# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = CoFe3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 -6.955939862e+02 nan nan 0.96 -6.504537919e+02 nan nan 0.98 -6.100848686e+02 nan nan 1.00 -5.731926717e+02 nan nan 1.02 -5.389495548e+02 nan nan 1.04 -5.071514904e+02 -6.678618357e+02 nan 1.06 -4.773346522e+02 -6.300143858e+02 -6.874548161e+02 1.08 -4.486735184e+02 -5.950953172e+02 -6.482606918e+02 1.10 -4.213607634e+02 -5.623908447e+02 -6.122568388e+02 1.12 -3.956338997e+02 -5.317295258e+02 -5.786556850e+02 1.14 -3.717801665e+02 -5.028876095e+02 -5.468440695e+02 1.16 -3.491898541e+02 -4.753105897e+02 -5.165501457e+02 1.18 -3.281589552e+02 -4.486343881e+02 -4.878713518e+02 1.20 -3.089304190e+02 -4.223227826e+02 -4.609290538e+02 1.22 -2.913831750e+02 -3.965830445e+02 -4.356846835e+02 1.24 -2.748147381e+02 -3.724861379e+02 -4.122081698e+02 1.26 -2.588321928e+02 -3.508507112e+02 -3.904005177e+02 1.28 -2.430340305e+02 -3.313236999e+02 -3.701592909e+02 1.30 -2.273788274e+02 -3.137142557e+02 -3.512507480e+02 1.32 -2.122704648e+02 -2.977711828e+02 -3.333656828e+02 1.34 -1.979539432e+02 -2.833326376e+02 -3.164694561e+02 1.36 -1.843169570e+02 -2.698033548e+02 -3.002452647e+02 1.38 -1.716268183e+02 -2.567108954e+02 -2.845519710e+02 1.40 -1.598719160e+02 -2.435786015e+02 -2.694875363e+02 1.42 -1.488780686e+02 -2.305906204e+02 -2.551024077e+02 1.44 -1.382734812e+02 -2.179088744e+02 -2.413894301e+02 1.46 -1.279882526e+02 -2.054236040e+02 -2.279815739e+02 1.48 -1.181775510e+02 -1.931320016e+02 -2.148378271e+02 1.50 -1.090535216e+02 -1.808776698e+02 -2.021779920e+02 1.52 -1.006158999e+02 -1.686239865e+02 -1.903493327e+02 1.54 -9.250469894e+01 -1.564693464e+02 -1.794962860e+02 1.56 -8.471945386e+01 -1.446452062e+02 -1.693136735e+02 1.58 -7.719297841e+01 -1.334777914e+02 -1.596214538e+02 1.60 -7.002177477e+01 -1.232901964e+02 -1.501931727e+02 1.62 -6.324963095e+01 -1.141712816e+02 -1.409052088e+02 1.64 -5.668929232e+01 -1.058983096e+02 -1.317099813e+02 1.66 -5.032310591e+01 -9.814316333e+01 -1.226474702e+02 1.68 -4.391437575e+01 -9.083912830e+01 -1.135567789e+02 1.70 -3.748797833e+01 -8.382283555e+01 -1.046793611e+02 1.72 -3.110138565e+01 -7.698947986e+01 -9.599488113e+01 1.74 -2.487200190e+01 -7.020580153e+01 -8.752979227e+01 1.76 -1.898924884e+01 -6.344369756e+01 -7.941863639e+01 1.78 -1.381556585e+01 -5.680061327e+01 -7.169724781e+01 1.80 -1.002423028e+01 -5.035365973e+01 -6.443652398e+01 1.82 -7.353794485e+00 -4.420501546e+01 -5.767982913e+01 1.84 -5.526654015e+00 -3.838043993e+01 -5.153376408e+01 1.86 -4.302093099e+00 -3.287360960e+01 -4.591546035e+01 1.88 -3.512087689e+00 -2.762745312e+01 -4.068874220e+01 1.90 -3.042341074e+00 -2.262976940e+01 -3.568675221e+01 1.92 -2.805271079e+00 -1.791677385e+01 -3.087633112e+01 1.94 -2.728518217e+00 -1.377606578e+01 -2.620064519e+01 1.96 -2.759375183e+00 -1.049271321e+01 -2.163368618e+01 1.98 -2.846514326e+00 -7.971751450e+00 -1.717682357e+01 2.00 -2.963981061e+00 -6.080383686e+00 -1.323404734e+01 2.02 -3.094994152e+00 -4.684066706e+00 -9.948344687e+00 2.04 -3.226612825e+00 -3.706559868e+00 -7.347619800e+00 2.06 -3.354501960e+00 -3.071510321e+00 -5.539513674e+00 2.08 -3.476549808e+00 -2.713178769e+00 -4.388351716e+00 2.10 -3.589442592e+00 -2.564468402e+00 -3.699745594e+00 2.12 -3.690827461e+00 -2.560874223e+00 -3.313940254e+00 2.14 -3.786683952e+00 -2.651536295e+00 -3.120245266e+00 2.16 -3.866181953e+00 -2.794568586e+00 -3.053718960e+00 2.18 -3.933050704e+00 -2.961943135e+00 -3.072869592e+00 2.20 -3.997060891e+00 -3.134876480e+00 -3.147642476e+00 2.22 -4.048091089e+00 -3.302041844e+00 -3.252732662e+00 2.24 -4.092208031e+00 -3.458943031e+00 -3.369991972e+00 2.26 -4.128113587e+00 -3.604285194e+00 -3.484924568e+00 2.28 -4.153942328e+00 -3.737770354e+00 -3.597731624e+00 2.30 -4.167775599e+00 -3.858379954e+00 -3.691950003e+00 2.32 -4.169013924e+00 -3.964051717e+00 -3.781413173e+00 2.34 -4.158015154e+00 -4.062538999e+00 -3.876937714e+00 2.36 -4.135701499e+00 -4.139302166e+00 -3.980241784e+00 2.38 -4.103149425e+00 -4.198408984e+00 -4.083463557e+00 2.40 -4.061372958e+00 -4.250516526e+00 -4.177683753e+00 2.42 -4.011487306e+00 -4.283991073e+00 -4.255696929e+00 2.44 -3.954582183e+00 -4.305636588e+00 -4.313313847e+00 2.46 -3.891850809e+00 -4.316825649e+00 -4.354210155e+00 2.48 -3.824645394e+00 -4.318402032e+00 -4.377530410e+00 2.50 -3.754234311e+00 -4.310947955e+00 -4.389646427e+00 2.52 -3.681513129e+00 -4.295243388e+00 -4.393875399e+00 2.54 -3.606990533e+00 -4.272034567e+00 -4.391812457e+00 2.56 -3.533944038e+00 -4.242024654e+00 -4.384081939e+00 2.58 -3.460858115e+00 -4.205693449e+00 -4.370871612e+00 2.60 -3.390736322e+00 -4.164509186e+00 -4.352056092e+00 2.62 -3.325861518e+00 -4.116748509e+00 -4.327200970e+00 2.64 -3.267977379e+00 -4.063597741e+00 -4.295689408e+00 2.66 -3.219360458e+00 -4.005854159e+00 -4.256897879e+00 2.68 -3.181976754e+00 -3.944240447e+00 -4.210365848e+00 2.70 -3.163436593e+00 -3.879514096e+00 -4.165821171e+00 2.72 -3.157885711e+00 -3.812570843e+00 -4.109992600e+00 2.74 -3.164232790e+00 -3.744442275e+00 -4.048667791e+00 2.76 -3.155419061e+00 -3.676267389e+00 -3.982461874e+00 2.78 -3.099932391e+00 -3.609225483e+00 -3.912426318e+00 2.80 -2.968096581e+00 -3.544268918e+00 -3.839610694e+00 2.82 -2.733468100e+00 -3.482060778e+00 -3.765031190e+00 2.84 -2.376700592e+00 -3.422894743e+00 -3.689643979e+00 2.86 -1.890416033e+00 -3.366893142e+00 -3.614460627e+00 2.88 -1.287196432e+00 -3.314292971e+00 -3.540593190e+00 2.90 -6.310978020e-01 -3.265594007e+00 -3.469259254e+00 2.92 