# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Bonny-G-Terentyev-D-Pasianot-R-C-et-al--Fe-Ni-Cr # implementation = 2011--Bonny-G--Fe-Ni-Cr--LAMMPS--ipr1 # composition = Fe # 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 1.844766873e+04 nan 0.74 nan nan nan nan nan nan nan nan 1.665230452e+04 nan 0.76 nan nan nan nan nan nan nan nan 1.505397939e+04 nan 0.78 nan nan nan nan nan 1.170444448e+04 nan nan 1.362795828e+04 nan 0.80 nan nan nan nan nan 1.060829938e+04 nan nan 1.235344422e+04 nan 0.82 nan nan nan nan nan 9.625605371e+03 nan nan 1.121179655e+04 nan 0.84 nan nan nan nan nan 8.739857741e+03 nan nan 1.018590158e+04 nan 0.86 nan nan nan nan nan 7.938376049e+03 nan nan 9.263026023e+03 nan 0.88 nan nan nan 1.890430619e+04 1.890589909e+04 7.215926438e+03 nan nan 8.432956152e+03 1.230112927e+04 0.90 nan 1.110537266e+04 nan 1.736764818e+04 1.736889497e+04 6.568307148e+03 1.140030875e+04 nan 7.684702160e+03 1.125536452e+04 0.92 nan 1.016381202e+04 nan 1.597399730e+04 1.597502810e+04 5.985054175e+03 1.043949507e+04 nan 7.006252030e+03 1.030786950e+04 0.94 nan 9.310137609e+03 nan 1.470818889e+04 1.470829830e+04 5.457380003e+03 9.566243781e+03 nan 6.389622230e+03 9.450855766e+03 0.96 nan 8.533951788e+03 nan 1.355499319e+04 1.355351139e+04 4.979825156e+03 8.774084761e+03 nan 5.828892387e+03 8.673862168e+03 0.98 nan 7.827330269e+03 nan 1.250212789e+04 1.250003007e+04 4.545643784e+03 8.055468201e+03 1.157168845e+04 5.319999510e+03 7.964413325e+03 1.00 1.154415588e+04 7.184925401e+03 1.030483793e+04 1.154106364e+04 1.153934127e+04 4.149175163e+03 7.400046009e+03 1.067175645e+04 4.856932243e+03 7.313492733e+03 1.02 1.066501580e+04 6.596994302e+03 9.506958030e+03 1.066273532e+04 1.066185213e+04 3.786767597e+03 6.799432702e+03 9.847727945e+03 4.434248098e+03 6.716312061e+03 1.04 9.855629695e+03 6.057114375e+03 8.776736485e+03 9.856802066e+03 9.857172814e+03 3.455783120e+03 6.248946015e+03 9.091779312e+03 4.048529246e+03 6.171754256e+03 1.06 9.110800061e+03 5.563836412e+03 8.105973629e+03 9.115965546e+03 9.117499598e+03 3.154115385e+03 5.744226975e+03 8.399067690e+03 3.695788181e+03 5.675092069e+03 1.08 8.429925041e+03 5.113117464e+03 7.487824385e+03 8.435284830e+03 8.437361686e+03 2.878818622e+03 5.280734040e+03 7.764942895e+03 3.372766688e+03 5.220646117e+03 1.10 7.806247818e+03 4.698269044e+03 6.916555410e+03 7.809020718e+03 7.811010128e+03 2.625754389e+03 4.855049495e+03 7.182546651e+03 3.077139752e+03 4.803426469e+03 1.12 7.232077101e+03 4.315490014e+03 6.391630269e+03 7.232263803e+03 7.233749670e+03 2.393179838e+03 4.465088046e+03 6.645865961e+03 2.806304867e+03 4.418970984e+03 1.14 6.702133145e+03 3.963420906e+03 5.912215291e+03 6.700982599e+03 6.702032734e+03 2.180703558e+03 4.107843926e+03 6.150953792e+03 2.558366317e+03 4.064047894e+03 1.16 6.212238707e+03 3.640711243e+03 5.471939920e+03 6.210691570e+03 6.211372296e+03 1.986154720e+03 3.778438782e+03 5.694307421e+03 2.330789735e+03 3.736709786e+03 1.18 5.759215612e+03 3.343919994e+03 