# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Aslam-I-Baskes-M-I-Dickel-D-E-et-al--Fe-Mn-Si-C # implementation = 2019--Aslam-I--Fe-Mn-Si-C--LAMMPS--ipr1 # composition = Mn3Si # 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 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 nan nan nan 0.90 6.110856333e+02 nan nan 0.92 5.615957306e+02 nan nan 0.94 5.168610411e+02 nan nan 0.96 4.763734247e+02 nan nan 0.98 4.396804461e+02 5.014053376e+02 nan 1.00 4.063791244e+02 4.657206666e+02 nan 1.02 3.761105698e+02 4.328853383e+02 8.921902889e+02 1.04 3.485553196e+02 4.026408836e+02 8.211755172e+02 1.06 3.234292273e+02 3.747554920e+02 7.562454042e+02 1.08 3.004797859e+02 3.490208956e+02 6.968621194e+02 1.10 2.794660688e+02 3.252496577e+02 6.425375103e+02 1.12 2.600078974e+02 3.032728150e+02 5.928278446e+02 1.14 2.418920631e+02 2.829378219e+02 5.473292951e+02 1.16 2.249987200e+02 2.641067480e+02 5.056740128e+02 1.18 2.092383366e+02 2.466547009e+02 4.675266856e+02 1.20 1.945403164e+02 2.304684396e+02 4.325814958e+02 1.22 1.808453043e+02 2.154451516e+02 4.005594060e+02 1.24 1.681001697e+02 2.014913762e+02 3.712057321e+02 1.26 1.562548952e+02 1.885220501e+02 3.442879573e+02 1.28 1.452607974e+02 1.764596627e+02 3.195937596e+02 1.30 1.350696519e+02 1.652335064e+02 2.969292293e+02 1.32 1.256334067e+02 1.547790092e+02 2.761172529e+02 1.34 1.169038767e+02 1.450361173e+02 2.569945143e+02 1.36 1.087948389e+02 1.358469397e+02 2.392574326e+02 1.38 1.012323731e+02 1.270885234e+02 2.226608327e+02 1.40 9.417688167e+01 1.187301049e+02 2.071033711e+02 1.42 8.759413286e+01 1.107545440e+02 1.925092693e+02 1.44 8.145379388e+01 1.031532454e+02 1.788203117e+02 1.46 7.572834168e+01 9.592230122e+01 1.659897074e+02 1.48 7.039232455e+01 8.905978860e+01 1.539777100e+02 1.50 6.542187613e+01 8.256394734e+01 1.427485824e+02 1.52 6.079440631e+01 7.643201913e+01 1.322685755e+02 1.54 5.648841048e+01 7.065957544e+01 1.225046579e+02 1.56 5.248336838e+01 6.524019870e+01 1.134237925e+02 1.58 4.875969612e+01 6.016541056e+01 1.049925897e+02 1.60 4.529872516e+01 5.542476704e+01 9.717722114e+01 1.62 4.208269809e+01 5.100605699e+01 8.994352225e+01 1.64 3.909477153e+01 4.689555679e+01 8.325720245e+01 1.66 3.631901996e+01 4.307830508e+01 7.708410729e+01 1.68 3.374043629e+01 3.953836779e+01 7.139049641e+01 1.70 3.134492713e+01 3.625906872e+01 6.614331384e+01 1.72 2.911930196e+01 3.322315776e+01 6.131043459e+01 1.74 2.705125555e+01 3.041287696e+01 5.686087800e+01 1.76 2.512934460e+01 2.780984798e+01 5.276498366e+01 1.78 2.334295863e+01 2.539460122e+01 4.899454816e+01 1.80 2.168228400e+01 2.314523745e+01 4.552292420e+01 1.82 2.013820903e+01 2.103338419e+01 4.232508404e+01 1.84 1.870219620e+01 1.900739015e+01 3.937765134e+01 1.86 1.736625480e+01 1.634602812e+01 3.665890477e+01 1.88 1.612292968e+01 1.494585926e+01 3.414875590e+01 1.90 1.496528750e+01 1.392222653e+01 3.182871127e+01 1.92 1.388689900e+01 1.297157336e+01 2.968181868e+01 1.94 1.288181750e+01 1.207914156e+01 2.769259947e+01 1.96 1.194455523e+01 1.124011265e+01 2.584697201e+01 1.98 1.107005811e+01 1.045121669e+01 2.413216888e+01 2.00 1.025367970e+01 9.709496135e+00 2.253665041e+01 2.02 9.491154815e+00 9.012100898e+00 2.105001681e+01 2.04 8.778573222e+00 8.356282994e+00 1.966292031e+01 2.06 8.112353825e+00 7.739425791e+00 1.836697894e+01 2.08 7.489219592e+00 7.159070579e+00 1.715469310e+01 2.10 6.906173447e+00 6.612933258e+00 1.601936538e+01 2.12 6.360475311e+00 6.098911751e+00 1.495502475e+01 2.14 5.849620733e+00 5.615085996e+00 1.395635509e+01 2.16 5.371332315e+00 5.159712607e+00 1.301862844e+01 2.18 4.923539856e+00 4.731216011e+00 1.213764314e+01 2.20 4.504345258e+00 4.328176451e+00 1.130966548e+01 2.22 