8.156868144e-03 -3.221368857e+00 -3.401778782e+00 2.94 5.891243917e-01 -3.182520301e+00 -3.339565089e+00 2.96 1.096088049e+00 -3.150080401e+00 -3.284090975e+00 2.98 1.530620576e+00 -3.124026617e+00 -3.236822716e+00 3.00 1.907444845e+00 -3.100727424e+00 -3.201475110e+00 3.02 2.232284104e+00 -3.071930650e+00 -3.180065121e+00 3.04 2.510255594e+00 -3.026308421e+00 -3.170228609e+00 3.06 2.747537516e+00 -2.955381139e+00 -3.172805337e+00 3.08 2.946163775e+00 -2.849469570e+00 -3.171911686e+00 3.10 3.107769580e+00 -2.698877931e+00 -3.146485087e+00 3.12 3.234824820e+00 -2.494231717e+00 -3.080174042e+00 3.14 3.331145765e+00 -2.229415275e+00 -2.963436906e+00 3.16 3.401711180e+00 -1.891004567e+00 -2.793958406e+00 3.18 3.452168269e+00 -1.474521342e+00 -2.575221836e+00 3.20 3.488269737e+00 -9.874479784e-01 -2.313324836e+00 3.22 3.499240258e+00 -4.511423435e-01 -2.013830784e+00 3.24 3.507843045e+00 1.076032712e-01 -1.680754011e+00 3.26 3.509443784e+00 6.605290912e-01 -1.317905412e+00 3.28 3.506204338e+00 1.182197205e+00 -9.354961315e-01 3.30 3.499755819e+00 1.652391275e+00 -5.435319604e-01 3.32 3.491248872e+00 2.058236733e+00 -1.499250345e-01 3.34 3.490459578e+00 2.395132183e+00 2.386254934e-01 3.36 3.485843335e+00 2.665867853e+00 6.164091452e-01 3.38 3.482759392e+00 2.878296349e+00 9.787687146e-01 3.40 3.481416565e+00 3.042525887e+00 1.322097323e+00 3.42 3.481794203e+00 3.168522337e+00 1.643763904e+00 3.44 3.483699555e+00 3.264580058e+00 1.941989046e+00 3.46 3.486895195e+00 3.336878881e+00 2.215712544e+00 3.48 3.490080191e+00 3.389747229e+00 2.470569470e+00 3.50 3.494907136e+00 3.426220286e+00 2.696177686e+00 3.52 3.500481431e+00 3.448615971e+00 2.896713739e+00 3.54 3.506586727e+00 3.458979000e+00 3.072301788e+00 3.56 3.512978399e+00 3.459334908e+00 3.223150262e+00 3.58 3.519394169e+00 3.451751070e+00 3.349489386e+00 3.60 3.525561579e+00 3.438289774e+00 3.451524717e+00 3.62 3.531205757e+00 3.420971979e+00 3.529411006e+00 3.64 3.536054477e+00 3.401756517e+00 3.583257545e+00 3.66 3.539842697e+00 3.382530445e+00 3.613175370e+00 3.68 3.542313126e+00 3.340658088e+00 3.619339455e+00 3.70 3.543222376e+00 3.311153285e+00 3.602140945e+00 3.72 3.542456933e+00 3.280835056e+00 3.562484745e+00 3.74 3.540037536e+00 3.250122838e+00 3.502009988e+00 3.76 3.535986936e+00 3.219327157e+00 3.423283857e+00 3.78 3.530310193e+00 3.188666606e+00 3.329922816e+00 3.80 3.523003047e+00 3.158282118e+00 3.226544013e+00 3.82 3.514051822e+00 3.128252844e+00 3.118481769e+00 3.84 3.503432039e+00 3.098607967e+00 3.011257945e+00 3.86 3.491101733e+00 3.069344719e+00 2.909915514e+00 3.88 3.476979616e+00 3.040487400e+00 2.818488417e+00 3.90 3.460929898e+00 3.012053406e+00 2.739531513e+00 3.92 3.442727597e+00 2.984025266e+00 2.673968810e+00 3.94 3.422101682e+00 