# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn # implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1 # composition = Mn # 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 2024-01-04 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 1.355105625e+03 nan 0.72 nan nan nan nan nan nan nan nan 1.225162069e+03 nan 0.74 nan nan nan nan nan nan nan nan 1.109871576e+03 nan 0.76 nan nan nan nan nan 8.540562379e+02 nan nan 1.007028519e+03 nan 0.78 nan nan nan nan nan 7.722260191e+02 nan nan 9.146996716e+02 nan 0.80 nan nan nan nan nan 6.984164462e+02 nan nan 8.314656490e+02 nan 0.82 nan nan nan nan nan 6.319082526e+02 nan nan 7.562876220e+02 nan 0.84 nan nan nan nan nan 5.722487728e+02 nan nan 6.881298615e+02 nan 0.86 nan nan nan 1.380022509e+03 1.380288345e+03 5.187126828e+02 nan nan 6.260089756e+02 9.095123309e+02 0.88 nan 8.247944209e+02 nan 1.270005141e+03 1.269855595e+03 4.703949694e+02 nan nan 5.691615516e+02 8.340758889e+02 0.90 nan 7.556451212e+02 nan 1.169795372e+03 1.169327465e+03 4.266845436e+02 7.753707948e+02 nan 5.171868834e+02 7.651689669e+02 0.92 nan 6.926992105e+02 nan 1.078247299e+03 1.077638938e+03 3.872606947e+02 7.125039576e+02 nan 4.697711463e+02 7.017140551e+02 0.94 nan 6.353348242e+02 nan 9.946836893e+02 9.941362973e+02 3.518232501e+02 6.547213123e+02 nan 4.265670079e+02 6.430915297e+02 0.96 nan 5.830340955e+02 nan 9.184600211e+02 9.181006641e+02 3.200929891e+02 6.012555544e+02 nan 3.871823346e+02 5.890997565e+02 0.98 8.489616161e+02 5.353131175e+02 7.601512461e+02 8.488218987e+02 8.486684236e+02 2.918473696e+02 5.516413692e+02 7.868091225e+02 3.512862233e+02 5.396372149e+02 1.00 7.849750067e+02 4.917011503e+02 7.031998286e+02 7.850318668e+02 7.850480973e+02 2.667584549e+02 5.057084032e+02 7.269896609e+02 3.186378887e+02 4.943890361e+02 1.02 7.263684661e+02 4.517428338e+02 6.508108098e+02 7.265067140e+02 7.266502971e+02 2.443816628e+02 4.632676701e+02 6.722176493e+02 2.890015349e+02 4.528173391e+02 1.04 6.726935802e+02 4.149649600e+02 6.023383819e+02 6.728013438e+02 6.730212510e+02 2.242438075e+02 4.240745928e+02 6.219833714e+02 2.621023029e+02 4.144330737e+02 1.06 6.233992785e+02 3.809202034e+02 5.573706765e+02 6.234561344e+02 6.236851801e+02 2.059596036e+02 3.878918003e+02 5.758116216e+02 2.376880604e+02 3.790055226e+02 1.08 5.779283481e+02 3.493032567e+02 5.156923974e+02 5.780197553e+02 5.782153762e+02 1.893684711e+02 3.544924664e+02 5.332582315e+02 2.155362258e+02 3.463995613e+02 1.10 5.359691010e+02 3.198774396e+02 4.769857539e+02 5.361051834e+02 5.362342125e+02 1.743305027e+02 3.236333956e+02 4.939261762e+02 1.954371700e+02 3.165032787e+02 1.12 4.971750012e+02 2.923658601e+02 4.408864322e+02 4.972972443e+02 4.973372479e+02 1.606876255e+02 2.951227483e+02 4.573514073e+02 1.771932145e+02 2.891335292e+02 1.14 4.611200713e+02 2.665076280e+02 4.071395014e+02 4.611856466e+02 4.611432927e+02 1.482643287e+02 2.688659631e+02 4.231165340e+02 1.606326363e+02 2.640592119e+02 1.16 4.273377592e+02 2.422094353e+02 3.756352104e+02 