# 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 = FeMn3 # 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 1.047127829e+03 nan nan 0.90 9.618236276e+02 nan nan 0.92 8.837821335e+02 nan nan 0.94 8.123274508e+02 nan nan 0.96 7.468429696e+02 nan nan 0.98 6.867022866e+02 9.674372891e+02 1.067072909e+03 1.00 6.313595047e+02 8.976521625e+02 9.877510425e+02 1.02 5.803257194e+02 8.331345347e+02 9.151281979e+02 1.04 5.331401389e+02 7.730684426e+02 8.486500105e+02 1.06 4.893606919e+02 7.168157059e+02 7.876963719e+02 1.08 4.486155258e+02 6.641095152e+02 7.316111271e+02 1.10 4.105894459e+02 6.147039430e+02 6.798463757e+02 1.12 3.749950545e+02 5.683121374e+02 6.318550405e+02 1.14 3.416191794e+02 5.247322449e+02 5.871160042e+02 1.16 3.103934702e+02 4.838475991e+02 5.450895550e+02 1.18 2.812656077e+02 4.455369296e+02 5.053689071e+02 1.20 2.541760064e+02 4.096627480e+02 4.678417249e+02 1.22 2.290062905e+02 3.760855709e+02 4.324328549e+02 1.24 2.055878524e+02 3.446346752e+02 3.990623956e+02 1.26 1.837929512e+02 3.151587202e+02 3.676005671e+02 1.28 1.635903274e+02 2.875459589e+02 3.379304306e+02 1.30 1.449763504e+02 2.616921269e+02 3.099904473e+02 1.32 1.279259982e+02 2.374969683e+02 2.837381694e+02 1.34 1.123783916e+02 2.148571126e+02 2.591502048e+02 1.36 9.824970437e+01 1.936869418e+02 2.361985078e+02 1.38 8.544990140e+01 1.739546438e+02 2.148306215e+02 1.40 7.388632988e+01 1.556597379e+02 1.949481885e+02 1.42 6.347894909e+01 1.388088362e+02 1.764216419e+02 1.44 5.415982768e+01 1.233771792e+02 1.591333593e+02 1.46 4.585530201e+01 1.093025910e+02 1.429972784e+02 1.48 3.849653842e+01 9.649166746e+01 1.279645353e+02 1.50 3.201746646e+01 8.484656540e+01 1.139905668e+02 1.52 2.635970735e+01 7.428761802e+01 1.010365180e+02 1.54 2.146639903e+01 6.474122996e+01 8.906352296e+01 1.56 1.728183717e+01 5.615210250e+01 7.803078979e+01 1.58 1.374568795e+01 4.846670054e+01 6.791417881e+01 1.60 1.079365284e+01 4.161868470e+01 5.869720538e+01 1.62 8.354457163e+00 3.553824278e+01 5.036417010e+01 1.64 6.348765423e+00 3.015975804e+01 4.289587649e+01 1.66 4.708262473e+00 2.541739139e+01 3.624864735e+01 1.68 3.386718457e+00 2.124858348e+01 3.036447036e+01 1.70 2.338076214e+00 1.759658239e+01 2.518186496e+01 1.72 1.516304336e+00 1.440292953e+01 2.063970378e+01 1.74 8.791559903e-01 1.160452821e+01 1.668873387e+01 1.76 3.872476492e-01 9.156725669e+00 1.328481620e+01 1.78 -1.138680332e-03 7.037083644e+00 1.038299508e+01 1.80 -3.272997594e-01 5.222290881e+00 7.944208565e+00 1.82 -6.142696729e-01 3.690320682e+00 5.932103493e+00 1.84 -8.711789385e-01 2.421022257e+00 4.303945720e+00 1.86 -1.106708621e+00 1.390357038e+00 3.011828692e+00 1.88 -1.322509896e+00 5.730787071e-01 2.007550923e+00 1.90 -1.519239225e+00 -5.458245008e-02 1.241099263e+00 1.92 -1.697741728e+00 -5.178064306e-01 6.592818200e-01 1.94 -1.855648115e+00 -8.500201454e-01 2.173583758e-01 1.96 -1.990972420e+00 -1.085396235e+00 -1.210546308e-01 1.98 -2.108361354e+00 -1.258094867e+00 -3.920095135e-01 2.00 -2.213625471e+00 -1.402121580e+00 -6.311998506e-01 2.02 -2.312283184e+00 -1.543065979e+00 -8.649047765e-01 2.04 -2.409173168e+00 -1.684506144e+00 -1.092209697e+00 2.06 -2.508391327e+00 -1.825458371e+00 -1.306182836e+00 2.08 -2.606813014e+00 -1.964880647e+00 -1.500523386e+00 2.10 -2.700007032e+00 -2.100998287e+00 -1.669046984e+00 2.12 -2.784737888e+00 -2.232593920e+00 -1.809225208e+00 2.14 -2.858172120e+00 -2.358426383e+00 -1.926677293e+00 2.16 -2.918418112e+00 -2.476383103e+00 -2.028972879e+00 2.18 -2.966399928e+00 -2.584391707e+00 -2.123618537e+00 2.20 -3.003546570e+00 -2.680182228e+00 -2.217056760e+00 2.22 -3.031189395e+00 -2.761340686e+00 -2.313943021e+00 2.24 -3.050018097e+00 -2.826313725e+00 -2.413232556e+00 2.26 -3.060470098e+00 -2.876962895e+00 -2.512187315e+00 2.28 -3.062982126e+00 -2.916260411e+00 -2.608063667e+00 2.30 -3.057990477e+00 -2.947518003e+00 -2.698098264e+00 2.32 -3.045930689e+00 -2.974098441e+00 -2.779170931e+00 2.34 -3.027237227e+00 -2.999088832e+00 -2.849580402e+00 2.36 -3.002384153e+00 -3.024203336e+00 -2.909779027e+00 2.38 -2.972381932e+00 -3.048281937e+00 -2.960709917e+00 2.40 -2.938430638e+00 -3.069818083e+00 -3.003329126e+00 2.42 -2.901344883e+00 -3.087296855e+00 -3.038582388e+00 2.44 -2.861918156e+00 -3.099183311e+00 -3.067369171e+00 2.46 -2.820912326e+00 -3.103985306e+00 -3.090139402e+00 2.48 -2.779073939e+00 -3.101220561e+00 -3.106860907e+00 2.50 -2.737150247e+00 -3.091361917e+00 -3.117513617e+00 2.52 -2.695628282e+00 -3.075047331e+00 -3.122192195e+00 2.54 -2.653874864e+00 -3.052842651e+00 -3.120677701e+00 2.56 -2.610956573e+00 -3.025255444e+00 -3.112653833e+00 2.58 -2.565940752e+00 -2.992791405e+00 -3.097966027e+00 2.60 -2.517895494e+00 -2.955958502e+00 -3.077520219e+00 2.62 -2.465889627e+00 -2.915533642e+00 -3.052650822e+00 2.64 -2.408992702e+00 -2.872464774e+00 -3.024722402e+00 2.66 -2.346280644e+00 -2.827696081e+00 -2.995166373e+00 2.68 -2.277222159e+00 -2.781817192e+00 -2.965286334e+00 2.70 -2.202319613e+00 -2.734825140e+00 -2.936020385e+00 2.72 -2.122590785e+00 -2.686658949e+00 -2.907751086e+00 2.74 -2.039082029e+00 -2.637262015e+00 -2.879766383e+00 2.76 -1.952847060e+00 -2.586578516e+00 -2.851208497e+00 2.78 -1.864940790e+00 -2.534553316e+00 -2.821218711e+00 2.80 -1.776418701e+00 -2.481131933e+00 -2.788937165e+00 2.82 -1.688295936e+00 -2.426261949e+00 -2.753502633e+00 2.84 -1.601109429e+00 -2.370034546e+00 -2.714073901e+00 2.86 -1.515086064e+00 -2.312803775e+00 -2.670160775e+00 2.88 -1.430448211e+00 -2.254939921e+00 -2.621560823e+00 2.90 -1.347459506e+00 -2.196600259e+00 -2.568243633e+00 2.92 -1.266463487e+00 -2.137827488e+00 -2.510496932e+00 2.94 -1.187813006e+00 -2.078675483e+00 -2.448644332e+00 2.96 -1.111860972e+00 -2.019198602e+00 -2.383008531e+00 2.98 -1.039106074e+00 -1.959451448e+00 -2.313910757e+00 3.00 -9.702157384e-01 -1.899427535e+00 -2.241703534e+00 3.02 -9.057173214e-01 -1.839158474e+00 -2.167127005e+00 3.04 -8.461353747e-01 -1.778790259e+00 -2.091145815e+00 3.06 -7.919936225e-01 -1.718470897e+00 -2.014727577e+00 3.08 -7.437916271e-01 -1.658286405e+00 -1.938746943e+00 3.10 -7.018923904e-01 -1.597959560e+00 -1.863533816e+00 3.12 -6.665967160e-01 -1.537081707e+00 -1.789221167e+00 3.14 -6.376192189e-01 -1.475244044e+00 -1.715942088e+00 3.16 -6.138183239e-01 -1.412148934e+00 -1.643830059e+00 3.18 -5.939813379e-01 -1.348032546e+00 -1.573018955e+00 