# 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 = Mn3Ni # 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 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 6.739956280e+02 nan nan 0.90 6.172806518e+02 nan nan 0.92 5.657400635e+02 nan nan 0.94 5.189170481e+02 nan nan 0.96 4.764083817e+02 nan nan 0.98 4.377093896e+02 6.213065312e+02 6.949980951e+02 1.00 4.023620335e+02 5.747934430e+02 6.421306349e+02 1.02 3.699143189e+02 5.317856318e+02 5.937018299e+02 1.04 3.399386712e+02 4.919839354e+02 5.494387186e+02 1.06 3.120988736e+02 4.552226036e+02 5.090061738e+02 1.08 2.860793887e+02 4.213678947e+02 4.719520244e+02 1.10 2.616224083e+02 3.900552654e+02 4.378034103e+02 1.12 2.385752712e+02 3.608649202e+02 4.060696261e+02 1.14 2.169015602e+02 3.334381679e+02 3.763651114e+02 1.16 1.967113944e+02 3.075836142e+02 3.484481949e+02 1.18 1.781394260e+02 2.832335201e+02 3.222328892e+02 1.20 1.612021418e+02 2.603667900e+02 2.978061372e+02 1.22 1.457113494e+02 2.389912013e+02 2.751849318e+02 1.24 1.314315229e+02 2.190858533e+02 2.542076209e+02 1.26 1.181411629e+02 2.006063827e+02 2.346483432e+02 1.28 1.057001388e+02 1.834732383e+02 2.162720040e+02 1.30 9.409196906e+01 1.675538769e+02 1.988851713e+02 1.32 8.335130646e+01 1.526992155e+02 1.824147615e+02 1.34 7.349859549e+01 1.387805846e+02 1.668699508e+02 1.36 6.453102911e+01 1.257140353e+02 1.522803707e+02 1.38 5.643213879e+01 1.134796670e+02 1.386652996e+02 1.40 4.917725428e+01 1.021079726e+02 1.260115712e+02 1.42 4.270714628e+01 9.162861668e+01 1.142738698e+02 1.44 3.696490162e+01 8.202139108e+01 1.033849398e+02 1.46 3.188919322e+01 7.322476213e+01 9.326605504e+01 1.48 2.741432300e+01 6.514844500e+01 8.387423202e+01 1.50 2.347194856e+01 5.771437144e+01 7.517018073e+01 1.52 1.994208040e+01 5.086640336e+01 6.710638869e+01 1.54 1.678714076e+01 4.455803636e+01 5.963976142e+01 1.56 1.404080256e+01 3.878301991e+01 5.274673705e+01 1.58 1.166137730e+01 3.355208100e+01 4.641594398e+01 1.60 9.599607322e+00 2.886413960e+01 4.063619341e+01 1.62 7.797008127e+00 2.470008178e+01 3.539622215e+01 1.64 6.196381357e+00 2.104110868e+01 3.067963878e+01 1.66 4.762840429e+00 1.776838335e+01 2.644483479e+01 1.68 3.488441074e+00 1.489212121e+01 2.263951386e+01 1.70 2.367549069e+00 1.240025685e+01 1.916711901e+01 1.72 1.395586237e+00 1.024107508e+01 1.592953291e+01 1.74 5.710748542e-01 8.362003519e+00 1.300985435e+01 1.76 -1.068471487e-01 6.716442268e+00 1.040586298e+01 1.78 -6.514842301e-01 5.268612458e+00 8.116141498e+00 1.80 -1.086357406e+00 3.994725231e+00 6.141871625e+00 1.82 -1.430886554e+00 2.885248267e+00 4.486410859e+00 1.84 -1.702268205e+00 1.932015374e+00 3.143236391e+00 1.86 -1.918732263e+00 1.123602011e+00 2.079269077e+00 1.88 -2.094823744e+00 4.482504546e-01 1.252977677e+00 1.90 -2.242378337e+00 -1.045061049e-01 6.211920962e-01 1.92 -2.365470714e+00 -5.493678192e-01 1.374994179e-01 1.94 -2.464187077e+00 -9.077576669e-01 -2.393471268e-01 1.96 -2.538394597e+00 -1.199996737e+00 -5.473739258e-01 1.98 -2.594550248e+00 -1.446129189e+00 -8.184376058e-01 2.00 -2.640308446e+00 -1.666123577e+00 -1.070995300e+00 2.02 -2.682885025e+00 -1.874124938e+00 -1.315578650e+00 2.04 -2.729413154e+00 -2.070769201e+00 -1.548203215e+00 2.06 -2.785400846e+00 -2.254149300e+00 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-3.163848650e+00 -3.260367107e+00 2.44 -2.840772073e+00 -3.154105888e+00 -3.279351801e+00 2.46 -2.757879176e+00 -3.141488345e+00 -3.293301137e+00 2.48 -2.673758210e+00 -3.126208636e+00 -3.302216930e+00 2.50 -2.591136091e+00 -3.109281366e+00 -3.305846940e+00 2.52 -2.512482300e+00 -3.091819909e+00 -3.303758106e+00 2.54 -2.439147644e+00 -3.074839869e+00 -3.295131664e+00 2.56 -2.372183151e+00 -3.058484173e+00 -3.279055267e+00 2.58 -2.312640086e+00 -3.041549114e+00 -3.254779239e+00 2.60 -2.261569095e+00 -3.022740737e+00 -3.222611672e+00 2.62 -2.220016686e+00 -3.001793697e+00 -3.183280908e+00 2.64 -2.187983249e+00 -2.977898550e+00 -3.137501439e+00 2.66 -2.162848920e+00 -2.949964958e+00 -3.085962032e+00 2.68 -2.141934925e+00 -2.916646847e+00 -3.029309628e+00 2.70 -2.123163775e+00 -2.876257017e+00 -2.968731225e+00 2.72 -2.104516884e+00 -2.827405957e+00 -2.905682173e+00 2.74 -2.083965654e+00 -2.769272230e+00 -2.840742239e+00 2.76 -2.059466211e+00 -2.701928806e+00 -2.774433662e+00 2.78 -2.029142520e+00 -2.626899391e+00 -2.707273817e+00 2.80 -1.991026621e+00 -2.545852546e+00 -2.639764628e+00 2.82 -1.943057234e+00 -2.460457949e+00 -2.572425881e+00 2.84 -1.883091329e+00 -2.372527520e+00 -2.505799684e+00 2.86 -1.811479311e+00 -2.284134356e+00 -2.440779829e+00 2.88 -1.729792797e+00 -2.197379070e+00 -2.378547736e+00 2.90 -1.639646543e+00 -2.114470085e+00 -2.320456249e+00 2.92 -1.542731914e+00 -2.037826416e+00 -2.268175140e+00 2.94 -1.440746299e+00 -1.969740376e+00 -2.223231294e+00 2.96 -1.335383824e+00 -1.910548645e+00 -2.185408934e+00 2.98 -1.228580776e+00 -1.859174170e+00 -2.153500925e+00 3.00 -1.123222887e+00 -1.814443872e+00 -2.126283738e+00 3.02 -1.022423546e+00 -1.775264041e+00 -2.102527529e+00 3.04 -9.292475691e-01 -1.740300164e+00 -2.080994534e+00 3.06 -8.454962759e-01 -1.708138329e+00 -2.060436970e+00 3.08 -7.715397328e-01 -1.677299663e+00 -2.039500620e+00 3.10 -7.075335416e-01 -1.645939175e+00 -2.016282668e+00 3.12 -6.535678070e-01 -1.612077635e+00 -1.988993069e+00 3.14 -6.091437627e-01 -1.573734000e+00 -1.955708096e+00 3.16 -5.729034139e-01 -1.529165042e+00 -1.914379469e+00 3.18 -5.434153454e-01 -1.477797205e+00 -1.863740242e+00 3.20 -5.192420501e-01 -1.420542696e+00 -1.804576060e+00 3.22 -4.989397009e-01 -1.358532894e+00 -1.738004298e+00 3.24 -4.810581253e-01 -1.292896461e+00 -1.665141401e+00 3.26 -4.643125449e-01 -1.224767124e+00 -1.587114853e+00 3.28 -4.480040507e-01 -1.155456273e+00 -1.505322251e+00 3.30 -4.319435155e-01 -1.086452736e+00 -1.421431383e+00 3.32 -4.161775066e-01 -1.019169330e+00 -1.337121645e+00 3.34 -4.006824994e-01 -9.545967247e-01 -1.254072452e+00 3.36 -3.854532464e-01 -8.935869463e-01 -1.173963504e+00 3.38 -3.705559541e-01 -8.369885673e-01 -1.098475017e+00 3.40 -3.562032512e-01 -7.856053340e-01 -1.029179788e+00 3.42 -3.425085409e-01 -7.395442845e-01 -9.665009645e-01 3.44 -3.295582167e-01 -6.983332444e-01 -9.101235950e-01 3.46 -3.174350122e-01 -6.614066887e-01 -8.596083789e-01 3.48 -3.060419682e-01 -6.280199090e-01 -8.142179452e-01 3.50 -2.952257949e-01 -5.975636296e-01 -7.731627025e-01 3.52 -2.848218257e-01 -5.695056967e-01 -7.356511234e-01 3.54 -2.746662141e-01 -5.433133791e-01 -7.008898601e-01 3.56 -2.645983241e-01 -5.184529292e-01 -6.680837196e-01 3.58 -2.544595721e-01 -4.943896974e-01 -6.364355429e-01 3.60 -2.441135890e-01 -4.705882936e-01 -6.051462687e-01 3.62 -2.334858204e-01 -4.465126015e-01 -5.734148227e-01 3.64 -2.225259532e-01 -4.217197979e-01 -5.405820559e-01 3.66 -2.113021899e-01 -3.963414637e-01 -5.068196865e-01 3.68 -1.999447049e-01 -3.706889851e-01 -4.726299785e-01 3.70 -1.885827308e-01 -3.450844581e-01 -4.385317321e-01 3.72 -1.773458976e-01 -3.198418078e-01 -4.050141244e-01 3.74 -1.663632183e-01 -2.953172437e-01 -3.725487922e-01 3.76 -1.557631998e-01 -2.719407082e-01 -3.416065407e-01 3.78 -1.456724556e-01 -2.501202263e-01 -3.127437983e-01 3.80 -1.362228891e-01 -2.301921461e-01 -2.865937557e-01 3.82 -1.275272710e-01 -2.125303717e-01 -2.637053659e-01 3.84 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