# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Kim-Y-M-Shin-Y-H-Lee-B-J--Fe-Mn # implementation = 2009--Kim-Y-M--Fe-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 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 4.503436327e+02 nan nan 0.74 4.214597958e+02 nan nan 0.76 3.943577429e+02 nan nan 0.78 3.689230802e+02 4.634371919e+02 nan 0.80 3.450497433e+02 4.346775847e+02 nan 0.82 3.226393258e+02 4.076404184e+02 4.739467840e+02 0.84 3.016004510e+02 3.822235529e+02 4.459063292e+02 0.86 2.818481881e+02 3.583307808e+02 4.194308181e+02 0.88 2.633035140e+02 3.358715099e+02 3.944358797e+02 0.90 2.458928193e+02 3.147604602e+02 3.708415902e+02 0.92 2.295474576e+02 2.949173738e+02 3.485722420e+02 0.94 2.142033355e+02 2.762667378e+02 3.275561244e+02 0.96 1.998005414e+02 2.587375195e+02 3.077253164e+02 0.98 1.862830101e+02 2.422629142e+02 2.890154895e+02 1.00 1.735982191e+02 2.267801038e+02 2.713657206e+02 1.02 1.616969157e+02 2.122300280e+02 2.547183153e+02 1.04 1.505328705e+02 1.985571650e+02 2.390186394e+02 1.06 1.400626548e+02 1.857093248e+02 2.242149594e+02 1.08 1.302454399e+02 1.736374520e+02 2.102582914e+02 1.10 1.210428156e+02 1.622954388e+02 1.971022577e+02 1.12 1.124186251e+02 1.516399484e+02 1.847029506e+02 1.14 1.043388157e+02 1.416302479e+02 1.730188030e+02 1.16 9.677130229e+01 1.322280502e+02 1.620104667e+02 1.18 8.968584305e+01 1.233973653e+02 1.516406956e+02 1.20 8.305392517e+01 1.151043598e+02 1.418742362e+02 1.22 7.684866002e+01 1.073172250e+02 1.326777224e+02 1.24 7.104468639e+01 1.000060521e+02 1.240195772e+02 1.26 6.561808106e+01 9.314271627e+01 1.158699184e+02 1.28 6.054627581e+01 8.670076642e+01 1.082004697e+02 1.30 5.580798024e+01 8.065532257e+01 1.009844761e+02 1.32 5.138310976e+01 7.498297941e+01 9.419662394e+01 1.34 4.725271834e+01 6.966171586e+01 8.781296485e+01 1.36 4.339893538e+01 6.467081038e+01 8.181084392e+01 1.38 3.980490659e+01 5.999076164e+01 7.616883133e+01 1.40 3.645473829e+01 5.560321421e+01 7.086665768e+01 1.42 3.333344494e+01 5.149088904e+01 6.588515263e+01 1.44 3.042689973e+01 4.763751828e+01 6.120618675e+01 1.46 2.772178789e+01 4.402778434e+01 5.681261638e+01 1.48 2.520556250e+01 4.064726279e+01 5.268823133e+01 1.50 2.286640277e+01 3.748236888e+01 4.881770542e+01 1.52 2.069317451e+01 3.452030752e+01 4.518654944e+01 1.54 1.867539271e+01 3.174902631e+01 4.178106670e+01 1.56 1.680318606e+01 2.915717164e+01 3.858831079e+01 1.58 1.506726334e+01 2.673404748e+01 3.559604566e+01 1.60 1.345888158e+01 2.446957675e+01 3.279270768e+01 1.62 1.196981580e+01 2.235426509e+01 3.016736976e+01 1.64 1.059233043e+01 2.037916693e+01 2.770970730e+01 1.66 9.319152106e+00 1.853585350e+01 2.540996598e+01 1.68 8.143443944e+00 1.681638297e+01 2.325893117e+01 1.70 