# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Henriksson-K-O-E-Bjorkas-C-Nordlund-K--Fe-C # implementation = 2013--Henriksson-K-O-E--Fe-C--LAMMPS--ipr1 # composition = CFe3 # 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 1.472359646e+03 nan nan 0.72 1.302141638e+03 nan nan 0.74 1.154057484e+03 nan nan 0.76 1.024535482e+03 1.498901074e+03 nan 0.78 9.108864975e+02 1.336695014e+03 1.518495749e+03 0.80 8.110550104e+02 1.194719246e+03 1.360708442e+03 0.82 7.235218816e+02 1.070676657e+03 1.221775744e+03 0.84 6.466186329e+02 9.608426138e+02 1.098406299e+03 0.86 5.787810689e+02 8.633110543e+02 9.884146146e+02 0.88 5.182332199e+02 7.766682689e+02 8.894951792e+02 0.90 4.642584665e+02 6.993873513e+02 8.007386121e+02 0.92 4.161985382e+02 6.306435711e+02 7.216192203e+02 0.94 3.732407975e+02 5.695663636e+02 6.512561386e+02 0.96 3.348809532e+02 5.149240599e+02 5.880613578e+02 0.98 3.006976808e+02 4.660191891e+02 5.314014416e+02 1.00 2.700747662e+02 4.218901831e+02 4.806285373e+02 1.02 2.423921850e+02 3.817694475e+02 4.350981606e+02 1.04 2.176693203e+02 3.454557226e+02 3.943956506e+02 1.06 1.955686507e+02 3.123821676e+02 3.585208133e+02 1.08 1.755228862e+02 2.821981155e+02 3.265715525e+02 1.10 1.573962194e+02 2.550408622e+02 2.975579100e+02 1.12 1.408359071e+02 2.307904487e+02 2.712717243e+02 1.14 1.257489368e+02 2.090127338e+02 2.470810398e+02 1.16 1.121656602e+02 1.894602158e+02 2.246737425e+02 1.18 1.001107686e+02 1.720075422e+02 2.040390731e+02 1.20 8.967010879e+01 1.563615627e+02 1.851928345e+02 1.22 8.081533372e+01 1.421356725e+02 1.680559862e+02 1.24 7.322101804e+01 1.291395175e+02 1.525970562e+02 1.26 6.633647287e+01 1.171739924e+02 1.389322185e+02 1.28 6.003529526e+01 1.061474908e+02 1.267256729e+02 1.30 5.423684862e+01 9.606358655e+01 1.155527859e+02 1.32 4.890805522e+01 8.681573208e+01 1.053690531e+02 1.34 4.397991516e+01 7.831863228e+01 9.607160350e+01 1.36 3.934673774e+01 7.041867855e+01 8.757436845e+01 1.38 3.500614722e+01 6.311393513e+01 7.984078538e+01 1.40 3.097774299e+01 5.647845528e+01 7.273499731e+01 1.42 2.728680153e+01 5.055528580e+01 6.612338939e+01 1.44 2.394457938e+01 4.537735347e+01 5.994336561e+01 1.46 2.090750065e+01 4.099353470e+01 5.419608074e+01 1.48 1.818558761e+01 3.719159905e+01 4.890371108e+01 1.50 1.577114162e+01 3.368377410e+01 4.402160609e+01 1.52 1.362500092e+01 3.043639564e+01 3.944861331e+01 1.54 1.172417591e+01 2.743267826e+01 3.513866379e+01 1.56 1.006277999e+01 2.461989134e+01 3.113081855e+01 1.58 8.561427908e+00 2.195045601e+01 2.748493664e+01 1.60 7.156909772e+00 1.942608660e+01 2.427124064e+01 1.62 5.829694183e+00 1.705117565e+01 2.154075869e+01 1.64 4.583155638e+00 1.483480181e+01 1.915492645e+01 1.66 3.422086461e+00 1.279248046e+01 1.703545652e+01 1.68 2.353019453e+00 1.094417432e+01 1.517495218e+01 1.70 1.358300620e+00 9.283007789e+00 1.349269441e+01 1.72 4.377574594e-01 7.817539720e+00 1.192462616e+01 1.74 -3.876460632e-01 6.564329695e+00 1.042507651e+01 1.76 -1.089685564e+00 5.508748032e+00 8.993005208e+00 1.78 -1.641906353e+00 4.558442253e+00 7.627932991e+00 1.80 -2.046267108e+00 3.692090536e+00 6.329897896e+00 1.82 -2.388724936e+00 2.894776309e+00 5.100922625e+00 1.84 -2.690402604e+00 2.136996908e+00 3.946895406e+00 1.86 -2.954796856e+00 1.416619080e+00 2.879237125e+00 1.88 -3.185126589e+00 7.330098617e-01 1.915190746e+00 1.90 -3.384355172e+00 8.540113762e-02 1.075291648e+00 1.92 -3.555210832e+00 -5.263594886e-01 3.773635216e-01 1.94 -3.700205299e+00 -1.100793829e+00 -1.763924111e-01 1.96 -3.821650888e+00 -1.633731008e+00 -6.551548125e-01 1.98 -3.921676147e+00 -2.117638991e+00 -1.088000365e+00 2.00 -4.002240226e+00 -2.542000243e+00 -1.478412539e+00 2.02 -4.065146060e+00 -2.895322130e+00 -1.829622387e+00 2.04 -4.112052497e+00 -3.168727662e+00 -2.144627518e+00 2.06 -4.144485447e+00 -3.365602048e+00 -2.426209500e+00 2.08 -4.163848146e+00 -3.528066617e+00 -2.676949832e+00 2.10 -4.171430609e+00 -3.666830298e+00 -2.900849293e+00 2.12 -4.168418339e+00 -3.782755234e+00 -3.104089741e+00 2.14 -4.155900358e+00 -3.877668468e+00 -3.287909272e+00 2.16 -4.131189964e+00 -3.953436154e+00 -3.453435008e+00 2.18 -4.083767735e+00 -4.011957665e+00 -3.601899284e+00 2.20 -4.014629750e+00 -4.055146375e+00 -3.734495159e+00 2.22 -3.925807291e+00 -4.084896841e+00 -3.852204050e+00 2.24 -3.819497783e+00 -4.103039818e+00 -3.955625493e+00 2.26 -3.698106985e+00 -4.111288676e+00 -4.044850683e+00 2.28 -3.564279260e+00 -4.111183246e+00 -4.119428790e+00 2.30 -3.420915743e+00 -4.104039360e+00 -4.178469691e+00 2.32 -3.271180656e+00 -4.090913738e+00 -4.220900068e+00 2.34 -3.118495065e+00 -4.072593402e+00 -4.245840548e+00 2.36 -2.966514176e+00 -4.049615476e+00 -4.253013339e+00 2.38 -2.819078426e+00 -4.022317077e+00 -4.244831941e+00 2.40 -2.680120372e+00 -3.990907016e+00 -4.228305199e+00 2.42 -2.550516157e+00 -3.949456545e+00 -4.198615601e+00 2.44 -2.420000178e+00 -3.892552861e+00 -4.150112459e+00 2.46 -2.290224580e+00 -3.821254732e+00 -4.084255443e+00 2.48 -2.164226798e+00 -3.737087715e+00 -4.002579440e+00 2.50 -2.044329515e+00 -3.641674464e+00 -3.906723406e+00 2.52 -1.925788051e+00 -3.536729479e+00 -3.798453855e+00 2.54 -1.796969019e+00 -3.424064995e+00 -3.679682188e+00 2.56 -1.660597198e+00 -3.305351469e+00 -3.552475631e+00 2.58 -1.520383847e+00 -3.177603880e+00 -3.419061920e+00 2.60 -1.380508327e+00 -3.040720543e+00 -3.281827719e+00 2.62 -1.245553649e+00 -2.896835751e+00 -3.143309963e+00 2.64 -1.120360937e+00 -2.748453467e+00 -3.006177585e+00 2.66 -1.009771247e+00 -2.598423886e+00 -2.873198249e+00 2.68 -9.182370968e-01 -2.449887495e+00 -2.747181227e+00 2.70 -8.493251305e-01 -2.306180394e+00 -2.630884592e+00 2.72 -8.051934978e-01 -2.170696644e+00 -2.526875263e+00 2.74 -7.860246107e-01 -2.046708348e+00 -2.437338005e+00 2.76 -7.733353852e-01 -1.937152208e+00 -2.363847172e+00 2.78 -7.605004283e-01 -1.844401649e+00 -2.307140688e+00 2.80 -7.475517594e-01 -1.770053876e+00 -2.266958454e+00 2.82 -7.345188996e-01 -1.708405445e+00 -2.234279783e+00 2.84 -7.214290350e-01 -1.653730938e+00 -2.200859961e+00 2.86 -7.083071719e-01 -1.606649195e+00 -2.166811729e+00 2.88 -6.951762801e-01 -1.567427841e+00 -2.132239430e+00 2.90 -6.820574289e-01 -1.535994075e+00 -2.097239557e+00 2.92 -6.689699135e-01 -1.508967558e+00 -2.061901259e+00 2.94 -6.559313737e-01 -1.481613901e+00 -2.026306815e+00 2.96 -6.420528090e-01 -1.452475302e+00 -1.988315427e+00 2.98 -6.221016475e-01 -1.411319526e+00 -1.935009660e+00 3.00 -5.957166397e-01 -1.357245436e+00 -1.865107737e+00 3.02 -5.635694942e-01 -1.291286788e+00 -1.779717947e+00 3.04 -5.264293403e-01 -1.214624787e+00 -1.680108077e+00 3.06 -4.851495765e-01 -1.128592945e+00 -1.567726772e+00 3.08 -4.406538574e-01 -1.034682518e+00 -1.444227020e+00 3.10 -3.939207903e-01 -9.345470573e-01 -1.311490645e+00 3.12 -3.459669383e-01 -8.300042793e-01 -1.171652215e+00 3.14 -2.978278058e-01 -7.230329788e-01 -1.027119914e+00 3.16 -2.505366152e-01 -6.157620476e-01 -8.805892788e-01 3.18 -2.051008904e-01 -5.104479332e-01 -7.350434976e-01 3.20 -1.624771367e-01 -4.094363071e-01 -5.937311970e-01 3.22 -1.235442492e-01 -3.151036792e-01 -4.601100581e-01 3.24 -8.907665949e-02 -2.297757175e-01 -3.377435042e-01 3.26 -5.971859936e-02 -1.556216929e-01 -2.301400986e-01 3.28 -3.596116496e-02 -9.452912214e-02 -1.405335085e-01 3.30 -1.812401161e-02 -4.796902467e-02 -7.161606742e-02 3.32 -6.343449199e-03 -1.686890120e-02 -2.525915204e-02 3.34 -5.683833475e-04 -1.515116418e-03 -2.272133413e-03 3.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 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