4.111996573e+00 3.949292182e+00 1.053133934e+01 2.24 3.744856383e+00 3.593319911e+00 9.799568461e+00 2.26 3.401389574e+00 3.259063950e+00 9.111476343e+00 2.28 3.080156569e+00 2.945377446e+00 8.464387814e+00 2.30 2.779807050e+00 2.651162807e+00 7.855812456e+00 2.32 2.499114046e+00 2.375371500e+00 7.283429588e+00 2.34 2.259085566e+00 2.117003386e+00 6.745074696e+00 2.36 2.114681332e+00 1.875105721e+00 6.238727111e+00 2.38 2.048888224e+00 1.648771880e+00 5.762498817e+00 2.40 2.043153211e+00 1.437139937e+00 5.314624291e+00 2.42 2.081843561e+00 1.239391106e+00 4.893451241e+00 2.44 2.151892845e+00 1.054748108e+00 4.497432169e+00 2.46 2.242480570e+00 8.824735104e-01 4.125116678e+00 2.48 2.344743236e+00 7.218680351e-01 3.775144424e+00 2.50 2.451514591e+00 5.722688821e-01 3.446238689e+00 2.52 2.557092948e+00 4.330480761e-01 3.137200483e+00 2.54 2.657033440e+00 3.036108354e-01 2.846903127e+00 2.56 2.747963199e+00 1.833939935e-01 2.574287295e+00 2.58 2.827417526e+00 7.186446213e-02 2.318356442e+00 2.60 2.893695200e+00 -3.160023656e-02 2.077995628e+00 2.62 2.945731314e+00 -1.043124826e-01 1.887069016e+00 2.64 2.982988616e+00 -1.275508547e-01 1.773503913e+00 2.66 3.005359880e+00 -1.113187655e-01 1.722151492e+00 2.68 3.013079870e+00 -6.438045238e-02 1.719731637e+00 2.70 3.006652433e+00 5.747159740e-03 1.754844129e+00 2.72 2.986788069e+00 9.265875275e-02 1.817764188e+00 2.74 2.954350667e+00 1.909364101e-01 1.900255377e+00 2.76 2.910312374e+00 2.960360878e-01 1.995398608e+00 2.78 2.855715669e+00 4.041845066e-01 2.097436870e+00 2.80 2.791641769e+00 5.122854441e-01 2.201634127e+00 2.82 2.719184611e+00 6.178348816e-01 2.304147557e+00 2.84 2.639429690e+00 7.188445367e-01 2.401912429e+00 2.86 2.553437129e+00 8.137729060e-01 2.492538294e+00 2.88 2.462228402e+00 9.014634260e-01 2.574215892e+00 2.90 2.366776203e+00 9.810891810e-01 2.645633922e+00 2.92 2.267997008e+00 1.052103502e+00 2.705904673e+00 2.94 2.166745908e+00 1.114196110e+00 2.754498010e+00 2.96 2.063813373e+00 1.167254254e+00 2.791182867e+00 2.98 1.959923607e+00 1.211328376e+00 2.815975563e+00 3.00 1.855734237e+00 1.246601969e+00 2.829094418e+00 3.02 1.751837062e+00 1.273365171e+00 2.830919993e+00 3.04 1.648759677e+00 1.291991749e+00 2.821960434e+00 3.06 1.546967767e+00 1.302919177e+00 2.802821462e+00 3.08 1.446867920e+00 1.306631440e+00 2.774180470e+00 3.10 1.348810815e+00 1.303644319e+00 2.736764352e+00 3.12 1.253094678e+00 1.294492884e+00 2.691330649e+00 3.14 1.159968901e+00 1.279720947e+00 2.638651638e+00 3.16 1.069637744e+00 1.259872252e+00 2.579501055e+00 3.18 9.822640465e-01 1.235483218e+00 2.514643125e+00 3.20 8.979729054e-01 1.207077027e+00 2.444823637e+00 3.22 8.168552635e-01 1.175158907e+00 2.370762806e+00 3.24 7.389713765e-01 1.140212453e+00 2.293149692e+00 3.26 6.643541340e-01 1.102696844e+00 2.212637989e+00 3.28 5.930122127e-01 1.063044842e+00 2.129842958e+00 3.30 5.249330475e-01 1.021661456e+00 2.045339389e+00 3.32 4.600856135e-01 9.789231769e-01 1.959660404e+00 3.34 3.984230128e-01 9.351776818e-01 1.873296977e+00 3.36 3.398848658e-01 8.907439532e-01 1.786698072e+00 3.38 2.843995089e-01 8.459127181e-01 1.700271269e+00 3.40 2.318860030e-01 8.009471586e-01 1.614383788e+00 3.42 1.822559579e-01 7.560838429e-01 1.529363864e+00 3.44 1.354151813e-01 7.115338184e-01 1.445502345e+00 3.46 9.126516078e-02 6.674838341e-01 1.363054501e+00 3.48 4.970438633e-02 6.240976573e-01 1.282225692e+00 3.50 1.062952563e-02 5.815174458e-01 1.202833182e+00 3.52 -2.606354001e-02 5.398651596e-01 1.124278528e+00 3.54 -6.047880814e-02 4.992439849e-01 1.048362002e+00 3.56 -9.271936174e-02 4.597397487e-01 9.759411506e-01 3.58 -1.228862962e-01 4.214223184e-01 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