7.058781123e+00 1.521327228e+01 2.124789898e+01 1.72 6.059127744e+00 1.371947070e+01 1.936864887e+01 1.74 5.138814909e+00 1.232833502e+01 1.761341763e+01 1.76 4.292519932e+00 1.103360617e+01 1.597487477e+01 1.78 3.515246658e+00 9.829387254e+00 1.444609918e+01 1.80 2.802306814e+00 8.710122879e+00 1.302055707e+01 1.82 2.149302356e+00 7.670579687e+00 1.169208101e+01 1.84 1.552108747e+00 6.705828040e+00 1.045485011e+01 1.86 1.006859143e+00 5.811224761e+00 9.303371280e+00 1.88 5.099294201e-01 4.982396874e+00 8.232461387e+00 1.90 5.792401476e-02 4.215226287e+00 7.237230464e+00 1.92 -3.523374662e-01 3.505835347e+00 6.313065737e+00 1.94 -7.238329071e-01 2.850573228e+00 5.455616529e+00 1.96 -1.059349647e+00 2.246003086e+00 4.660779959e+00 1.98 -1.361495784e+00 1.688889953e+00 3.924687398e+00 2.00 -1.632710861e+00 1.176189304e+00 3.243691651e+00 2.02 -1.875275943e+00 7.050362860e-01 2.614354821e+00 2.04 -2.091323143e+00 2.727355354e-01 2.033436816e+00 2.06 -2.282844606e+00 -1.232484194e-01 1.497884474e+00 2.08 -2.451700988e+00 -4.853002238e-01 1.004821263e+00 2.10 -2.599629456e+00 -8.156622533e-01 5.515375430e-01 2.12 -2.728251225e+00 -1.116442693e+00 1.354813361e-01 2.14 -2.839078673e+00 -1.389623163e+00 -2.457503985e-01 2.16 -2.933522038e+00 -1.637066955e+00 -5.944200259e-01 2.18 -3.012895738e+00 -1.860542074e+00 -9.126570517e-01 2.20 -3.078424311e+00 -2.061709408e+00 -1.202465517e+00 2.22 -3.131248024e+00 -2.242020884e+00 -1.465730998e+00 2.24 -3.172428141e+00 -2.402975058e+00 -1.704227221e+00 2.26 -3.202951889e+00 -2.545938019e+00 -1.919622330e+00 2.28 -3.223737126e+00 -2.672186102e+00 -2.113484807e+00 2.30 -3.235636735e+00 -2.782916650e+00 -2.287289076e+00 2.32 -3.239442759e+00 -2.879252561e+00 -2.442420803e+00 2.34 -3.235890278e+00 -2.962246591e+00 -2.580181902e+00 2.36 -3.225661067e+00 -3.032885419e+00 -2.701795282e+00 2.38 -3.209387023e+00 -3.092093474e+00 -2.808409320e+00 2.40 -3.187653388e+00 -3.140736562e+00 -2.901102103e+00 2.42 -3.161001779e+00 -3.179625277e+00 -2.980885430e+00 2.44 -3.129933025e+00 -3.209518233e+00 -3.048708597e+00 2.46 -3.094909837e+00 -3.231125104e+00 -3.105461977e+00 2.48 -3.056359312e+00 -3.245109500e+00 -3.151980301e+00 2.50 -3.014675279e+00 -3.252091678e+00 -3.188989675e+00 2.52 -2.970220503e+00 -3.252651103e+00 -3.216880433e+00 2.54 -2.923328751e+00 -3.247328858e+00 -3.236291341e+00 2.56 -2.874306724e+00 -3.236629923e+00 -3.249191772e+00 2.58 -2.823435877e+00 -3.221025326e+00 -3.255421641e+00 2.60 -2.770974119e+00 -3.200954162e+00 -3.255429645e+00 2.62 -2.717157403e+00 -3.176825510e+00 -3.249740883e+00 2.64 -2.662201223e+00 -3.149020227e+00 -3.238846187e+00 2.66 -2.606302015e+00 -3.117892650e+00 -3.223204137e+00 2.68 -2.549638468e+00 -3.083772193e+00 -3.203242960e+00 