5.065202518e+03 5.757199822e+03 5.757172695e+03 1.807414027e+03 3.473403540e+03 5.271787503e+03 2.121261627e+03 3.435196282e+03 1.20 5.339266228e+03 3.069175782e+03 4.688802750e+03 5.337186440e+03 5.336119623e+03 1.643074830e+03 3.190986437e+03 4.880018314e+03 1.928850969e+03 3.156637651e+03 1.22 4.949931494e+03 2.814006194e+03 4.339353931e+03 4.948292280e+03 4.946223321e+03 1.491148128e+03 2.929759715e+03 4.517208948e+03 1.752353370e+03 2.899430550e+03 1.24 4.588914816e+03 2.577333993e+03 4.013875719e+03 4.588138849e+03 4.585844397e+03 1.349930406e+03 2.688226445e+03 4.181300825e+03 1.589857113e+03 2.662057409e+03 1.26 4.253246094e+03 2.358895164e+03 3.710538800e+03 4.253957153e+03 4.252439389e+03 1.218502697e+03 2.465083512e+03 3.869822904e+03 1.439576335e+03 2.442159199e+03 1.28 3.941841072e+03 2.157621292e+03 3.428931383e+03 3.943555459e+03 3.943034552e+03 1.096672605e+03 2.258617632e+03 3.581186704e+03 1.300390082e+03 2.238977053e+03 1.30 3.654039590e+03 1.971469833e+03 3.168426891e+03 3.655306077e+03 3.655427689e+03 9.841142684e+02 2.067387845e+03 3.313776216e+03 1.171621253e+03 2.052183938e+03 1.32 3.387072393e+03 1.798431649e+03 2.926494502e+03 3.387255585e+03 3.387803400e+03 8.795837371e+02 1.890483663e+03 3.065018311e+03 1.052521530e+03 1.879704852e+03 1.34 3.138105633e+03 1.637176093e+03 2.700938579e+03 3.137768722e+03 3.138710583e+03 7.822368197e+02 1.727127822e+03 2.832626033e+03 9.422648683e+02 1.719550188e+03 1.36 2.905533795e+03 1.487090880e+03 2.491260712e+03 2.905320223e+03 2.906560947e+03 6.924256628e+02 1.576337677e+03 2.615146525e+03 8.398830314e+02 1.570994242e+03 1.38 2.687988440e+03 1.347659984e+03 2.296850245e+03 2.688067589e+03 2.689457666e+03 6.102105905e+02 1.436663749e+03 2.411611679e+03 7.444265294e+02 1.433417353e+03 1.40 2.483876229e+03 1.218332004e+03 2.115882509e+03 2.484392348e+03 2.485876917e+03 5.344251000e+02 1.306776661e+03 2.221544800e+03 6.552836766e+02 1.305631596e+03 1.42 2.292061926e+03 1.098979962e+03 1.946498367e+03 2.293371225e+03 2.294939527e+03 4.638721349e+02 1.185843635e+03 2.044777789e+03 5.723167445e+02 1.186482379e+03 1.44 2.112724699e+03 9.892902416e+02 1.787457785e+03 2.114845170e+03 2.116330967e+03 3.979219173e+02 1.073129826e+03 1.881020692e+03 4.956083525e+02 1.075166878e+03 1.46 1.946838385e+03 8.881255048e+02 1.638003749e+03 1.948960005e+03 1.949998748e+03 3.361522183e+02 9.678773189e+02 1.729388661e+03 4.248875835e+02 9.710524271e+02 1.48 1.793831797e+03 7.941909717e+02 1.498027485e+03 1.795038443e+03 1.795400934e+03 2.781953080e+02 8.695497538e+02 1.588313769e+03 3.594864742e+02 8.735268430e+02 1.50 1.651542623e+03 7.066491261e+02 1.367854641e+03 1.651639106e+03 1.651458197e+03 2.238557668e+02 7.779032326e+02 1.456354232e+03 2.987710675e+02 7.819908754e+02 1.52 1.518229458e+03 6.249756722e+02 1.247470305e+03 1.517552673e+03 1.517050674e+03 1.744914516e+02 6.927566923e+02 1.332736604e+03 2.421682192e+02 6.959202774e+02 1.54 1.393112021e+03 5.487104944e+02 1.136312765e+03 1.392048003e+03 