2.956433759e+00 2.621356004e+00 3.96 3.398740218e+00 2.929427363e+00 2.580303691e+00 3.98 3.372283789e+00 2.903156261e+00 2.548977279e+00 4.00 3.342316030e+00 2.877757819e+00 2.525522605e+00 4.02 3.308356082e+00 2.853356922e+00 2.508350541e+00 4.04 3.269848152e+00 2.830066483e+00 2.496273928e+00 4.06 3.226161802e+00 2.807987689e+00 2.488528155e+00 4.08 3.176636825e+00 2.787209648e+00 2.484710616e+00 4.10 3.120550955e+00 2.767809488e+00 2.484678566e+00 4.12 3.057095789e+00 2.749851219e+00 2.488422504e+00 4.14 2.985381876e+00 2.733367405e+00 2.495952173e+00 4.16 2.904450182e+00 2.718345633e+00 2.507252777e+00 4.18 2.813294640e+00 2.704755624e+00 2.522283991e+00 4.20 2.710904020e+00 2.692551415e+00 2.540982298e+00 4.22 2.596325910e+00 2.681674560e+00 2.563270289e+00 4.24 2.468752886e+00 2.672047326e+00 2.589049593e+00 4.26 2.327656727e+00 2.663569514e+00 2.591840654e+00 4.28 2.173150741e+00 2.656115231e+00 2.613194029e+00 4.30 2.006157561e+00 2.649529890e+00 2.635093646e+00 4.32 1.828459091e+00 2.643626452e+00 2.657197265e+00 4.34 1.642832023e+00 2.638181498e+00 2.679177105e+00 4.36 1.453095996e+00 2.632931724e+00 2.700722069e+00 4.38 1.264008155e+00 2.627569534e+00 2.721536817e+00 4.40 1.080974973e+00 2.621740272e+00 2.741342957e+00 4.42 9.095754690e-01 2.615040065e+00 2.759878674e+00 4.44 7.549602312e-01 2.607016117e+00 2.776897527e+00 4.46 6.212429449e-01 2.597171016e+00 2.792168072e+00 4.48 5.110255100e-01 2.584969609e+00 2.805470300e+00 4.50 4.251773999e-01 2.569856878e+00 2.816596052e+00 4.52 3.629157316e-01 2.551273071e+00 2.825343209e+00 4.54 3.221811658e-01 2.528698736e+00 2.831568208e+00 4.56 3.001602017e-01 2.501866156e+00 2.835341926e+00 4.58 2.937156245e-01 2.470723329e+00 2.836777931e+00 4.60 2.997963320e-01 2.435445405e+00 2.835979693e+00 4.62 3.157271751e-01 2.396469496e+00 2.833039285e+00 4.64 3.393590071e-01 2.354500972e+00 2.828037661e+00 4.66 3.690939896e-01 2.310482366e+00 2.821044928e+00 4.68 4.036479999e-01 2.265518459e+00 2.812120817e+00 4.70 4.418575167e-01 2.220759700e+00 2.801312937e+00 4.72 4.827955801e-01 2.177266902e+00 2.788657995e+00 4.74 5.256528519e-01 2.135881057e+00 2.774181709e+00 4.76 5.696182734e-01 2.097124126e+00 2.757895471e+00 4.78 6.138066664e-01 2.061136458e+00 2.739766720e+00 4.80 6.572864592e-01 2.027699402e+00 2.719716636e+00 4.82 6.991600440e-01 1.996332652e+00 2.697652326e+00 4.84 7.386454955e-01 1.966374373e+00 2.673466811e+00 4.86 7.751623493e-01 1.937076554e+00 2.647039078e+00 4.88 8.084016156e-01 1.907691646e+00 2.618231889e+00 4.90 8.021634486e-01 1.877539257e+00 2.586893545e+00 4.92 8.141113894e-01 1.846042664e+00 2.552855256e+00 4.94 8.200339797e-01 1.812747328e+00 2.515931566e+00 4.96 8.203664959e-01 1.777319552e+00 2.475919565e+00 4.98 8.156999716e-01 