# 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 = MnNi3 # 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 4.754370892e+02 nan nan 0.90 4.309143999e+02 nan nan 0.92 3.905847626e+02 nan nan 0.94 3.541289248e+02 nan nan 0.96 3.212363505e+02 nan nan 0.98 2.915213214e+02 4.349888539e+02 4.936921206e+02 1.00 2.646305832e+02 3.982515166e+02 4.521740954e+02 1.02 2.402365360e+02 3.643563840e+02 4.140548685e+02 1.04 2.180226156e+02 3.332188342e+02 3.791772933e+02 1.06 1.977990320e+02 3.047581036e+02 3.473866597e+02 1.08 1.793304223e+02 2.788338492e+02 3.184378846e+02 1.10 1.623853552e+02 2.551630437e+02 2.919427643e+02 1.12 1.467962802e+02 2.334454246e+02 2.675323525e+02 1.14 1.324698420e+02 2.133589561e+02 2.449392941e+02 1.16 1.193806774e+02 1.946555553e+02 2.240438919e+02 1.18 1.075464630e+02 1.772460863e+02 2.048198951e+02 1.20 9.692671828e+01 1.611241666e+02 1.872957543e+02 1.22 8.735165114e+01 1.463063753e+02 1.714139411e+02 1.24 7.865007574e+01 1.327909153e+02 1.569607041e+02 1.26 7.064765849e+01 1.205203077e+02 1.437158857e+02 1.28 6.319384883e+01 1.094040846e+02 1.314629890e+02 1.30 5.623752024e+01 9.929303041e+01 1.200014983e+02 1.32 4.979617396e+01 9.002028092e+01 1.092343259e+02 1.34 4.390506661e+01 8.146135579e+01 9.913853796e+01 1.36 3.858890949e+01 7.352848357e+01 8.974483967e+01 1.38 3.385693708e+01 6.617925804e+01 8.106812428e+01 1.40 2.970104869e+01 5.940697413e+01 7.311085812e+01 1.42 2.606839097e+01 5.321733986e+01 6.586651713e+01 1.44 2.290194948e+01 4.759103249e+01 5.929683065e+01 1.46 2.013907800e+01 4.247890846e+01 5.333879454e+01 1.48 1.771680333e+01 3.782522505e+01 4.793384122e+01 1.50 1.558295398e+01 3.358815642e+01 4.301800064e+01 1.52 1.371461019e+01 2.972779620e+01 3.852672615e+01 1.54 1.209109205e+01 2.620764659e+01 3.441845340e+01 1.56 1.020181599e+01 2.301534600e+01 3.067609609e+01 1.58 8.485366432e+00 2.015667418e+01 2.728233767e+01 1.60 6.959535983e+00 1.763391905e+01 2.421493019e+01 1.62 5.603188677e+00 1.544447711e+01 2.145982050e+01 1.64 4.387234364e+00 1.358137733e+01 1.899869973e+01 1.66 3.301928607e+00 1.203368516e+01 1.680048753e+01 1.68 2.341662500e+00 1.068153109e+01 1.483176519e+01 1.70 1.500362865e+00 9.260951100e+00 1.306078756e+01 1.72 7.740878085e-01 7.930486868e+00 1.147371773e+01 1.74 1.573780477e-01 6.749153415e+00 9.805749543e+00 1.76 -3.558507929e-01 5.684941986e+00 8.106914828e+00 1.78 -7.775861616e-01 4.704300515e+00 6.582886817e+00 1.80 -1.129858904e+00 3.792634083e+00 5.241872208e+00 1.82 -1.428420109e+00 2.950437086e+00 4.085853678e+00 1.84 -1.683871811e+00 2.177295397e+00 3.118867831e+00 1.86 -1.907369870e+00 1.471478171e+00 2.322184439e+00 1.88 -2.110009461e+00 8.335716245e-01 1.667779451e+00 1.90 -2.300968623e+00 2.630299992e-01 1.127662149e+00 1.92 -2.482425190e+00 -2.437569076e-01 6.740621796e-01 1.94 -2.656422756e+00 -6.926390032e-01 2.811704369e-01 1.96 -2.822177807e+00 -1.090875364e+00 -7.580513202e-02 1.98 -2.978268545e+00 -1.445418815e+00 -4.158680575e-01 2.00 -3.123218056e+00 -1.763190710e+00 -7.444349917e-01 2.02 -3.254994187e+00 -2.050547702e+00 -1.064026836e+00 2.04 -3.372798173e+00 -2.310268981e+00 -1.371965476e+00 2.06 -3.476778639e+00 -2.544098776e+00 -1.664396156e+00 2.08 -3.566763442e+00 -2.753675099e+00 -1.937649138e+00 2.10 -3.642807039e+00 -2.941051959e+00 -2.188164677e+00 2.12 -3.705429488e+00 -3.109726718e+00 -2.415018260e+00 2.14 -3.756050687e+00 -3.260820891e+00 -2.619936164e+00 2.16 -3.796743629e+00 -3.394911280e+00 -2.805707198e+00 2.18 -3.828592500e+00 -3.512384133e+00 -2.974223066e+00 2.20 -3.852976755e+00 -3.613587995e+00 -3.126937122e+00 2.22 -3.871023948e+00 -3.698848206e+00 -3.265116811e+00 2.24 -3.882573724e+00 -3.768750813e+00 -3.390019418e+00 2.26 -3.887049108e+00 -3.824778680e+00 -3.502584701e+00 2.28 -3.883865008e+00 -3.868414359e+00 -3.603368058e+00 2.30 -3.872426513e+00 -3.901103099e+00 -3.692899174e+00 2.32 -3.852139171e+00 -3.924333017e+00 -3.771729586e+00 2.34 -3.822661305e+00 -3.939749869e+00 -3.840423297e+00 2.36 -3.783878476e+00 -3.949027122e+00 -3.899517859e+00 2.38 -3.735655719e+00 -3.952930465e+00 -3.949534061e+00 2.40 -3.677796646e+00 -3.952054159e+00 -3.991125767e+00 2.42 -3.609658769e+00 -3.946704198e+00 -4.024926625e+00 2.44 -3.531790561e+00 -3.937360512e+00 -4.051274441e+00 2.46 -3.448078238e+00 -3.924648788e+00 -4.070523362e+00 2.48 -3.361239848e+00 -3.909520245e+00 -4.082821082e+00 2.50 -3.273299894e+00 -3.893098358e+00 -4.088061252e+00 2.52 -3.186294009e+00 -3.875867300e+00 -4.086039706e+00 2.54 -3.102270623e+00 -3.858022873e+00 -4.076544924e+00 2.56 -3.023292986e+00 -3.839618176e+00 -4.059357483e+00 2.58 -2.950573731e+00 -3.819363125e+00 -4.034302678e+00 2.60 -2.885175342e+00 -3.795802515e+00 -4.001548440e+00 2.62 -2.828941073e+00 -3.767423890e+00 -3.961392563e+00 2.64 -2.782660359e+00 -3.732855149e+00 -3.914117385e+00 2.66 -2.744490051e+00 -3.691204021e+00 -3.859985633e+00 2.68 -2.712155924e+00 -3.641587770e+00 -3.799235327e+00 2.70 -2.683376616e+00 -3.583879030e+00 -3.732077053e+00 2.72 -2.655867466e+00 -3.517183275e+00 -3.658981763e+00 2.74 -2.627332813e+00 -3.441132043e+00 -3.581018253e+00 2.76 -2.595465880e+00 -3.356247263e+00 -3.501062761e+00 2.78 -2.557948328e+00 -3.264498607e+00 -3.420477015e+00 2.80 -2.512450107e+00 -3.167998359e+00 -3.339527410e+00 2.82 -2.456628839e+00 -3.068857140e+00 -3.259294699e+00 2.84 -2.388519014e+00 -2.969184510e+00 -3.180904443e+00 2.86 -2.308948323e+00 -2.871089575e+00 -3.105593557e+00 2.88 -2.219958199e+00 -2.776682048e+00 -3.034688766e+00 2.90 -2.123578406e+00 -2.688073193e+00 -2.969513717e+00 2.92 -2.021819477e+00 -2.607377297e+00 -2.911386049e+00 2.94 -1.916882472e+00 -2.536521114e+00 -2.861440306e+00 2.96 -1.811384844e+00 -2.475016192e+00 -2.819065529e+00 2.98 -1.707432870e+00 -2.421273210e+00 -2.782657258e+00 3.00 -1.607094013e+00 -2.373802072e+00 -2.750593510e+00 3.02 -1.512430837e+00 -2.331104544e+00 -2.721246132e+00 3.04 -1.425456556e+00 -2.291674065e+00 -2.692980729e+00 3.06 -1.346920578e+00 -2.253995488e+00 -2.664156601e+00 3.08 -1.276164473e+00 -2.216544674e+00 -2.633126767e+00 3.10 -1.212452254e+00 -2.177787983e+00 -2.598237980e+00 3.12 -1.155044241e+00 -2.136181615e+00 -2.557830437e+00 3.14 -1.103197267e+00 -2.090171620e+00 -2.510237948e+00 3.16 -1.056164907e+00 -2.038322168e+00 -2.453789055e+00 3.18 -1.013197582e+00 -1.979956800e+00 -2.387587982e+00 3.20 -9.735427071e-01 -1.915980783e+00 -2.312785606e+00 3.22 -9.364449160e-01 -1.847810262e+00 -2.230857736e+00 3.24 -9.011463545e-01 -1.776463499e+00 -2.143271861e+00 3.26 -8.670555668e-01 -1.702928069e+00 -2.051486479e+00 3.28 -8.340681630e-01 -1.628187812e+00 -1.956961808e+00 3.30 -8.021656689e-01 -1.553223015e+00 -1.861591600e+00 3.32 -7.713274006e-01 -1.479010623e+00 -1.767096882e+00 3.34 -7.415306025e-01 -1.406524349e+00 -1.674986893e+00 