1.391282186e+03 1.359162893e+02 6.136762559e+02 1.217098178e+03 1.891895826e+02 6.150655581e+02 1.56 1.275832450e+03 4.774075943e+02 1.033272455e+03 1.274553069e+03 1.273460522e+03 1.063164584e+02 5.399788948e+02 1.108974714e+03 1.442348701e+02 5.396608857e+02 1.58 1.166079249e+03 4.106354800e+02 9.371391259e+02 1.164552014e+03 1.163084772e+03 8.336004790e+01 4.710325621e+02 1.007675753e+03 1.100117503e+02 4.700033776e+02 1.60 1.063307339e+03 3.480068663e+02 8.470701186e+02 1.061545518e+03 1.059792371e+03 6.542819301e+01 4.063694945e+02 9.125919757e+02 8.402469853e+01 4.056490554e+02 1.62 9.668078260e+02 2.892480376e+02 7.625957432e+02 9.650493838e+02 9.632911386e+02 5.138580026e+01 3.456230021e+02 8.233837995e+02 6.423549708e+01 3.456350638e+02 1.64 8.759473667e+02 2.342468273e+02 6.834112692e+02 8.745246152e+02 8.731018637e+02 4.038626377e+01 2.885188828e+02 7.398085975e+02 4.909491532e+01 2.891880220e+02 1.66 7.902536486e+02 1.829986771e+02 6.093156054e+02 7.894009306e+02 7.885482126e+02 3.177380622e+01 2.349135799e+02 6.614670098e+02 3.746632032e+01 2.358961545e+02 1.68 7.094514790e+02 1.389924181e+02 5.400820199e+02 7.092648952e+02 7.090783114e+02 2.501475534e+01 1.847066031e+02 5.879482195e+02 2.849523703e+01 1.855998447e+02 1.70 6.335961385e+02 1.055220987e+02 4.753357274e+02 6.340333746e+02 6.344706107e+02 1.967412540e+01 1.413950801e+02 5.191172983e+02 2.154972329e+01 1.425460498e+02 1.72 5.629717870e+02 8.002527193e+01 4.146457903e+02 5.638398364e+02 5.647078858e+02 1.542087992e+01 1.078502170e+02 4.550029175e+02 1.616711598e+01 1.096423585e+02 1.74 4.975375578e+02 6.050955292e+01 3.576499227e+02 4.985822367e+02 4.996269157e+02 1.201315991e+01 8.195404210e+01 3.953751066e+02 1.199282890e+01 8.458274339e+01 1.76 4.366936613e+02 4.549765472e+01 3.040715714e+02 4.377433985e+02 4.387931357e+02 9.271638197e+00 6.208396690e+01 3.396959839e+02 8.743772172e+00 6.530215841e+01 1.78 3.797263858e+02 3.391145181e+01 2.536718476e+02 3.807239898e+02 3.817215938e+02 7.057819888e+00 4.688422904e+01 2.874339225e+02 6.201088541e+00 5.027864119e+01 1.80 3.261527261e+02 2.495339511e+01 2.062211412e+02 3.271012144e+02 3.280497027e+02 5.264479812e+00 3.524532676e+01 2.382319391e+02 4.204443051e+00 3.850141743e+01 1.82 2.756895992e+02 1.802807204e+01 1.619354889e+02 2.766055693e+02 2.775215393e+02 3.810131963e+00 2.633299397e+01 1.918771687e+02 2.635337202e+00 2.926741881e+01 1.84 2.281014012e+02 1.268378932e+01 1.255225385e+02 2.290045435e+02 2.299076859e+02 2.631446945e+00 1.951787703e+01 1.497859240e+02 1.403095158e+00 2.203862250e+01 1.86 1.831808000e+02 8.573264868e+00 9.679739039e+01 1.840874166e+02 1.849940333e+02 1.678893456e+00 1.429319031e+01 1.163652026e+02 4.369473886e-01 1.639369493e+01 1.88 1.432195809e+02 5.427266047e+00 7.418418006e+01 1.439934966e+02 1.447674123e+02 9.136652055e-01 1.026147615e+01 9.023298781e+01 -3.188757927e-01 1.200173542e+01 1.90 1.116236387e+02 3.033860630e+00 5.645626727e+01 1.122154831e+02 1.128073275e+02 