2.70 -2.492372753e+00 -3.046964852e+00 -3.179362329e+00 2.72 -2.434651683e+00 -3.007754630e+00 -3.151935052e+00 2.74 -2.376607794e+00 -2.966404868e+00 -3.121308677e+00 2.76 -2.318360367e+00 -2.923159510e+00 -3.087806998e+00 2.78 -2.260016395e+00 -2.878244281e+00 -3.051731481e+00 2.80 -2.201671485e+00 -2.831867813e+00 -3.013362610e+00 2.82 -2.143410725e+00 -2.784222686e+00 -2.972961151e+00 2.84 -2.085309500e+00 -2.735486422e+00 -2.930769353e+00 2.86 -2.027433892e+00 -2.685822415e+00 -2.887012076e+00 2.88 -1.966245460e+00 -2.635380807e+00 -2.841897852e+00 2.90 -1.865960575e+00 -2.584299313e+00 -2.795619892e+00 2.92 -1.630864106e+00 -2.532703996e+00 -2.748357028e+00 2.94 -1.297749458e+00 -2.480710004e+00 -2.700274611e+00 2.96 -1.247652944e+00 -2.428422255e+00 -2.651525344e+00 2.98 -1.198650523e+00 -2.375936094e+00 -2.602250078e+00 3.00 -1.150835375e+00 -2.323337908e+00 -2.552578559e+00 3.02 -1.104295625e+00 -2.270705714e+00 -2.502630125e+00 3.04 -1.059112934e+00 -2.218040609e+00 -2.452514375e+00 3.06 -1.015361016e+00 -2.158140016e+00 -2.402331786e+00 3.08 -9.731041305e-01 -2.055115515e+00 -2.352174300e+00 3.10 -9.323956526e-01 -1.863733781e+00 -2.302125882e+00 3.12 -8.932767933e-01 -1.695735223e+00 -2.252263028e+00 3.14 -8.556594518e-01 -1.650021134e+00 -2.202655266e+00 3.16 -8.094733329e-01 -1.604418131e+00 -2.153365603e+00 3.18 -7.059449287e-01 -1.558957968e+00 -2.104450968e+00 3.20 -4.498369303e-01 -1.513672216e+00 -2.055962609e+00 3.22 -1.301282571e-01 -1.468593089e+00 -2.007946480e+00 3.24 -1.244868587e-01 -1.423754293e+00 -1.960443595e+00 3.26 -1.190671220e-01 -1.379191881e+00 -1.913490368e+00 3.28 -1.138555255e-01 -1.334945106e+00 -1.867118926e+00 3.30 -1.088399832e-01 -1.291057213e+00 -1.821357409e+00 3.32 -1.040097440e-01 -1.247576152e+00 -1.776230242e+00 3.34 -9.935527697e-02 -1.204555150e+00 -1.731758401e+00 3.36 -9.486814854e-02 -1.162053079e+00 -1.687959654e+00 3.38 -9.054089633e-02 -1.120134582e+00 -1.644848792e+00 3.40 -8.636690439e-02 -1.078869862e+00 -1.602437841e+00 3.42 -8.234028297e-02 -1.038334118e+00 -1.560736266e+00 3.44 -7.845575602e-02 -9.986065563e-01 -1.519751154e+00 3.46 -7.470855825e-02 -9.597689806e-01 -1.479487393e+00 3.48 -7.109434322e-02 -9.219039709e-01 -1.439947833e+00 3.50 -6.760910307e-02 -8.850926966e-01 -1.401133444e+00 3.52 -6.404366920e-02 -8.472598064e-01 -1.360023278e+00 3.54 -5.792705728e-02 -7.819925294e-01 -1.278579511e+00 3.56 -4.385794770e-02 -6.257036238e-01 -1.058562135e+00 3.58 -1.913179952e-02 -3.169921133e-01 -5.749002616e-01 3.60 -4.379349418e-23 -1.988979356e-22 -2.049299892e-22 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 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 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