3.36 -7.127505330e-01 -1.336734840e+00 -1.586771227e+00 3.38 -6.849606409e-01 -1.270609806e+00 -1.503960462e+00 3.40 -6.581326355e-01 -1.209072925e+00 -1.427886325e+00 3.42 -6.322365627e-01 -1.152352142e+00 -1.358561589e+00 3.44 -6.072408866e-01 -1.100097826e+00 -1.295460293e+00 3.46 -5.831126019e-01 -1.051940424e+00 -1.238055341e+00 3.48 -5.598172928e-01 -1.007509328e+00 -1.185817347e+00 3.50 -5.373191914e-01 -9.664412356e-01 -1.138214817e+00 3.52 -5.155813919e-01 -9.283755962e-01 -1.094714200e+00 3.54 -4.945658969e-01 -8.929506156e-01 -1.054780011e+00 3.56 -4.742332796e-01 -8.598033313e-01 -1.017874829e+00 3.58 -4.545430699e-01 -8.285696559e-01 -9.834593795e-01 3.60 -4.354626346e-01 -7.988844133e-01 -9.509926555e-01 3.62 -4.169843996e-01 -7.703813886e-01 -9.199319334e-01 3.64 -3.991065510e-01 -7.427528265e-01 -8.898219010e-01 3.66 -3.818288727e-01 -7.159275699e-01 -8.605618357e-01 3.68 -3.651530127e-01 -6.898930240e-01 -8.321385211e-01 3.70 -3.490827435e-01 -6.646358273e-01 -8.045373347e-01 3.72 -3.336242126e-01 -6.401419368e-01 -7.777420981e-01 3.74 -3.187863202e-01 -6.163966686e-01 -7.517352588e-01 3.76 -3.045813046e-01 -5.933847758e-01 -7.264978323e-01 3.78 -2.910246148e-01 -5.710906637e-01 -7.020095122e-01 3.80 -2.781360252e-01 -5.494982565e-01 -6.782487058e-01 3.82 -2.659396971e-01 -5.285909822e-01 -6.551925176e-01 3.84 -2.544646956e-01 -5.083520802e-01 -6.328167839e-01 3.86 -2.437455008e-01 -4.887645825e-01 -6.110960987e-01 3.88 -2.338232112e-01 -4.698114245e-01 -5.900038228e-01 3.90 -2.247429480e-01 -4.514754990e-01 -5.695120916e-01 3.92 -2.164653676e-01 -4.337397472e-01 -5.495918030e-01 3.94 -2.084188002e-01 -4.165872647e-01 -5.302126641e-01 3.96 -2.004879863e-01 -4.000014347e-01 -5.113432859e-01 3.98 -1.926712478e-01 -3.839660094e-01 -4.929508374e-01 4.00 -1.849701670e-01 -3.684651175e-01 -4.750010863e-01 4.02 -1.773785017e-01 -3.534869408e-01 -4.574630367e-01 4.04 -1.698681544e-01 -3.390354420e-01 -4.403229026e-01 4.06 -1.623947156e-01 -3.251201165e-01 -4.235713104e-01 4.08 -1.552017793e-01 -3.117539250e-01 -4.071988961e-01 4.10 -1.484219454e-01 -2.989524954e-01 -3.911962999e-01 4.12 -1.413651132e-01 -2.867362152e-01 -3.755542070e-01 4.14 -1.335266617e-01 -2.751279251e-01 -3.602633033e-01 4.16 -1.248735483e-01 -2.640759117e-01 -3.453142729e-01 4.18 -1.161378713e-01 -2.532807506e-01 -3.306979259e-01 4.20 -1.079397603e-01 -2.427084175e-01 -3.164051663e-01 4.22 -1.005781000e-01 -2.323589238e-01 -3.024266818e-01 4.24 -9.415188757e-02 -2.222276052e-01 -2.887537027e-01 4.26 -8.866314756e-02 -2.122970658e-01 -2.753771513e-01 4.28 -8.408638554e-02 -2.025528620e-01 -2.622880988e-01 4.30 -8.014624071e-02 -1.929854701e-01 -2.494782541e-01 4.32 -7.632242200e-02 -1.835940400e-01 -2.369385465e-01 4.34 -7.260843975e-02 -1.743648609e-01 -2.246606858e-01 4.36 -6.901054074e-02 -1.652811219e-01 -2.126309833e-01 4.38 -6.553425523e-02 -1.563389675e-01 -2.008545476e-01 4.40 -6.217306819e-02 -1.475428735e-01 -1.893408655e-01 4.42 -5.890998849e-02 -1.388940075e-01 -1.780537266e-01 4.44 -5.576248486e-02 -1.304072198e-01 -1.669597694e-01 4.46 -5.274598867e-02 -1.220486999e-01 -1.560579096e-01 4.48 -4.987267578e-02 -1.138609211e-01 -1.453195320e-01 4.50 -4.715203106e-02 -1.059565056e-01 -1.347137988e-01 4.52 -4.459134482e-02 -9.844103427e-02 -1.242095716e-01 4.54 -4.219614899e-02 -9.120569959e-02 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