3.20 -5.768915025e-01 -1.283476893e+00 -1.503643050e+00 3.22 -5.613271180e-01 -1.219091965e+00 -1.435837003e+00 3.24 -5.460605094e-01 -1.155487023e+00 -1.369735799e+00 3.26 -5.298600053e-01 -1.093278392e+00 -1.305486568e+00 3.28 -5.117524341e-01 -1.033262971e+00 -1.243507473e+00 3.30 -4.916996927e-01 -9.764173296e-01 -1.184487720e+00 3.32 -4.699784824e-01 -9.236408597e-01 -1.129125207e+00 3.34 -4.467237362e-01 -8.752085385e-01 -1.077814182e+00 3.36 -4.227412104e-01 -8.308993809e-01 -1.030415831e+00 3.38 -3.995227902e-01 -7.904524051e-01 -9.867384390e-01 3.40 -3.730862755e-01 -7.536023049e-01 -9.465907884e-01 3.42 -3.424034049e-01 -7.200784784e-01 -9.097821766e-01 3.44 -3.112965280e-01 -6.896037358e-01 -8.761223003e-01 3.46 -2.828468237e-01 -6.617969810e-01 -8.453141239e-01 3.48 -2.577185170e-01 -6.360054197e-01 -8.167647447e-01 3.50 -2.356337052e-01 -6.116974092e-01 -7.898311567e-01 3.52 -2.160567316e-01 -5.884228970e-01 -7.638710787e-01 3.54 -1.984235898e-01 -5.657322021e-01 -7.382430066e-01 3.56 -1.822428878e-01 -5.431750557e-01 -7.123062847e-01 3.58 -1.676816030e-01 -5.203003695e-01 -6.854211509e-01 3.60 -1.546259639e-01 -4.966559201e-01 -6.569490416e-01 3.62 -1.415706994e-01 -4.717870834e-01 -6.262522603e-01 3.64 -1.274677521e-01 -4.452731364e-01 -5.927492529e-01 3.66 -1.122344189e-01 -4.170519281e-01 -5.563933636e-01 3.68 -9.637351915e-02 -3.874732921e-01 -5.177390140e-01 3.70 -8.099612690e-02 -3.566661736e-01 -4.774797634e-01 3.72 -6.677806926e-02 -3.259536220e-01 -4.363097070e-01 3.74 -5.399868893e-02 -2.968603365e-01 -3.946819504e-01 3.76 -4.271461340e-02 -2.668839371e-01 -3.542834016e-01 3.78 -3.290775542e-02 -2.343449119e-01 -3.161662898e-01 3.80 -2.460364072e-02 -2.000775095e-01 -2.775396602e-01 3.82 -1.781181612e-02 -1.675809053e-01 -2.379211676e-01 3.84 -1.244680912e-02 -1.395031125e-01 -2.006662470e-01 3.86 -8.308699407e-03 -1.162179088e-01 -1.690505763e-01 3.88 -5.217411601e-03 -9.628339719e-02 -1.418485197e-01 3.90 -3.012886071e-03 -7.876382117e-02 -1.172348913e-01 3.92 -1.540318271e-03 -6.323909098e-02 -9.470201655e-02 3.94 -6.492276157e-04 -5.000049425e-02 -7.500934943e-02 3.96 -1.922723904e-04 -3.922409413e-02 -5.884942163e-02 3.98 -2.402982182e-05 -3.068909741e-02 -4.603579579e-02 4.00 1.610783387e-10 -2.390591302e-02 -3.585886951e-02 4.02 0.000000000e+00 -1.831736749e-02 -2.747605124e-02 4.04 0.000000000e+00 -1.373423886e-02 -2.060135829e-02 4.06 0.000000000e+00 -1.005014841e-02 -1.507522262e-02 4.08 0.000000000e+00 -7.152059180e-03 -1.072808877e-02 4.10 0.000000000e+00 -4.929074852e-03 -7.393612278e-03 4.12 0.000000000e+00 -3.275908928e-03 -4.913863392e-03 4.14 0.000000000e+00 -2.093219595e-03 -3.139829393e-03 4.16 0.000000000e+00 -1.286390160e-03 -1.929585240e-03 4.18 0.000000000e+00 -7.638225080e-04 -1.145733762e-03 4.20 0.000000000e+00 -4.354010775e-04 -6.531016162e-04 4.22 0.000000000e+00 -2.229253950e-04 -3.343880924e-04 4.24 0.000000000e+00 -9.404665100e-05 -1.410699765e-04 4.26 0.000000000e+00 -2.786567437e-05 -4.179851156e-05 4.28 0.000000000e+00 -3.483209299e-06 -5.224813948e-06 4.30 0.000000000e+00 7.918935896e-15 1.187840385e-14 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00