4.273826639e+02 4.273142898e+02 1.369367434e+02 2.447867069e+02 3.909480528e+02 1.456008797e+02 2.410441439e+02 1.18 3.955108828e+02 2.195173725e+02 3.462554558e+02 3.956014918e+02 3.955889961e+02 1.265759079e+02 2.227505018e+02 3.607591907e+02 1.319472180e+02 2.199067298e+02 1.20 3.655896295e+02 1.984795321e+02 3.188263546e+02 3.657336483e+02 3.658188253e+02 1.170473277e+02 2.025637845e+02 3.325083803e+02 1.195276541e+02 2.005345726e+02 1.22 3.375499556e+02 1.790465672e+02 2.931716226e+02 3.377021971e+02 3.378699002e+02 1.082114507e+02 1.840303895e+02 3.061048135e+02 1.082271672e+02 1.828052858e+02 1.24 3.113365211e+02 1.610886957e+02 2.691073225e+02 3.114349964e+02 3.116306003e+02 9.992515784e+01 1.670098450e+02 2.814272649e+02 9.794312856e+01 1.665835369e+02 1.26 2.868221808e+02 1.444703975e+02 2.465257063e+02 2.868527365e+02 2.870280464e+02 9.212780383e+01 1.514079005e+02 2.583435781e+02 8.858082816e+01 1.517193640e+02 1.28 2.638550404e+02 1.291139405e+02 2.253511921e+02 2.638578891e+02 2.639928570e+02 8.479276428e+01 1.371390415e+02 2.367459815e+02 8.004087835e+01 1.380871438e+02 1.30 2.423275534e+02 1.149832426e+02 2.055279017e+02 2.423461164e+02 2.424327046e+02 7.790925506e+01 1.240877027e+02 2.165669468e+02 7.222074278e+01 1.256080201e+02 1.32 2.221750551e+02 1.020429408e+02 1.869936564e+02 2.222246618e+02 2.222579967e+02 7.144271577e+01 1.121268407e+02 1.977667512e+02 6.504538759e+01 1.142112890e+02 1.34 2.033686962e+02 9.023462430e+01 1.696682168e+02 2.034234906e+02 2.033994582e+02 6.534137263e+01 1.011317914e+02 1.803009972e+02 5.845755594e+01 1.038119793e+02 1.36 1.858653968e+02 7.947719874e+01 1.534813873e+02 1.858928672e+02 1.858143888e+02 5.955622976e+01 9.099768554e+01 1.640890001e+02 5.242197839e+01 9.429202883e+01 1.38 1.695996764e+02 6.968587166e+01 1.383976018e+02 1.695727809e+02 1.694532362e+02 5.407041911e+01 8.164692971e+01 1.490189504e+02 4.691170138e+01 8.551800408e+01 1.40 1.544738195e+02 6.078167156e+01 1.244280370e+02 1.543812642e+02 1.542389348e+02 4.890541677e+01 7.303386802e+01 1.349626200e+02 4.188041897e+01 7.738796418e+01 1.42 1.403516852e+02 5.270173603e+01 1.115896441e+02 1.402047511e+02 1.400617037e+02 4.408808742e+01 6.512828074e+01 1.218156714e+02 3.727494922e+01 6.982065301e+01 1.44 1.271125781e+02 4.540674946e+01 9.985203836e+01 1.269410329e+02 1.268159075e+02 3.963181505e+01 5.789888346e+01 1.095082953e+02 3.304626509e+01 6.277566320e+01 1.46 1.146748078e+02 3.887082508e+01 8.914126766e+01 1.145236732e+02 1.144286832e+02 3.552665576e+01 5.130166253e+01 9.802721282e+01 2.917097445e+01 5.625901500e+01 1.48 1.030331134e+02 3.306349118e+01 7.934497993e+01 1.029308621e+02 1.028684032e+02 3.174441457e+01 4.528621719e+01 8.737093496e+01 2.564145448e+01 5.027143293e+01 1.50 9.219095210e+01 2.794433709e+01 7.035662325e+01 9.214656673e+01 9.211524492e+01 2.825267902e+01 3.980899075e+01 7.751977696e+01 2.245251420e+01 4.479195480e+01 1.52 8.213987073e+01 2.346317330e+01 6.210716257e+01 8.215056627e+01 8.215419126e+01 2.502108171e+01 