162549e-01 2.783697834e+00 1.84 8.968656168e+00 6.194494153e-01 5.946128006e+00 8.984199962e+00 8.999743757e+00 1.152567958e+00 1.648565980e+00 7.002393979e+00 -9.192599030e-02 2.249877918e+00 1.86 7.853471936e+00 1.105340282e-01 5.036376432e+00 7.868674676e+00 7.883877416e+00 8.349914132e-01 1.153201147e+00 6.018233557e+00 -3.648504955e-01 1.758917933e+00 1.88 6.822023420e+00 -3.492563535e-01 4.199317770e+00 6.836889306e+00 6.851755193e+00 5.433992011e-01 7.009022435e-01 5.110751757e+00 -6.119411502e-01 1.307922688e+00 1.90 5.868790320e+00 -7.637696637e-01 3.429912695e+00 5.883323511e+00 5.897856701e+00 2.760154090e-01 2.885615767e-01 4.274755337e+00 -8.351383844e-01 8.941782246e-01 1.92 4.988593813e+00 -1.136574749e+00 2.723450137e+00 5.002798422e+00 5.017003031e+00 3.117597775e-02 -8.671986352e-02 3.505380266e+00 -1.036248632e+00 5.151410007e-01 1.94 4.176576319e+00 -1.470980708e+00 2.075526720e+00 4.190456419e+00 4.204336518e+00 -1.926779812e-01 -4.276458704e-01 2.798071782e+00 -1.216953185e+00 1.684276889e-01 1.96 3.428182491e+00 -1.770054941e+00 1.482027501e+00 3.441742111e+00 3.455301731e+00 -3.970064619e-01 -7.367376222e-01 2.148565619e+00 -1.378816473e+00 -1.481944049e-01 1.98 2.739141228e+00 -2.036639985e+00 9.391078213e-01 2.752384356e+00 2.765627484e+00 -5.831765017e-01 -1.016345511e+00 1.552870310e+00 -1.523293814e+00 -4.368164018e-01 2.00 2.105448734e+00 -2.273369225e+00 4.431762883e-01 2.118379317e+00 2.131309899e+00 -7.524677704e-01 -1.268660223e+00 1.007250539e+00 -1.651738672e+00 -6.993963767e-01 2.02 1.523352585e+00 -2.482681534e+00 -9.121189782e-03 1.535974529e+00 1.548596472e+00 -9.060778266e-01 -1.495723112e+00 5.082114927e-01 -1.765409436e+00 -9.377673730e-01 2.04 9.893366564e-01 -2.666834940e+00 -4.209164306e-01 1.001653826e+00 1.013970996e+00 -1.045127088e+00 -1.699435934e+00 5.248409858e-02 -1.865475772e+00 -1.153644983e+00 2.06 5.001069537e-01 -2.827919357e+00 -7.951330592e-01 5.121231741e-01 5.241393946e-01 -1.170663504e+00 -1.881569954e+00 -3.629888514e-01 -1.953024556e+00 -1.348634465e+00 2.08 5.257826616e-02 -2.967868458e+00 -1.134499726e+00 6.429732259e-02 7.601637902e-02 -1.283666952e+00 -2.043774482e+00 -7.410657504e-01 -2.029065424e+00 -1.524237448e+00 2.10 -3.561384450e-01 -3.088470741e+00 -1.441562536e+00 -3.447128069e-01 -3.332871688e-01 -1.385053392e+00 -2.187584871e+00 -1.084418464e+00 -2.094535973e+00 -1.681858259e+00 2.12 -7.287478847e-01 -3.191379838e+00 -1.718696690e+00 -7.176119582e-01 -7.064760317e-01 -1.475678767e+00 -2.314430001e+00 -1.395543879e+00 -2.150306605e+00 -1.822809862e+00 2.14 -1.067781596e+00 -3.278124127e+00 -1.968117415e+00 -1.056931713e+00 -1.046081830e+00 -1.556342681e+00 -2.425639288e+00 -1.676774776e+00 -2.197185070e+00 -1.948319459e+00 2.16 -1.375608492e+00 -3.350115678e+00 -2.191890234e+00 -1.365041023e+00 -1.354473554e+00 -1.627791864e+00 -2.522449257e+00 -1.930290050e+00 -2.235920710e+00 -2.059533766e+00 2.18 -1.654444744e+00 -3.408658591e+00 -2.391940573e+00 -1.644156097e+00 -1.633867450e+00 -1.690723423e+00 -2.606009683e+00 -2.158124312e+00 -2.267208424e+00 -2.157523963e+00 2.20 -1.906363119e+00 -3.454956758e+00 -2.570062801e+00 -1.896349740e+00 -1.886336361e+00 -1.745787915e+00 -2.677389342e+00 -2.362176922e+00 -2.291692368e+00 -2.243290371e+00 2.22 -2.133301764e+00 -3.490121096e+00 -2.727928699e+00 -2.123560137e+00 -2.113818509e+00 -1.793592234e+00 -2.737581404e+00 -2.544220494e+00 -2.309969429e+00 -2.317766839e+00 2.24 -2.337072459e+00 -3.515176267e+00 -2.867095383e+00 -2.327599102e+00 -2.318125745e+00 -1.834702321e+00 -2.787508467e+00 -2.705908862e+00 -2.322592449e+00 -2.381824876e+00 2.26 -2.519368405e+00 -3.531066947e+00 -2.989012769e+00 -2.510159876e+00 -2.500951347e+00 -1.869645723e+00 -2.828027276e+00 -2.848784587e+00 -2.330073256e+00 -2.436277538e+00 2.28 -2.681771549e+00 -3.538663650e+00 -3.095030541e+00 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