3.052692590e-01 7.133502303e+00 6.980056636e+01 -9.081263352e-01 8.599500462e+00 1.92 8.685744231e+01 1.223021604e+00 4.263474280e+01 8.723194665e+01 8.760645099e+01 -1.709479155e-01 4.703538496e+00 5.379702583e+01 -1.364796761e+00 5.971621296e+00 1.94 6.749465228e+01 -1.419017286e-01 3.190801664e+01 6.763580198e+01 6.777695167e+01 -5.370239144e-01 2.818261978e+00 4.123173318e+01 -1.717306235e+00 3.939041536e+00 1.96 5.230561349e+01 -1.165577969e+00 2.361440223e+01 5.224366980e+01 5.218172611e+01 -8.157885874e-01 1.357976326e+00 3.133382156e+01 -1.991160283e+00 2.357725508e+00 1.98 4.031744818e+01 -1.924291435e+00 1.724141969e+01 4.012410880e+01 3.993076942e+01 -1.034740345e+00 2.249426979e-01 2.351910574e+01 -2.208983925e+00 1.116630486e+00 2.00 3.080837338e+01 -2.474561309e+00 1.237985849e+01 3.056974937e+01 3.033112536e+01 -1.224645589e+00 -6.616878148e-01 1.734140373e+01 -2.389244403e+00 1.311885415e-01 2.02 2.324376579e+01 -2.865242268e+00 8.670757347e+00 2.302730835e+01 2.281085092e+01 -1.409353281e+00 -1.364943138e+00 1.245740100e+01 -2.544480953e+00 -6.618815484e-01 2.04 1.722568236e+01 -3.140454199e+00 5.813580235e+00 1.706283171e+01 1.689998106e+01 -1.593446012e+00 -1.926227554e+00 8.604550746e+00 -2.678902814e+00 -1.303872500e+00 2.06 1.244327373e+01 -3.338238848e+00 3.583684509e+00 1.233658707e+01 1.222990041e+01 -1.771321333e+00 -2.374481781e+00 5.578545726e+00 -2.793897853e+00 -1.824412344e+00 2.08 8.650705749e+00 -3.484019642e+00 1.827698664e+00 8.589879077e+00 8.529052404e+00 -1.937796430e+00 -2.732042263e+00 3.218892874e+00 -2.890813800e+00 -2.245904281e+00 2.10 5.654287875e+00 -3.591476844e+00 4.395498404e-01 5.626713153e+00 5.599138431e+00 -2.091675564e+00 -3.016562136e+00 1.397297998e+00 -2.972398539e+00 -2.585120539e+00 2.12 3.302141991e+00 -3.670224110e+00 -6.572353925e-01 3.296457308e+00 3.290772625e+00 -2.232860614e+00 -3.241423518e+00 7.833780933e-03 -3.042242075e+00 -2.854572990e+00 2.14 1.475304206e+00 -3.729591596e+00 -1.521454095e+00 1.481423938e+00 1.487543671e+00 -2.360822176e+00 -3.417091242e+00 -1.040227313e+00 -3.103658830e+00 -3.063912406e+00 2.16 7.801123920e-02 -3.776733504e+00 -2.199435072e+00 8.698465333e-02 9.595806746e-02 -2.474861239e+00 -3.552221306e+00 -1.825116728e+00 -3.158067197e+00 -3.221873669e+00 2.18 -9.734212469e-01 -3.814134128e+00 -2.727567038e+00 -9.686763020e-01 -9.639313572e-01 -2.574115014e+00 -3.653797194e+00 -2.413334575e+00 -3.204591144e+00 -3.338480430e+00 2.20 -1.758019521e+00 -3.842636622e+00 -3.133993128e+00 -1.761463180e+00 -1.764906839e+00 -2.657545374e+00 -3.727441893e+00 -2.859952594e+00 -3.241557018e+00 -3.425328791e+00 2.22 -2.350116986e+00 -3.864115861e+00 -3.440402207e+00 -2.361770875e+00 -2.373424764e+00 -2.723943777e+00 -3.777756791e+00 -3.204965721e+00 -3.267842424e+00 -3.493621596e+00 2.24 -2.808561116e+00 -3.880731422e+00 -3.663594378e+00 -2.825449945e+00 -2.842338774e+00 -2.772019888e+00 -3.808634902e+00 -3.472320042e+00 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