3.482937624e+01 6.844819726e+01 1.959169203e+01 3.976786447e+01 1.54 7.284993364e+01 1.957113581e+01 5.454261296e+01 7.291029170e+01 7.295805247e+01 2.202526545e+01 3.031683776e+01 6.012060496e+01 1.702891778e+01 3.513905557e+01 1.56 6.427754444e+01 1.622298645e+01 4.764389202e+01 6.438652813e+01 6.448585614e+01 1.925783102e+01 2.624729338e+01 5.251084888e+01 1.472957588e+01 3.085334797e+01 1.58 5.640187491e+01 1.336987542e+01 4.139185521e+01 5.655320148e+01 5.669991619e+01 1.671559962e+01 2.259161737e+01 4.559876763e+01 1.265664050e+01 2.688823854e+01 1.60 4.921486352e+01 1.095737938e+01 3.575294657e+01 4.939127179e+01 4.956654604e+01 1.439061365e+01 1.931401704e+01 3.936200411e+01 1.077892855e+01 2.325453884e+01 1.62 4.270995021e+01 8.917772698e+00 3.068330609e+01 4.288282586e+01 4.305563224e+01 1.226767330e+01 1.637619009e+01 3.377145479e+01 9.076152761e+00 1.996757798e+01 1.64 3.687505241e+01 7.176624071e+00 2.614500145e+01 3.701480069e+01 3.715454898e+01 1.033464698e+01 1.375313447e+01 2.878742400e+01 7.530790624e+00 1.703740517e+01 1.66 3.166716713e+01 5.669993541e+00 2.209976550e+01 3.175406803e+01 3.184096893e+01 8.581157848e+00 1.142461884e+01 2.436171738e+01 6.135213027e+00 1.444128234e+01 1.68 2.702833598e+01 4.357998506e+00 1.851196065e+01 2.705605191e+01 2.708376784e+01 7.001356531e+00 9.372184654e+00 2.043936288e+01 4.882845619e+00 1.213729004e+01 1.70 2.289309359e+01 3.215075723e+00 1.535103200e+01 2.286898100e+01 2.284486842e+01 5.594495131e+00 7.578067391e+00 1.696691779e+01 3.763289662e+00 1.008026908e+01 1.72 1.919680832e+01 2.222462645e+00 1.258284259e+01 1.913774190e+01 1.907867549e+01 4.358173213e+00 6.020035560e+00 1.389811049e+01 2.766163825e+00 8.227076000e+00 1.74 1.589890147e+01 1.368656543e+00 1.016412700e+01 1.582195585e+01 1.574501022e+01 3.284809021e+00 4.674730550e+00 1.120318172e+01 1.881908473e+00 6.557894294e+00 1.76 1.297526306e+01 6.445575157e-01 8.060723832e+00 1.289317191e+01 1.281108075e+01 2.364393509e+00 3.516426175e+00 8.859341280e+00 1.104735243e+00 5.066965523e+00 1.78 1.040356019e+01 3.238823349e-02 6.248363145e+00 1.032430662e+01 1.024505305e+01 1.584155697e+00 2.518180275e+00 6.848032653e+00 4.310352610e-01 3.749469920e+00 1.80 8.171276217e+00 -4.876866742e-01 4.700459719e+00 8.096784207e+00 8.022292196e+00 9.281824999e-01 1.658450725e+00 5.149832663e+00 -1.440407296e-01 2.605114689e+00 1.82 6.266632983e+00 -9.267656796e-01 3.393489720e+00 6.194582697e+00 6.122532411e+00 3.817170585e-01 9.184827682e-01 3.738878940e+00 -6.253689826e-01 1.630205405e+00 1.84 4.666977782e+00 -1.293178460e+00 2.308491932e+00 4.595518947e+00 4.524060112e+00 -6.606348414e-02 2.830659041e-01 2.582206319e+00 -1.020232284e+00 8.125215593e-01 1.86 3.342584438e+00 -1.597836887e+00 1.422857213e+00 3.272338525e+00 3.202092613e+00 -4.255126725e-01 -2.561683772e-01 1.643657192e+00 -1.337763635e+00 1.362051042e-01 1.88 2.263213655e+00 -1.848026012e+00 7.136613539e-01 2.197403413e+00 2.131593171e+00 -7.069643225e-01 -7.080396787e-01 8.897347315e-01 -1.587099336e+00 -4.148567321e-01 1.90 1.395458216e+00 -2.050633709e+00 1.600400792e-01 1.340450531e+00 1.285442846e+00 -9.186202902e-01 -1.081265783e+00 2.861374062e-01 -1.777733771e+00 -8.578318427e-01 1.92 6.991478690e-01 -2.212679104e+00 -2.621410116e-01 6.635189520e-01 6.278900349e-01 -1.068298272e+00 -1.383299153e+00 -2.017083359e-01 -1.918346192e+00 -1.212032531e+00 1.94 1.407318674e-01 -2.335887672e+00 -5.837238762e-01 1.304157801e-01 1.200996928e-01 -1.169463356e+00 -1.623266896e+00 -6.039382226e-01 -2.016993491e+00 -1.493320699e+00 1.96 -3.086331603e-01 -2.420988085e+00 -8.334244765e-01 -2.917767305e-01 -2.749203007e-01 -1.236084793e+00 -1.813026068e+00 -9.453841213e-01 -2.082681655e+00 -1.715214636e+00 1.98 -6.777165007e-01 -2.475311208e+00 -1.039903715e+00 -6.359187697e-01 -5.941210388e-01 -1.282124358e+00 -1.964715600e+00 -1.238760845e+00 -2.124940906e+00 -1.891195344e+00 2.00 -9.945668157e-01 -2.507286645e+00 -1.231557363e+00 -9.341591841e-01 -8.737515525e-01 -1.321456730e+00 -2.090997685e+00 -1.489686165e+00 -2.151880463e+00 -2.034502042e+00 2.02 -1.277402899e+00 -2.524737940e+00 -1.426087498e+00 -1.206944636e+00 -1.136486373e+00 -1.363492764e+00 -2.202024446e+00 -1.700651030e+00 -2.169826759e+00 -2.154435046e+00 2.04 -1.525695171e+00 -2.536573183e+00 -1.621161465e+00 -1.452745456e+00 -1.379795741e+00 -1.407711300e+00 -2.301028625e+00 -1.871603963e+00 -2.182095104e+00 -2.251419913e+00 2.06 -1.735484215e+00 -2.551221775e+00 -1.811254201e+00 -1.666243823e+00 -1.597003430e+00 -1.451768266e+00 -2.389513219e+00 -2.004481277e+00 -2.191480837e+00 -2.325020173e+00 2.08 -1.903637320e+00 -2.569419889e+00 -1.990831226e+00 -1.842947022e+00 -1.782256724e+00 -1.493309690e+00 -2.468984793e+00 -2.101452322e+00 -2.199265259e+00 -2.376458928e+00 2.10 -2.027204890e+00 -2.590406807e+00 -2.154595078e+00 -1.978590385e+00 -1.929975879e+00 -1.530095855e+00 -2.541430845e+00 -2.169346855e+00 -2.206026354e+00 -2.407130602e+00 2.12 -2.109459505e+00 -2.613918964e+00 -2.301436583e+00 -2.075446311e+00 -2.041433117e+00 -1.561858470e+00 -2.608075896e+00 -2.220779290e+00 -2.212658493e+00 -2.420503251e+00 2.14 -2.162772717e+00 -2.638887542e+00 -2.431713674e+00 -2.144518612e+00 -2.126264507e+00 -1.587867333e+00 -2.667382145e+00 -2.266628929e+00 -2.218777840e+00 -2.423077398e+00 2.16 -2.200233602e+00 -2.662250978e+00 -2.544660861e+00 -2.197366928e+00 -2.194500254e+00 -1.606203089e+00 -2.717510684e+00 -2.313850511e+00 -2.221749698e+00 -2.421592099e+00 2.18 -2.234776298e+00 -2.683308223e+00 -2.639437813e+00 -2.245395623e+00 -2.256014949e+00 -1.614932881e+00 -2.756630398e+00 -2.368888281e+00 -2.218510344e+00 -2.422484424e+00 2.20 -2.277907927e+00 -2.701859717e+00 -2.714649468e+00 -2.298582607e+00 -2.319257287e+00 -1.612120647e+00 -2.782917889e+00 -2.435181673e+00 -2.206565338e+00 -2.429345649e+00 2.22 -2.337950025e+00 -2.717511597e+00 -2.768611756e+00 -2.364020099e+00 -2.390090172e+00 -1.595826907e+00 -2.794580796e+00 -2.508069115e+00 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