1.739535827e+00 2.432600281e+00 5.00 8.066869787e-01 1.699260862e+00 2.385737453e+00 5.02 7.939704538e-01 1.656422530e+00 2.335079450e+00 5.04 7.781244437e-01 1.610986899e+00 2.280363049e+00 5.06 7.596119229e-01 1.562928620e+00 2.221315159e+00 5.08 7.387656112e-01 1.512221653e+00 2.157659071e+00 5.10 7.157881539e-01 1.458842744e+00 2.089124133e+00 5.12 6.907630378e-01 1.402773645e+00 2.015454986e+00 5.14 6.636772921e-01 1.344009183e+00 1.936427599e+00 5.16 6.344491185e-01 1.282565837e+00 1.851868445e+00 5.18 6.029606887e-01 1.218494762e+00 1.761679365e+00 5.20 5.690924971e-01 1.142034879e+00 1.665866677e+00 5.22 5.327701282e-01 1.069396577e+00 1.564577939e+00 5.24 4.940347141e-01 9.939131998e-01 1.458147089e+00 5.26 4.530180740e-01 9.159333509e-01 1.347127957e+00 5.28 4.099288980e-01 8.359661064e-01 1.232326187e+00 5.30 3.650547151e-01 7.546965371e-01 1.114821230e+00 5.32 3.187578573e-01 6.729933672e-01 9.959755984e-01 5.34 2.714621630e-01 5.918962541e-01 8.774136226e-01 5.36 2.236295868e-01 5.125827917e-01 7.609693172e-01 5.38 2.061710212e-01 4.363144317e-01 6.486027950e-01 5.40 1.696159320e-01 3.643547722e-01 5.422756832e-01 5.42 1.361895140e-01 2.978799461e-01 4.438149948e-01 5.44 1.063701171e-01 2.378804972e-01 3.547650166e-01 5.46 8.047674441e-02 1.850757798e-01 2.762584484e-01 5.48 5.862857959e-02 1.398553744e-01 2.089282661e-01 5.50 4.078339191e-02 1.022552495e-01 1.528720727e-01 5.52 2.675662124e-02 7.196144012e-02 1.076706429e-01 5.54 1.619413979e-02 4.838201142e-02 7.247605961e-02 5.56 8.633681976e-03 3.073751308e-02 4.609993099e-02 5.58 3.557693713e-03 1.814941331e-02 2.723195745e-02 5.60 4.392899127e-04 9.652515121e-03 1.448139285e-02 5.62 -1.220360400e-03 4.300284899e-03 6.448101462e-03 5.64 -1.866073991e-03 1.238205669e-03 1.853683597e-03 5.66 -1.872800507e-03 -2.614238802e-04 -3.949340337e-04 5.68 -1.537655565e-03 -7.841711981e-04 -1.177805424e-03 5.70 -1.079220100e-03 -7.737922160e-04 -1.161341741e-03 5.72 -6.430459427e-04 -5.428741717e-04 -8.145167565e-04 5.74 -3.098219756e-04 -2.866006223e-04 -4.299445292e-04 5.76 -1.062670419e-04 -1.035630660e-04 -1.553494301e-04 5.78 -1.768755723e-05 -1.783176023e-05 -2.674776895e-05 5.80 -7.473078360e-10 1.927673844e-07 2.891510771e-07 5.82 5.682424420e-06 5.765469588e-06 8.648191217e-06 5.84 6.340378063e-05 6.430268918e-05 9.645239972e-05 5.86 2.370460949e-04 2.404250250e-04 3.606149382e-04 5.88 5.905155153e-04 5.992487013e-04 8.987359048e-04 5.90 1.187729121e-03 1.205350277e-03 1.807491249e-03 5.92 2.092799285e-03 2.124267916e-03 3.184840923e-03 5.94 3.369742177e-03 3.421314086e-03 5.128280708e-03 5.96 5.082796307e-03 5.162224603e-03 7.736028572e-03 5.98 7.296131173e-03 7.411682457e-03 1.110535739e-02 6.00 4.028561909e-03 5.222404784e-03 6.937762358e-03